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)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/biophysics-e6483dbc/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/biophysics-e6483dbc/inputs/seq.fa: 1
curr_seq: _GCCGACUGGCCGCUGCGCUCGGCCGCCAAUCGUAGCGUGUCGGCCGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCCGACUGGCCGCUGCGCUCGGCCGCCAAUCGUAGCGUGUCGGCCGCC
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 48 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
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 245
n_atoms_counter: 245
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 48.000000 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)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/biophysics-e6483dbc/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/biophysics-e6483dbc/inputs/seq.fa: 1
curr_seq: _GCCGACUGGCCGCUGCGCUCGGCCGCCAAUCGUAGCGUGUCGGCCGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCCGACUGGCCGCUGCGCUCGGCCGCCAAUCGUAGCGUGUCGGCCGCC
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 48 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
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 245
n_atoms_counter: 245
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 48.000000 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)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/biophysics-e6483dbc/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/biophysics-e6483dbc/inputs/seq.fa: 1
curr_seq: _GCCGACUGGCCGCUGCGCUCGGCCGCCAAUCGUAGCGUGUCGGCCGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCCGACUGGCCGCUGCGCUCGGCCGCCAAUCGUAGCGUGUCGGCCGCC
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 48 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
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 245
n_atoms_counter: 245
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 48.000000 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)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/biophysics-e6483dbc/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/biophysics-e6483dbc/inputs/seq.fa: 1
curr_seq: _GCCGACUGGCCGCUGCGCUCGGCCGCCAAUCGUAGCGUGUCGGCCGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCCGACUGGCCGCUGCGCUCGGCCGCCAAUCGUAGCGUGUCGGCCGCC
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 48 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
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 245
n_atoms_counter: 245
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 48.000000 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)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/biophysics-e6483dbc/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/biophysics-e6483dbc/inputs/seq.fa: 1
curr_seq: _GCCGACUGGCCGCUGCGCUCGGCCGCCAAUCGUAGCGUGUCGGCCGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCCGACUGGCCGCUGCGCUCGGCCGCCAAUCGUAGCGUGUCGGCCGCC
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 48 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
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 245
n_atoms_counter: 245
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 48.000000 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)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/biophysics-e6483dbc/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/biophysics-e6483dbc/inputs/seq.fa: 1
curr_seq: _GCCGACUGGCCGCUGCGCUCGGCCGCCAAUCGUAGCGUGUCGGCCGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCCGACUGGCCGCUGCGCUCGGCCGCCAAUCGUAGCGUGUCGGCCGCC
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 48 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
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 245
n_atoms_counter: 245
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 48.000000 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)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/biophysics-e6483dbc/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/biophysics-e6483dbc/inputs/seq.fa: 1
curr_seq: _GCCGACUGGCCGCUGCGCUCGGCCGCCAAUCGUAGCGUGUCGGCCGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCCGACUGGCCGCUGCGCUCGGCCGCCAAUCGUAGCGUGUCGGCCGCC
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 48 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
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 245
n_atoms_counter: 245
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 48.000000 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)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/biophysics-e6483dbc/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/biophysics-e6483dbc/inputs/seq.fa: 1
curr_seq: _GCCGACUGGCCGCUGCGCUCGGCCGCCAAUCGUAGCGUGUCGGCCGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCCGACUGGCCGCUGCGCUCGGCCGCCAAUCGUAGCGUGUCGGCCGCC
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 48 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
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 245
n_atoms_counter: 245
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 48.000000 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)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/biophysics-e6483dbc/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/biophysics-e6483dbc/inputs/seq.fa: 1
curr_seq: _GCCGACUGGCCGCUGCGCUCGGCCGCCAAUCGUAGCGUGUCGGCCGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCCGACUGGCCGCUGCGCUCGGCCGCCAAUCGUAGCGUGUCGGCCGCC
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 48 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
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 245
n_atoms_counter: 245
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 48.000000 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)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/biophysics-e6483dbc/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/biophysics-e6483dbc/inputs/seq.fa: 1
curr_seq: _GCCGACUGGCCGCUGCGCUCGGCCGCCAAUCGUAGCGUGUCGGCCGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCCGACUGGCCGCUGCGCUCGGCCGCCAAUCGUAGCGUGUCGGCCGCC
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 48 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
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 245
n_atoms_counter: 245
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 48.000000 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: -190.205336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.205336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.205336 (E_RNA)
where:
Base-Base interactions energy: -3.040
where: short stacking energy: -3.040
Base-Backbone interact. energy: -0.000
local terms energy: -187.165656
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -21.135
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: 1
Temperature: 0.950000
Total energy: -190.205336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.205336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.205336 (E_RNA)
where:
Base-Base interactions energy: -3.040
where: short stacking energy: -3.040
Base-Backbone interact. energy: -0.000
local terms energy: -187.165656
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -21.135
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: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -190.205336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.205336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.205336 (E_RNA)
where:
Base-Base interactions energy: -3.040
where: short stacking energy: -3.040
Base-Backbone interact. energy: -0.000
local terms energy: -187.165656
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -21.135
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: 1
Temperature: 1.050000
Total energy: -190.205336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.205336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.205336 (E_RNA)
where:
Base-Base interactions energy: -3.040
where: short stacking energy: -3.040
Base-Backbone interact. energy: -0.000
local terms energy: -187.165656
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -21.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -190.205336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.205336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.205336 (E_RNA)
where:
Base-Base interactions energy: -3.040
where: short stacking energy: -3.040
Base-Backbone interact. energy: -0.000
local terms energy: -187.165656
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -21.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -190.205336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.205336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.205336 (E_RNA)
where:
Base-Base interactions energy: -3.040
where: short stacking energy: -3.040
Base-Backbone interact. energy: -0.000
local terms energy: -187.165656
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -21.135
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: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -190.205336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.205336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.205336 (E_RNA)
where:
Base-Base interactions energy: -3.040
where: short stacking energy: -3.040
Base-Backbone interact. energy: -0.000
local terms energy: -187.165656
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -21.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -190.205336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.205336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.205336 (E_RNA)
where:
Base-Base interactions energy: -3.040
where: short stacking energy: -3.040
Base-Backbone interact. energy: -0.000
local terms energy: -187.165656
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -21.135
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: 1
Temperature: 1.300000
Total energy: -190.205336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.205336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.205336 (E_RNA)
where:
Base-Base interactions energy: -3.040
where: short stacking energy: -3.040
Base-Backbone interact. energy: -0.000
local terms energy: -187.165656
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -21.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -190.205336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.205336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.205336 (E_RNA)
where:
Base-Base interactions energy: -3.040
where: short stacking energy: -3.040
Base-Backbone interact. energy: -0.000
local terms energy: -187.165656
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -21.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -282.831561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.831561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.831561 (E_RNA)
where:
Base-Base interactions energy: -131.820
where: short stacking energy: -131.820
Base-Backbone interact. energy: -0.027
local terms energy: -150.984439
where:
bonds (distance) C4'-P energy: -32.487
bonds (distance) P-C4' energy: -34.812
flat angles C4'-P-C4' energy: -34.685
flat angles P-C4'-P energy: -22.799
tors. eta vs tors. theta energy: -26.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -275.448319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.448319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.448319 (E_RNA)
where:
Base-Base interactions energy: -123.186
where: short stacking energy: -120.575
Base-Backbone interact. energy: 0.795
local terms energy: -153.057502
where:
bonds (distance) C4'-P energy: -30.711
bonds (distance) P-C4' energy: -35.959
flat angles C4'-P-C4' energy: -34.952
flat angles P-C4'-P energy: -23.699
tors. eta vs tors. theta energy: -27.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -247.339709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.339709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.339709 (E_RNA)
where:
Base-Base interactions energy: -112.307
where: short stacking energy: -112.307
Base-Backbone interact. energy: -0.111
local terms energy: -134.921127
where:
bonds (distance) C4'-P energy: -33.659
bonds (distance) P-C4' energy: -22.647
flat angles C4'-P-C4' energy: -30.243
flat angles P-C4'-P energy: -20.024
tors. eta vs tors. theta energy: -28.349
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: 2
Temperature: 1.050000
Total energy: -276.642199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.642199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.642199 (E_RNA)
where:
Base-Base interactions energy: -131.717
where: short stacking energy: -119.191
Base-Backbone interact. energy: -0.065
local terms energy: -144.860142
where:
bonds (distance) C4'-P energy: -29.481
bonds (distance) P-C4' energy: -31.583
flat angles C4'-P-C4' energy: -27.746
flat angles P-C4'-P energy: -26.374
tors. eta vs tors. theta energy: -29.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -296.809430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.809430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.809430 (E_RNA)
where:
Base-Base interactions energy: -141.405
where: short stacking energy: -107.688
Base-Backbone interact. energy: -1.245
local terms energy: -154.159440
where:
bonds (distance) C4'-P energy: -34.655
bonds (distance) P-C4' energy: -35.448
flat angles C4'-P-C4' energy: -34.141
flat angles P-C4'-P energy: -16.184
tors. eta vs tors. theta energy: -33.731
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: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -243.940082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.940082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.940082 (E_RNA)
where:
Base-Base interactions energy: -112.065
where: short stacking energy: -101.001
Base-Backbone interact. energy: 0.181
local terms energy: -132.056777
where:
bonds (distance) C4'-P energy: -31.547
bonds (distance) P-C4' energy: -31.440
flat angles C4'-P-C4' energy: -28.456
flat angles P-C4'-P energy: -17.323
tors. eta vs tors. theta energy: -23.291
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: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -203.391106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.391106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.391106 (E_RNA)
where:
Base-Base interactions energy: -98.130
where: short stacking energy: -90.411
Base-Backbone interact. energy: 0.037
local terms energy: -105.297676
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -26.923
flat angles C4'-P-C4' energy: -22.523
flat angles P-C4'-P energy: -22.504
tors. eta vs tors. theta energy: -16.687
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: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -189.087958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.087958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.087958 (E_RNA)
where:
Base-Base interactions energy: -2.901
where: short stacking energy: -2.901
Base-Backbone interact. energy: -0.000
local terms energy: -186.187272
where:
bonds (distance) C4'-P energy: -46.520
bonds (distance) P-C4' energy: -43.831
flat angles C4'-P-C4' energy: -34.658
flat angles P-C4'-P energy: -40.277
tors. eta vs tors. theta energy: -20.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -189.089209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.089209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.089209 (E_RNA)
where:
Base-Base interactions energy: -2.902
where: short stacking energy: -2.902
Base-Backbone interact. energy: -0.000
local terms energy: -186.187272
where:
bonds (distance) C4'-P energy: -46.520
bonds (distance) P-C4' energy: -43.831
flat angles C4'-P-C4' energy: -34.658
flat angles P-C4'-P energy: -40.277
tors. eta vs tors. theta energy: -20.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -189.090468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.090468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.090468 (E_RNA)
where:
Base-Base interactions energy: -2.903
where: short stacking energy: -2.903
Base-Backbone interact. energy: -0.000
local terms energy: -186.187272
where:
bonds (distance) C4'-P energy: -46.520
bonds (distance) P-C4' energy: -43.831
flat angles C4'-P-C4' energy: -34.658
flat angles P-C4'-P energy: -40.277
tors. eta vs tors. theta energy: -20.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -342.017796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.017796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.017796 (E_RNA)
where:
Base-Base interactions energy: -198.665
where: short stacking energy: -130.539
Base-Backbone interact. energy: -0.872
local terms energy: -142.480619
where:
bonds (distance) C4'-P energy: -26.395
bonds (distance) P-C4' energy: -30.794
flat angles C4'-P-C4' energy: -31.400
flat angles P-C4'-P energy: -21.385
tors. eta vs tors. theta energy: -32.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -316.122408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.122408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.122408 (E_RNA)
where:
Base-Base interactions energy: -167.217
where: short stacking energy: -130.747
Base-Backbone interact. energy: -1.519
local terms energy: -147.385955
where:
bonds (distance) C4'-P energy: -30.160
bonds (distance) P-C4' energy: -34.841
flat angles C4'-P-C4' energy: -35.494
flat angles P-C4'-P energy: -15.973
tors. eta vs tors. theta energy: -30.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -386.433063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.433063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.433063 (E_RNA)
where:
Base-Base interactions energy: -255.869
where: short stacking energy: -110.015
Base-Backbone interact. energy: -0.427
local terms energy: -130.137137
where:
bonds (distance) C4'-P energy: -34.317
bonds (distance) P-C4' energy: -31.067
flat angles C4'-P-C4' energy: -26.689
flat angles P-C4'-P energy: -22.501
tors. eta vs tors. theta energy: -15.564
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: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -317.738550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.738550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.738550 (E_RNA)
where:
Base-Base interactions energy: -179.758
where: short stacking energy: -96.667
Base-Backbone interact. energy: -1.952
local terms energy: -136.028373
where:
bonds (distance) C4'-P energy: -35.620
bonds (distance) P-C4' energy: -26.053
flat angles C4'-P-C4' energy: -25.872
flat angles P-C4'-P energy: -20.557
tors. eta vs tors. theta energy: -27.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -218.474291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.474291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.474291 (E_RNA)
where:
Base-Base interactions energy: -93.738
where: short stacking energy: -93.738
Base-Backbone interact. energy: -0.093
local terms energy: -124.643707
where:
bonds (distance) C4'-P energy: -28.384
bonds (distance) P-C4' energy: -31.332
flat angles C4'-P-C4' energy: -31.838
flat angles P-C4'-P energy: -15.156
tors. eta vs tors. theta energy: -17.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -249.920189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.920189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.920189 (E_RNA)
where:
Base-Base interactions energy: -133.912
where: short stacking energy: -76.738
Base-Backbone interact. energy: -0.713
local terms energy: -115.294662
where:
bonds (distance) C4'-P energy: -26.517
bonds (distance) P-C4' energy: -30.823
flat angles C4'-P-C4' energy: -27.250
flat angles P-C4'-P energy: -19.585
tors. eta vs tors. theta energy: -11.120
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: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -201.441975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.441975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.441975 (E_RNA)
where:
Base-Base interactions energy: -87.248
where: short stacking energy: -72.096
Base-Backbone interact. energy: 0.518
local terms energy: -114.712309
where:
bonds (distance) C4'-P energy: -34.134
bonds (distance) P-C4' energy: -27.128
flat angles C4'-P-C4' energy: -27.496
flat angles P-C4'-P energy: -15.915
tors. eta vs tors. theta energy: -10.039
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: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -188.778882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.778882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.778882 (E_RNA)
where:
Base-Base interactions energy: -76.578
where: short stacking energy: -71.703
Base-Backbone interact. energy: -0.473
local terms energy: -111.727419
where:
bonds (distance) C4'-P energy: -30.016
bonds (distance) P-C4' energy: -29.580
flat angles C4'-P-C4' energy: -25.590
flat angles P-C4'-P energy: -19.028
tors. eta vs tors. theta energy: -7.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -246.731128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.731128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.731128 (E_RNA)
where:
Base-Base interactions energy: -153.540
where: short stacking energy: -77.795
Base-Backbone interact. energy: 0.041
local terms energy: -93.231634
where:
bonds (distance) C4'-P energy: -22.658
bonds (distance) P-C4' energy: -26.692
flat angles C4'-P-C4' energy: -19.079
flat angles P-C4'-P energy: -12.676
tors. eta vs tors. theta energy: -12.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -145.052693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.052693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.052693 (E_RNA)
where:
Base-Base interactions energy: -67.800
where: short stacking energy: -39.261
Base-Backbone interact. energy: -0.695
local terms energy: -76.557635
where:
bonds (distance) C4'-P energy: -26.379
bonds (distance) P-C4' energy: -25.589
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -20.504
tors. eta vs tors. theta energy: 8.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -316.867575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.867575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.867575 (E_RNA)
where:
Base-Base interactions energy: -164.716
where: short stacking energy: -125.872
Base-Backbone interact. energy: -1.252
local terms energy: -150.899216
where:
bonds (distance) C4'-P energy: -32.305
bonds (distance) P-C4' energy: -33.111
flat angles C4'-P-C4' energy: -36.375
flat angles P-C4'-P energy: -23.232
tors. eta vs tors. theta energy: -25.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -409.295770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.295770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.295770 (E_RNA)
where:
Base-Base interactions energy: -254.200
where: short stacking energy: -128.150
Base-Backbone interact. energy: -1.102
local terms energy: -153.993848
where:
bonds (distance) C4'-P energy: -32.729
bonds (distance) P-C4' energy: -31.894
flat angles C4'-P-C4' energy: -34.382
flat angles P-C4'-P energy: -21.188
tors. eta vs tors. theta energy: -33.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -419.848789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.848789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.848789 (E_RNA)
where:
Base-Base interactions energy: -281.514
where: short stacking energy: -125.201
Base-Backbone interact. energy: -0.507
local terms energy: -137.827844
where:
bonds (distance) C4'-P energy: -29.135
bonds (distance) P-C4' energy: -32.652
flat angles C4'-P-C4' energy: -32.458
flat angles P-C4'-P energy: -20.195
tors. eta vs tors. theta energy: -23.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -387.083171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.083171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.083171 (E_RNA)
where:
Base-Base interactions energy: -246.939
where: short stacking energy: -116.792
Base-Backbone interact. energy: 0.443
local terms energy: -140.586903
where:
bonds (distance) C4'-P energy: -29.116
bonds (distance) P-C4' energy: -34.743
flat angles C4'-P-C4' energy: -30.212
flat angles P-C4'-P energy: -19.460
tors. eta vs tors. theta energy: -27.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -292.995920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.995920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.995920 (E_RNA)
where:
Base-Base interactions energy: -169.555
where: short stacking energy: -91.591
Base-Backbone interact. energy: -0.259
local terms energy: -123.181975
where:
bonds (distance) C4'-P energy: -29.535
bonds (distance) P-C4' energy: -25.373
flat angles C4'-P-C4' energy: -27.061
flat angles P-C4'-P energy: -24.699
tors. eta vs tors. theta energy: -16.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -294.826799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.826799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.826799 (E_RNA)
where:
Base-Base interactions energy: -178.722
where: short stacking energy: -102.792
Base-Backbone interact. energy: -0.311
local terms energy: -115.793308
where:
bonds (distance) C4'-P energy: -25.964
bonds (distance) P-C4' energy: -26.295
flat angles C4'-P-C4' energy: -26.369
flat angles P-C4'-P energy: -15.164
tors. eta vs tors. theta energy: -22.002
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: 7
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -223.988313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.988313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.988313 (E_RNA)
where:
Base-Base interactions energy: -105.032
where: short stacking energy: -85.683
Base-Backbone interact. energy: -1.820
local terms energy: -117.136062
where:
bonds (distance) C4'-P energy: -23.867
bonds (distance) P-C4' energy: -29.235
flat angles C4'-P-C4' energy: -29.102
flat angles P-C4'-P energy: -18.688
tors. eta vs tors. theta energy: -16.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -265.039490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.039490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.039490 (E_RNA)
where:
Base-Base interactions energy: -147.593
where: short stacking energy: -86.933
Base-Backbone interact. energy: 0.549
local terms energy: -117.995503
where:
bonds (distance) C4'-P energy: -25.204
bonds (distance) P-C4' energy: -31.445
flat angles C4'-P-C4' energy: -32.225
flat angles P-C4'-P energy: -19.335
tors. eta vs tors. theta energy: -9.787
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: 9, replica: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -267.626313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.626313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.626313 (E_RNA)
where:
Base-Base interactions energy: -152.732
where: short stacking energy: -86.987
Base-Backbone interact. energy: -0.456
local terms energy: -114.438128
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -28.733
flat angles C4'-P-C4' energy: -29.824
flat angles P-C4'-P energy: -22.378
tors. eta vs tors. theta energy: -17.227
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: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -153.421248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.421248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.421248 (E_RNA)
where:
Base-Base interactions energy: -76.728
where: short stacking energy: -51.141
Base-Backbone interact. energy: -0.882
local terms energy: -75.811858
where:
bonds (distance) C4'-P energy: -19.672
bonds (distance) P-C4' energy: -26.862
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -17.034
tors. eta vs tors. theta energy: 1.151
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: 1, replica: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -323.887455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.887455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.887455 (E_RNA)
where:
Base-Base interactions energy: -174.259
where: short stacking energy: -124.286
Base-Backbone interact. energy: 0.541
local terms energy: -150.170288
where:
bonds (distance) C4'-P energy: -28.869
bonds (distance) P-C4' energy: -30.516
flat angles C4'-P-C4' energy: -32.469
flat angles P-C4'-P energy: -27.552
tors. eta vs tors. theta energy: -30.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -470.124494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.124494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.124494 (E_RNA)
where:
Base-Base interactions energy: -331.578
where: short stacking energy: -135.326
Base-Backbone interact. energy: -0.593
local terms energy: -137.953392
where:
bonds (distance) C4'-P energy: -28.133
bonds (distance) P-C4' energy: -30.217
flat angles C4'-P-C4' energy: -26.765
flat angles P-C4'-P energy: -20.910
tors. eta vs tors. theta energy: -31.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -409.116168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.116168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.116168 (E_RNA)
where:
Base-Base interactions energy: -265.220
where: short stacking energy: -131.715
Base-Backbone interact. energy: -1.282
local terms energy: -142.613728
where:
bonds (distance) C4'-P energy: -30.541
bonds (distance) P-C4' energy: -30.737
flat angles C4'-P-C4' energy: -26.320
flat angles P-C4'-P energy: -18.433
tors. eta vs tors. theta energy: -36.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -392.397092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.397092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.397092 (E_RNA)
where:
Base-Base interactions energy: -258.246
where: short stacking energy: -99.621
Base-Backbone interact. energy: -0.148
local terms energy: -134.003289
where:
bonds (distance) C4'-P energy: -24.685
bonds (distance) P-C4' energy: -33.952
flat angles C4'-P-C4' energy: -34.588
flat angles P-C4'-P energy: -21.887
tors. eta vs tors. theta energy: -18.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -348.938389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.938389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.938389 (E_RNA)
where:
Base-Base interactions energy: -237.950
where: short stacking energy: -100.952
Base-Backbone interact. energy: -0.785
local terms energy: -110.203075
where:
bonds (distance) C4'-P energy: -20.578
bonds (distance) P-C4' energy: -36.361
flat angles C4'-P-C4' energy: -26.629
flat angles P-C4'-P energy: -15.933
tors. eta vs tors. theta energy: -10.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -308.248966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.248966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.248966 (E_RNA)
where:
Base-Base interactions energy: -175.093
where: short stacking energy: -105.874
Base-Backbone interact. energy: -0.278
local terms energy: -132.878665
where:
bonds (distance) C4'-P energy: -25.112
bonds (distance) P-C4' energy: -33.287
flat angles C4'-P-C4' energy: -27.464
flat angles P-C4'-P energy: -20.815
tors. eta vs tors. theta energy: -26.200
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: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -237.739690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.739690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.739690 (E_RNA)
where:
Base-Base interactions energy: -124.630
where: short stacking energy: -89.564
Base-Backbone interact. energy: 2.294
local terms energy: -115.403792
where:
bonds (distance) C4'-P energy: -33.786
bonds (distance) P-C4' energy: -29.818
flat angles C4'-P-C4' energy: -21.179
flat angles P-C4'-P energy: -16.906
tors. eta vs tors. theta energy: -13.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -237.748612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.748612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.748612 (E_RNA)
where:
Base-Base interactions energy: -133.910
where: short stacking energy: -79.768
Base-Backbone interact. energy: 0.397
local terms energy: -104.234848
where:
bonds (distance) C4'-P energy: -25.455
bonds (distance) P-C4' energy: -27.726
flat angles C4'-P-C4' energy: -23.080
flat angles P-C4'-P energy: -16.545
tors. eta vs tors. theta energy: -11.429
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: 5
Temperature: 1.300000
Total energy: -208.440509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.440509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.440509 (E_RNA)
where:
Base-Base interactions energy: -116.998
where: short stacking energy: -67.620
Base-Backbone interact. energy: -0.415
local terms energy: -91.027488
where:
bonds (distance) C4'-P energy: -27.325
bonds (distance) P-C4' energy: -23.394
flat angles C4'-P-C4' energy: -24.731
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -5.359
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: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -145.362143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.362143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.362143 (E_RNA)
where:
Base-Base interactions energy: -38.009
where: short stacking energy: -22.387
Base-Backbone interact. energy: 0.208
local terms energy: -107.561038
where:
bonds (distance) C4'-P energy: -25.829
bonds (distance) P-C4' energy: -33.611
flat angles C4'-P-C4' energy: -35.112
flat angles P-C4'-P energy: -15.317
tors. eta vs tors. theta energy: 2.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -486.585289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.585289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.585289 (E_RNA)
where:
Base-Base interactions energy: -332.670
where: short stacking energy: -146.991
Base-Backbone interact. energy: 0.190
local terms energy: -154.105343
where:
bonds (distance) C4'-P energy: -30.127
bonds (distance) P-C4' energy: -29.625
flat angles C4'-P-C4' energy: -37.926
flat angles P-C4'-P energy: -23.335
tors. eta vs tors. theta energy: -33.092
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: 6
Temperature: 0.950000
Total energy: -344.570467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.570467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.570467 (E_RNA)
where:
Base-Base interactions energy: -189.401
where: short stacking energy: -111.972
Base-Backbone interact. energy: -1.985
local terms energy: -153.184447
where:
bonds (distance) C4'-P energy: -29.494
bonds (distance) P-C4' energy: -36.020
flat angles C4'-P-C4' energy: -30.862
flat angles P-C4'-P energy: -25.400
tors. eta vs tors. theta energy: -31.409
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: 5
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -407.361792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.361792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.361792 (E_RNA)
where:
Base-Base interactions energy: -264.593
where: short stacking energy: -118.538
Base-Backbone interact. energy: -0.121
local terms energy: -142.647854
where:
bonds (distance) C4'-P energy: -25.054
bonds (distance) P-C4' energy: -34.050
flat angles C4'-P-C4' energy: -35.385
flat angles P-C4'-P energy: -24.942
tors. eta vs tors. theta energy: -23.217
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: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -400.733024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.733024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.733024 (E_RNA)
where:
Base-Base interactions energy: -262.086
where: short stacking energy: -156.739
Base-Backbone interact. energy: -0.997
local terms energy: -137.650258
where:
bonds (distance) C4'-P energy: -30.340
bonds (distance) P-C4' energy: -26.877
flat angles C4'-P-C4' energy: -25.961
flat angles P-C4'-P energy: -18.898
tors. eta vs tors. theta energy: -35.574
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: 5, replica: 6
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -412.263210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.263210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.263210 (E_RNA)
where:
Base-Base interactions energy: -294.920
where: short stacking energy: -120.744
Base-Backbone interact. energy: -0.738
local terms energy: -116.604454
where:
bonds (distance) C4'-P energy: -18.057
bonds (distance) P-C4' energy: -31.666
flat angles C4'-P-C4' energy: -34.161
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -20.568
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: 4
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -280.924051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.924051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.924051 (E_RNA)
where:
Base-Base interactions energy: -161.833
where: short stacking energy: -98.417
Base-Backbone interact. energy: 0.481
local terms energy: -119.571630
where:
bonds (distance) C4'-P energy: -29.476
bonds (distance) P-C4' energy: -27.936
flat angles C4'-P-C4' energy: -29.553
flat angles P-C4'-P energy: -16.727
tors. eta vs tors. theta energy: -15.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -265.610220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.610220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.610220 (E_RNA)
where:
Base-Base interactions energy: -145.672
where: short stacking energy: -102.760
Base-Backbone interact. energy: -0.315
local terms energy: -119.624015
where:
bonds (distance) C4'-P energy: -30.679
bonds (distance) P-C4' energy: -20.703
flat angles C4'-P-C4' energy: -31.133
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -23.083
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: 7
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -236.808010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.808010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.808010 (E_RNA)
where:
Base-Base interactions energy: -130.353
where: short stacking energy: -74.029
Base-Backbone interact. energy: -0.824
local terms energy: -105.630896
where:
bonds (distance) C4'-P energy: -29.469
bonds (distance) P-C4' energy: -27.400
flat angles C4'-P-C4' energy: -22.313
flat angles P-C4'-P energy: -21.702
tors. eta vs tors. theta energy: -4.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -174.629462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.629462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.629462 (E_RNA)
where:
Base-Base interactions energy: -77.331
where: short stacking energy: -66.940
Base-Backbone interact. energy: -0.545
local terms energy: -96.754072
where:
bonds (distance) C4'-P energy: -34.396
bonds (distance) P-C4' energy: -25.027
flat angles C4'-P-C4' energy: -28.427
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -0.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -201.346767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.346767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.346767 (E_RNA)
where:
Base-Base interactions energy: -113.529
where: short stacking energy: -52.106
Base-Backbone interact. energy: 0.115
local terms energy: -87.932373
where:
bonds (distance) C4'-P energy: -24.758
bonds (distance) P-C4' energy: -23.639
flat angles C4'-P-C4' energy: -23.370
flat angles P-C4'-P energy: -16.867
tors. eta vs tors. theta energy: 0.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -487.278491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.278491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.278491 (E_RNA)
where:
Base-Base interactions energy: -325.541
where: short stacking energy: -135.092
Base-Backbone interact. energy: -0.556
local terms energy: -161.181698
where:
bonds (distance) C4'-P energy: -33.503
bonds (distance) P-C4' energy: -31.095
flat angles C4'-P-C4' energy: -34.109
flat angles P-C4'-P energy: -27.476
tors. eta vs tors. theta energy: -34.998
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: 5
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -415.161248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.161248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.161248 (E_RNA)
where:
Base-Base interactions energy: -270.304
where: short stacking energy: -117.847
Base-Backbone interact. energy: -0.205
local terms energy: -144.652985
where:
bonds (distance) C4'-P energy: -32.021
bonds (distance) P-C4' energy: -30.273
flat angles C4'-P-C4' energy: -33.031
flat angles P-C4'-P energy: -16.955
tors. eta vs tors. theta energy: -32.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -330.463219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.463219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.463219 (E_RNA)
where:
Base-Base interactions energy: -175.236
where: short stacking energy: -102.634
Base-Backbone interact. energy: 0.096
local terms energy: -155.323218
where:
bonds (distance) C4'-P energy: -33.634
bonds (distance) P-C4' energy: -36.423
flat angles C4'-P-C4' energy: -32.311
flat angles P-C4'-P energy: -24.985
tors. eta vs tors. theta energy: -27.970
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: 6
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -438.428722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.428722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.428722 (E_RNA)
where:
Base-Base interactions energy: -312.150
where: short stacking energy: -138.433
Base-Backbone interact. energy: -1.601
local terms energy: -124.677465
where:
bonds (distance) C4'-P energy: -26.470
bonds (distance) P-C4' energy: -27.624
flat angles C4'-P-C4' energy: -29.355
flat angles P-C4'-P energy: -15.203
tors. eta vs tors. theta energy: -26.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -396.845331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.845331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.845331 (E_RNA)
where:
Base-Base interactions energy: -258.282
where: short stacking energy: -117.145
Base-Backbone interact. energy: 2.262
local terms energy: -140.824779
where:
bonds (distance) C4'-P energy: -34.764
bonds (distance) P-C4' energy: -31.088
flat angles C4'-P-C4' energy: -30.374
flat angles P-C4'-P energy: -18.421
tors. eta vs tors. theta energy: -26.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -277.706482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.706482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.706482 (E_RNA)
where:
Base-Base interactions energy: -139.346
where: short stacking energy: -81.164
Base-Backbone interact. energy: -1.028
local terms energy: -137.331694
where:
bonds (distance) C4'-P energy: -32.570
bonds (distance) P-C4' energy: -35.138
flat angles C4'-P-C4' energy: -32.997
flat angles P-C4'-P energy: -18.839
tors. eta vs tors. theta energy: -17.787
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: 4
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -276.655391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.655391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.655391 (E_RNA)
where:
Base-Base interactions energy: -147.626
where: short stacking energy: -89.942
Base-Backbone interact. energy: -0.418
local terms energy: -128.612103
where:
bonds (distance) C4'-P energy: -27.698
bonds (distance) P-C4' energy: -33.586
flat angles C4'-P-C4' energy: -27.876
flat angles P-C4'-P energy: -18.305
tors. eta vs tors. theta energy: -21.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -241.644950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.644950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.644950 (E_RNA)
where:
Base-Base interactions energy: -130.649
where: short stacking energy: -77.998
Base-Backbone interact. energy: -0.566
local terms energy: -110.429658
where:
bonds (distance) C4'-P energy: -28.919
bonds (distance) P-C4' energy: -21.272
flat angles C4'-P-C4' energy: -29.857
flat angles P-C4'-P energy: -18.924
tors. eta vs tors. theta energy: -11.458
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: 10
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -186.497413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.497413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.497413 (E_RNA)
where:
Base-Base interactions energy: -80.536
where: short stacking energy: -69.558
Base-Backbone interact. energy: -0.705
local terms energy: -105.255666
where:
bonds (distance) C4'-P energy: -24.161
bonds (distance) P-C4' energy: -36.970
flat angles C4'-P-C4' energy: -22.585
flat angles P-C4'-P energy: -18.289
tors. eta vs tors. theta energy: -3.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -158.916223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.916223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.916223 (E_RNA)
where:
Base-Base interactions energy: -56.846
where: short stacking energy: -56.846
Base-Backbone interact. energy: 0.176
local terms energy: -102.245552
where:
bonds (distance) C4'-P energy: -26.100
bonds (distance) P-C4' energy: -28.290
flat angles C4'-P-C4' energy: -28.387
flat angles P-C4'-P energy: -13.404
tors. eta vs tors. theta energy: -6.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -516.540601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.540601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.540601 (E_RNA)
where:
Base-Base interactions energy: -364.437
where: short stacking energy: -160.228
Base-Backbone interact. energy: 0.480
local terms energy: -152.583621
where:
bonds (distance) C4'-P energy: -18.743
bonds (distance) P-C4' energy: -28.863
flat angles C4'-P-C4' energy: -35.470
flat angles P-C4'-P energy: -26.505
tors. eta vs tors. theta energy: -43.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -451.917047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.917047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.917047 (E_RNA)
where:
Base-Base interactions energy: -300.531
where: short stacking energy: -128.805
Base-Backbone interact. energy: 0.454
local terms energy: -151.840683
where:
bonds (distance) C4'-P energy: -34.502
bonds (distance) P-C4' energy: -28.439
flat angles C4'-P-C4' energy: -34.991
flat angles P-C4'-P energy: -22.501
tors. eta vs tors. theta energy: -31.409
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: 6
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -452.894014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.894014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.894014 (E_RNA)
where:
Base-Base interactions energy: -318.651
where: short stacking energy: -124.015
Base-Backbone interact. energy: -0.905
local terms energy: -133.338457
where:
bonds (distance) C4'-P energy: -26.011
bonds (distance) P-C4' energy: -35.782
flat angles C4'-P-C4' energy: -28.731
flat angles P-C4'-P energy: -22.357
tors. eta vs tors. theta energy: -20.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -297.462392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.462392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.462392 (E_RNA)
where:
Base-Base interactions energy: -153.639
where: short stacking energy: -111.712
Base-Backbone interact. energy: -0.173
local terms energy: -143.650002
where:
bonds (distance) C4'-P energy: -29.097
bonds (distance) P-C4' energy: -33.607
flat angles C4'-P-C4' energy: -32.005
flat angles P-C4'-P energy: -24.659
tors. eta vs tors. theta energy: -24.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -454.798057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.798057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.798057 (E_RNA)
where:
Base-Base interactions energy: -309.934
where: short stacking energy: -132.498
Base-Backbone interact. energy: -0.244
local terms energy: -144.620198
where:
bonds (distance) C4'-P energy: -33.951
bonds (distance) P-C4' energy: -27.747
flat angles C4'-P-C4' energy: -31.713
flat angles P-C4'-P energy: -19.468
tors. eta vs tors. theta energy: -31.740
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: 8
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -265.465945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.465945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.465945 (E_RNA)
where:
Base-Base interactions energy: -153.722
where: short stacking energy: -70.734
Base-Backbone interact. energy: 0.760
local terms energy: -112.504123
where:
bonds (distance) C4'-P energy: -32.905
bonds (distance) P-C4' energy: -28.451
flat angles C4'-P-C4' energy: -23.555
flat angles P-C4'-P energy: -25.182
tors. eta vs tors. theta energy: -2.411
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: 7
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -292.034454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.034454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.034454 (E_RNA)
where:
Base-Base interactions energy: -192.049
where: short stacking energy: -89.059
Base-Backbone interact. energy: 1.931
local terms energy: -101.916382
where:
bonds (distance) C4'-P energy: -22.636
bonds (distance) P-C4' energy: -26.598
flat angles C4'-P-C4' energy: -23.650
flat angles P-C4'-P energy: -19.015
tors. eta vs tors. theta energy: -10.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -270.627015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.627015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.627015 (E_RNA)
where:
Base-Base interactions energy: -160.816
where: short stacking energy: -84.390
Base-Backbone interact. energy: -0.387
local terms energy: -109.423909
where:
bonds (distance) C4'-P energy: -28.467
bonds (distance) P-C4' energy: -33.061
flat angles C4'-P-C4' energy: -21.941
flat angles P-C4'-P energy: -17.700
tors. eta vs tors. theta energy: -8.256
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: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -174.407816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.407816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.407816 (E_RNA)
where:
Base-Base interactions energy: -61.100
where: short stacking energy: -58.593
Base-Backbone interact. energy: -0.305
local terms energy: -113.003203
where:
bonds (distance) C4'-P energy: -26.845
bonds (distance) P-C4' energy: -27.628
flat angles C4'-P-C4' energy: -32.991
flat angles P-C4'-P energy: -14.574
tors. eta vs tors. theta energy: -10.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -177.058342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.058342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.058342 (E_RNA)
where:
Base-Base interactions energy: -83.972
where: short stacking energy: -57.380
Base-Backbone interact. energy: 0.272
local terms energy: -93.357799
where:
bonds (distance) C4'-P energy: -28.881
bonds (distance) P-C4' energy: -27.315
flat angles C4'-P-C4' energy: -28.838
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -0.670
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: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -536.045811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.045811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.045811 (E_RNA)
where:
Base-Base interactions energy: -359.042
where: short stacking energy: -155.770
Base-Backbone interact. energy: -1.006
local terms energy: -175.998227
where:
bonds (distance) C4'-P energy: -34.441
bonds (distance) P-C4' energy: -34.013
flat angles C4'-P-C4' energy: -36.929
flat angles P-C4'-P energy: -25.014
tors. eta vs tors. theta energy: -45.601
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: 5
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -440.398112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.398112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.398112 (E_RNA)
where:
Base-Base interactions energy: -279.254
where: short stacking energy: -139.371
Base-Backbone interact. energy: -0.135
local terms energy: -161.009099
where:
bonds (distance) C4'-P energy: -28.859
bonds (distance) P-C4' energy: -33.320
flat angles C4'-P-C4' energy: -37.043
flat angles P-C4'-P energy: -26.736
tors. eta vs tors. theta energy: -35.051
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: 6
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -476.740194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.740194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.740194 (E_RNA)
where:
Base-Base interactions energy: -334.915
where: short stacking energy: -134.528
Base-Backbone interact. energy: -1.483
local terms energy: -140.342661
where:
bonds (distance) C4'-P energy: -25.281
bonds (distance) P-C4' energy: -30.537
flat angles C4'-P-C4' energy: -34.134
flat angles P-C4'-P energy: -19.916
tors. eta vs tors. theta energy: -30.474
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: 1
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -448.480058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.480058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.480058 (E_RNA)
where:
Base-Base interactions energy: -297.802
where: short stacking energy: -139.947
Base-Backbone interact. energy: -0.190
local terms energy: -150.487867
where:
bonds (distance) C4'-P energy: -27.653
bonds (distance) P-C4' energy: -36.217
flat angles C4'-P-C4' energy: -35.498
flat angles P-C4'-P energy: -20.340
tors. eta vs tors. theta energy: -30.779
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: 5, replica: 2
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -279.845521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.845521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.845521 (E_RNA)
where:
Base-Base interactions energy: -142.882
where: short stacking energy: -113.521
Base-Backbone interact. energy: -0.117
local terms energy: -136.846287
where:
bonds (distance) C4'-P energy: -24.848
bonds (distance) P-C4' energy: -28.522
flat angles C4'-P-C4' energy: -38.148
flat angles P-C4'-P energy: -14.752
tors. eta vs tors. theta energy: -30.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -333.639633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.639633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.639633 (E_RNA)
where:
Base-Base interactions energy: -216.540
where: short stacking energy: -98.449
Base-Backbone interact. energy: 2.039
local terms energy: -119.138532
where:
bonds (distance) C4'-P energy: -30.847
bonds (distance) P-C4' energy: -28.430
flat angles C4'-P-C4' energy: -23.752
flat angles P-C4'-P energy: -20.538
tors. eta vs tors. theta energy: -15.572
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: 9
Temperature: 1.200000
Total energy: -287.728710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.728710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.728710 (E_RNA)
where:
Base-Base interactions energy: -166.287
where: short stacking energy: -93.455
Base-Backbone interact. energy: -0.394
local terms energy: -121.048437
where:
bonds (distance) C4'-P energy: -29.631
bonds (distance) P-C4' energy: -31.815
flat angles C4'-P-C4' energy: -29.199
flat angles P-C4'-P energy: -20.776
tors. eta vs tors. theta energy: -9.627
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: 8, replica: 4
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -266.530117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.530117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.530117 (E_RNA)
where:
Base-Base interactions energy: -150.918
where: short stacking energy: -89.541
Base-Backbone interact. energy: -0.751
local terms energy: -114.861694
where:
bonds (distance) C4'-P energy: -25.822
bonds (distance) P-C4' energy: -27.842
flat angles C4'-P-C4' energy: -30.938
flat angles P-C4'-P energy: -15.586
tors. eta vs tors. theta energy: -14.674
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: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -176.568655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.568655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.568655 (E_RNA)
where:
Base-Base interactions energy: -68.160
where: short stacking energy: -66.467
Base-Backbone interact. energy: -0.413
local terms energy: -107.995978
where:
bonds (distance) C4'-P energy: -30.167
bonds (distance) P-C4' energy: -28.284
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -17.579
tors. eta vs tors. theta energy: -14.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -297.680693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.680693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.680693 (E_RNA)
where:
Base-Base interactions energy: -201.538
where: short stacking energy: -85.883
Base-Backbone interact. energy: -0.987
local terms energy: -95.156049
where:
bonds (distance) C4'-P energy: -20.809
bonds (distance) P-C4' energy: -27.974
flat angles C4'-P-C4' energy: -26.427
flat angles P-C4'-P energy: -14.287
tors. eta vs tors. theta energy: -5.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -537.138940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.138940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.138940 (E_RNA)
where:
Base-Base interactions energy: -376.136
where: short stacking energy: -157.745
Base-Backbone interact. energy: 1.367
local terms energy: -162.369569
where:
bonds (distance) C4'-P energy: -29.415
bonds (distance) P-C4' energy: -33.214
flat angles C4'-P-C4' energy: -33.803
flat angles P-C4'-P energy: -22.790
tors. eta vs tors. theta energy: -43.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -455.541639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.541639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.541639 (E_RNA)
where:
Base-Base interactions energy: -296.560
where: short stacking energy: -127.090
Base-Backbone interact. energy: -0.408
local terms energy: -158.573440
where:
bonds (distance) C4'-P energy: -30.722
bonds (distance) P-C4' energy: -33.166
flat angles C4'-P-C4' energy: -34.838
flat angles P-C4'-P energy: -24.539
tors. eta vs tors. theta energy: -35.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -462.504366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.504366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.504366 (E_RNA)
where:
Base-Base interactions energy: -308.960
where: short stacking energy: -151.422
Base-Backbone interact. energy: 0.116
local terms energy: -153.660323
where:
bonds (distance) C4'-P energy: -27.105
bonds (distance) P-C4' energy: -34.486
flat angles C4'-P-C4' energy: -32.250
flat angles P-C4'-P energy: -17.800
tors. eta vs tors. theta energy: -42.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -466.997448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.997448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.997448 (E_RNA)
where:
Base-Base interactions energy: -341.006
where: short stacking energy: -127.691
Base-Backbone interact. energy: -1.988
local terms energy: -124.003471
where:
bonds (distance) C4'-P energy: -19.666
bonds (distance) P-C4' energy: -37.996
flat angles C4'-P-C4' energy: -31.582
flat angles P-C4'-P energy: -14.875
tors. eta vs tors. theta energy: -19.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -419.506311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.506311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.506311 (E_RNA)
where:
Base-Base interactions energy: -279.695
where: short stacking energy: -124.546
Base-Backbone interact. energy: 0.116
local terms energy: -139.928074
where:
bonds (distance) C4'-P energy: -26.859
bonds (distance) P-C4' energy: -27.946
flat angles C4'-P-C4' energy: -28.881
flat angles P-C4'-P energy: -24.596
tors. eta vs tors. theta energy: -31.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -245.385525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.385525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.385525 (E_RNA)
where:
Base-Base interactions energy: -136.515
where: short stacking energy: -96.474
Base-Backbone interact. energy: 2.543
local terms energy: -111.413870
where:
bonds (distance) C4'-P energy: -30.833
bonds (distance) P-C4' energy: -29.965
flat angles C4'-P-C4' energy: -25.332
flat angles P-C4'-P energy: -17.466
tors. eta vs tors. theta energy: -7.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -296.646813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.646813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.646813 (E_RNA)
where:
Base-Base interactions energy: -188.308
where: short stacking energy: -108.872
Base-Backbone interact. energy: 1.040
local terms energy: -109.378708
where:
bonds (distance) C4'-P energy: -23.628
bonds (distance) P-C4' energy: -28.473
flat angles C4'-P-C4' energy: -29.592
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -19.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -250.345906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.345906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.345906 (E_RNA)
where:
Base-Base interactions energy: -146.315
where: short stacking energy: -64.336
Base-Backbone interact. energy: 2.391
local terms energy: -106.421804
where:
bonds (distance) C4'-P energy: -26.006
bonds (distance) P-C4' energy: -34.924
flat angles C4'-P-C4' energy: -22.832
flat angles P-C4'-P energy: -13.245
tors. eta vs tors. theta energy: -9.415
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: 10
Temperature: 1.300000
Total energy: -358.413515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.413515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.413515 (E_RNA)
where:
Base-Base interactions energy: -229.495
where: short stacking energy: -104.186
Base-Backbone interact. energy: -0.250
local terms energy: -128.668700
where:
bonds (distance) C4'-P energy: -24.350
bonds (distance) P-C4' energy: -24.321
flat angles C4'-P-C4' energy: -31.135
flat angles P-C4'-P energy: -23.100
tors. eta vs tors. theta energy: -25.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -153.661588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.661588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.661588 (E_RNA)
where:
Base-Base interactions energy: -65.648
where: short stacking energy: -57.626
Base-Backbone interact. energy: -0.595
local terms energy: -87.418228
where:
bonds (distance) C4'-P energy: -33.549
bonds (distance) P-C4' energy: -24.478
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -0.348
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: 1, replica: 3
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -547.314993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.314993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.314993 (E_RNA)
where:
Base-Base interactions energy: -393.074
where: short stacking energy: -151.483
Base-Backbone interact. energy: -0.251
local terms energy: -153.990679
where:
bonds (distance) C4'-P energy: -27.738
bonds (distance) P-C4' energy: -31.208
flat angles C4'-P-C4' energy: -33.926
flat angles P-C4'-P energy: -21.099
tors. eta vs tors. theta energy: -40.020
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: 2, replica: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -488.044487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.044487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.044487 (E_RNA)
where:
Base-Base interactions energy: -334.184
where: short stacking energy: -138.449
Base-Backbone interact. energy: -0.181
local terms energy: -153.679400
where:
bonds (distance) C4'-P energy: -30.689
bonds (distance) P-C4' energy: -31.976
flat angles C4'-P-C4' energy: -35.054
flat angles P-C4'-P energy: -20.802
tors. eta vs tors. theta energy: -35.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -467.967276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.967276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.967276 (E_RNA)
where:
Base-Base interactions energy: -315.978
where: short stacking energy: -161.482
Base-Backbone interact. energy: -0.560
local terms energy: -151.429316
where:
bonds (distance) C4'-P energy: -31.870
bonds (distance) P-C4' energy: -25.729
flat angles C4'-P-C4' energy: -37.953
flat angles P-C4'-P energy: -20.784
tors. eta vs tors. theta energy: -35.094
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: 6
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -505.910045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.910045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.910045 (E_RNA)
where:
Base-Base interactions energy: -359.054
where: short stacking energy: -139.169
Base-Backbone interact. energy: -1.238
local terms energy: -145.618228
where:
bonds (distance) C4'-P energy: -20.911
bonds (distance) P-C4' energy: -27.599
flat angles C4'-P-C4' energy: -36.884
flat angles P-C4'-P energy: -25.034
tors. eta vs tors. theta energy: -35.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -484.986580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.986580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.986580 (E_RNA)
where:
Base-Base interactions energy: -323.270
where: short stacking energy: -147.452
Base-Backbone interact. energy: -0.285
local terms energy: -161.431472
where:
bonds (distance) C4'-P energy: -28.852
bonds (distance) P-C4' energy: -34.204
flat angles C4'-P-C4' energy: -30.193
flat angles P-C4'-P energy: -25.279
tors. eta vs tors. theta energy: -42.904
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: 4
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -333.902461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.902461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.902461 (E_RNA)
where:
Base-Base interactions energy: -205.750
where: short stacking energy: -102.550
Base-Backbone interact. energy: -0.105
local terms energy: -128.047788
where:
bonds (distance) C4'-P energy: -33.380
bonds (distance) P-C4' energy: -30.000
flat angles C4'-P-C4' energy: -27.688
flat angles P-C4'-P energy: -18.064
tors. eta vs tors. theta energy: -18.915
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: 2
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -236.933205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.933205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.933205 (E_RNA)
where:
Base-Base interactions energy: -111.282
where: short stacking energy: -72.341
Base-Backbone interact. energy: -0.493
local terms energy: -125.158369
where:
bonds (distance) C4'-P energy: -28.008
bonds (distance) P-C4' energy: -29.469
flat angles C4'-P-C4' energy: -32.149
flat angles P-C4'-P energy: -13.933
tors. eta vs tors. theta energy: -21.599
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: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -353.269518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.269518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.269518 (E_RNA)
where:
Base-Base interactions energy: -230.649
where: short stacking energy: -101.173
Base-Backbone interact. energy: -0.722
local terms energy: -121.898057
where:
bonds (distance) C4'-P energy: -25.546
bonds (distance) P-C4' energy: -29.399
flat angles C4'-P-C4' energy: -30.471
flat angles P-C4'-P energy: -19.652
tors. eta vs tors. theta energy: -16.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -260.265718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.265718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.265718 (E_RNA)
where:
Base-Base interactions energy: -159.315
where: short stacking energy: -76.880
Base-Backbone interact. energy: -0.986
local terms energy: -99.964074
where:
bonds (distance) C4'-P energy: -32.458
bonds (distance) P-C4' energy: -30.265
flat angles C4'-P-C4' energy: -27.428
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -2.788
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: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -168.397727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.397727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.397727 (E_RNA)
where:
Base-Base interactions energy: -72.315
where: short stacking energy: -58.198
Base-Backbone interact. energy: -0.162
local terms energy: -95.921266
where:
bonds (distance) C4'-P energy: -26.622
bonds (distance) P-C4' energy: -29.361
flat angles C4'-P-C4' energy: -20.059
flat angles P-C4'-P energy: -8.334
tors. eta vs tors. theta energy: -11.545
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: 3
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -553.710626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.710626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.710626 (E_RNA)
where:
Base-Base interactions energy: -396.818
where: short stacking energy: -160.717
Base-Backbone interact. energy: -0.273
local terms energy: -156.619959
where:
bonds (distance) C4'-P energy: -31.876
bonds (distance) P-C4' energy: -29.720
flat angles C4'-P-C4' energy: -32.220
flat angles P-C4'-P energy: -21.545
tors. eta vs tors. theta energy: -41.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -502.416248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.416248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.416248 (E_RNA)
where:
Base-Base interactions energy: -354.140
where: short stacking energy: -157.756
Base-Backbone interact. energy: 3.085
local terms energy: -151.361504
where:
bonds (distance) C4'-P energy: -28.223
bonds (distance) P-C4' energy: -28.172
flat angles C4'-P-C4' energy: -31.062
flat angles P-C4'-P energy: -23.227
tors. eta vs tors. theta energy: -40.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -516.747879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.747879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.747879 (E_RNA)
where:
Base-Base interactions energy: -359.901
where: short stacking energy: -148.164
Base-Backbone interact. energy: -0.627
local terms energy: -156.219874
where:
bonds (distance) C4'-P energy: -31.400
bonds (distance) P-C4' energy: -28.607
flat angles C4'-P-C4' energy: -32.133
flat angles P-C4'-P energy: -25.754
tors. eta vs tors. theta energy: -38.326
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: 5
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -472.414140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.414140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.414140 (E_RNA)
where:
Base-Base interactions energy: -325.379
where: short stacking energy: -146.052
Base-Backbone interact. energy: 0.302
local terms energy: -147.337279
where:
bonds (distance) C4'-P energy: -22.084
bonds (distance) P-C4' energy: -31.322
flat angles C4'-P-C4' energy: -34.061
flat angles P-C4'-P energy: -25.564
tors. eta vs tors. theta energy: -34.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -481.082987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.082987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.082987 (E_RNA)
where:
Base-Base interactions energy: -333.339
where: short stacking energy: -139.610
Base-Backbone interact. energy: -0.510
local terms energy: -147.233527
where:
bonds (distance) C4'-P energy: -27.513
bonds (distance) P-C4' energy: -35.651
flat angles C4'-P-C4' energy: -33.640
flat angles P-C4'-P energy: -21.450
tors. eta vs tors. theta energy: -28.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -343.481851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.481851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.481851 (E_RNA)
where:
Base-Base interactions energy: -206.890
where: short stacking energy: -102.252
Base-Backbone interact. energy: -0.152
local terms energy: -136.439648
where:
bonds (distance) C4'-P energy: -29.736
bonds (distance) P-C4' energy: -31.123
flat angles C4'-P-C4' energy: -32.391
flat angles P-C4'-P energy: -16.855
tors. eta vs tors. theta energy: -26.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -360.408779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.408779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.408779 (E_RNA)
where:
Base-Base interactions energy: -239.275
where: short stacking energy: -111.722
Base-Backbone interact. energy: 1.555
local terms energy: -122.688799
where:
bonds (distance) C4'-P energy: -27.342
bonds (distance) P-C4' energy: -30.379
flat angles C4'-P-C4' energy: -31.806
flat angles P-C4'-P energy: -17.082
tors. eta vs tors. theta energy: -16.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -237.917873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.917873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.917873 (E_RNA)
where:
Base-Base interactions energy: -130.953
where: short stacking energy: -83.022
Base-Backbone interact. energy: -0.248
local terms energy: -106.717354
where:
bonds (distance) C4'-P energy: -37.628
bonds (distance) P-C4' energy: -24.709
flat angles C4'-P-C4' energy: -24.842
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -10.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -276.815428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.815428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.815428 (E_RNA)
where:
Base-Base interactions energy: -176.216
where: short stacking energy: -82.357
Base-Backbone interact. energy: 1.942
local terms energy: -102.541093
where:
bonds (distance) C4'-P energy: -23.450
bonds (distance) P-C4' energy: -32.310
flat angles C4'-P-C4' energy: -21.218
flat angles P-C4'-P energy: -19.403
tors. eta vs tors. theta energy: -6.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -174.268474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.268474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.268474 (E_RNA)
where:
Base-Base interactions energy: -84.670
where: short stacking energy: -66.199
Base-Backbone interact. energy: -0.223
local terms energy: -89.375877
where:
bonds (distance) C4'-P energy: -25.943
bonds (distance) P-C4' energy: -25.264
flat angles C4'-P-C4' energy: -23.976
flat angles P-C4'-P energy: -16.752
tors. eta vs tors. theta energy: 2.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -554.895698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.895698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.895698 (E_RNA)
where:
Base-Base interactions energy: -391.317
where: short stacking energy: -150.402
Base-Backbone interact. energy: -1.315
local terms energy: -162.263907
where:
bonds (distance) C4'-P energy: -35.546
bonds (distance) P-C4' energy: -32.255
flat angles C4'-P-C4' energy: -32.510
flat angles P-C4'-P energy: -23.108
tors. eta vs tors. theta energy: -38.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -489.126807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.126807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.126807 (E_RNA)
where:
Base-Base interactions energy: -341.557
where: short stacking energy: -156.382
Base-Backbone interact. energy: -1.209
local terms energy: -146.361204
where:
bonds (distance) C4'-P energy: -25.678
bonds (distance) P-C4' energy: -25.893
flat angles C4'-P-C4' energy: -37.191
flat angles P-C4'-P energy: -17.598
tors. eta vs tors. theta energy: -40.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -515.981218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.981218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.981218 (E_RNA)
where:
Base-Base interactions energy: -357.364
where: short stacking energy: -149.205
Base-Backbone interact. energy: -0.530
local terms energy: -158.087677
where:
bonds (distance) C4'-P energy: -22.199
bonds (distance) P-C4' energy: -30.655
flat angles C4'-P-C4' energy: -35.620
flat angles P-C4'-P energy: -23.389
tors. eta vs tors. theta energy: -46.224
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: 7
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -519.558303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.558303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.558303 (E_RNA)
where:
Base-Base interactions energy: -362.109
where: short stacking energy: -137.569
Base-Backbone interact. energy: -0.115
local terms energy: -157.334425
where:
bonds (distance) C4'-P energy: -29.145
bonds (distance) P-C4' energy: -32.929
flat angles C4'-P-C4' energy: -34.901
flat angles P-C4'-P energy: -23.770
tors. eta vs tors. theta energy: -36.589
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: 5, replica: 5
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -530.580889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.580889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.580889 (E_RNA)
where:
Base-Base interactions energy: -368.833
where: short stacking energy: -155.651
Base-Backbone interact. energy: 0.338
local terms energy: -162.086782
where:
bonds (distance) C4'-P energy: -28.967
bonds (distance) P-C4' energy: -31.635
flat angles C4'-P-C4' energy: -36.312
flat angles P-C4'-P energy: -23.117
tors. eta vs tors. theta energy: -42.057
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: 6, replica: 4
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -350.016201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.016201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.016201 (E_RNA)
where:
Base-Base interactions energy: -216.834
where: short stacking energy: -112.373
Base-Backbone interact. energy: -1.157
local terms energy: -132.024442
where:
bonds (distance) C4'-P energy: -27.779
bonds (distance) P-C4' energy: -27.167
flat angles C4'-P-C4' energy: -33.018
flat angles P-C4'-P energy: -17.202
tors. eta vs tors. theta energy: -26.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -382.426742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.426742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.426742 (E_RNA)
where:
Base-Base interactions energy: -247.846
where: short stacking energy: -103.426
Base-Backbone interact. energy: -0.178
local terms energy: -134.402951
where:
bonds (distance) C4'-P energy: -31.804
bonds (distance) P-C4' energy: -23.297
flat angles C4'-P-C4' energy: -31.519
flat angles P-C4'-P energy: -24.390
tors. eta vs tors. theta energy: -23.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -290.953824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.953824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.953824 (E_RNA)
where:
Base-Base interactions energy: -186.663
where: short stacking energy: -73.627
Base-Backbone interact. energy: -0.954
local terms energy: -103.337154
where:
bonds (distance) C4'-P energy: -25.242
bonds (distance) P-C4' energy: -21.347
flat angles C4'-P-C4' energy: -29.610
flat angles P-C4'-P energy: -24.268
tors. eta vs tors. theta energy: -2.870
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: 2
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -207.072944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.072944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.072944 (E_RNA)
where:
Base-Base interactions energy: -102.595
where: short stacking energy: -52.729
Base-Backbone interact. energy: 4.842
local terms energy: -109.319687
where:
bonds (distance) C4'-P energy: -24.778
bonds (distance) P-C4' energy: -29.215
flat angles C4'-P-C4' energy: -33.336
flat angles P-C4'-P energy: -21.844
tors. eta vs tors. theta energy: -0.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -159.737303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.737303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.737303 (E_RNA)
where:
Base-Base interactions energy: -77.379
where: short stacking energy: -34.749
Base-Backbone interact. energy: 1.565
local terms energy: -83.922733
where:
bonds (distance) C4'-P energy: -29.381
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -30.845
flat angles P-C4'-P energy: -15.896
tors. eta vs tors. theta energy: 8.036
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: 3
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -552.748011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.748011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.748011 (E_RNA)
where:
Base-Base interactions energy: -389.276
where: short stacking energy: -152.234
Base-Backbone interact. energy: -1.121
local terms energy: -162.350747
where:
bonds (distance) C4'-P energy: -29.945
bonds (distance) P-C4' energy: -32.727
flat angles C4'-P-C4' energy: -33.698
flat angles P-C4'-P energy: -24.780
tors. eta vs tors. theta energy: -41.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -496.788225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.788225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.788225 (E_RNA)
where:
Base-Base interactions energy: -333.192
where: short stacking energy: -148.919
Base-Backbone interact. energy: 2.005
local terms energy: -165.601002
where:
bonds (distance) C4'-P energy: -27.897
bonds (distance) P-C4' energy: -35.034
flat angles C4'-P-C4' energy: -38.798
flat angles P-C4'-P energy: -23.702
tors. eta vs tors. theta energy: -40.171
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: 6
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -523.747929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.747929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.747929 (E_RNA)
where:
Base-Base interactions energy: -364.829
where: short stacking energy: -143.859
Base-Backbone interact. energy: -0.543
local terms energy: -158.375381
where:
bonds (distance) C4'-P energy: -29.397
bonds (distance) P-C4' energy: -31.344
flat angles C4'-P-C4' energy: -36.217
flat angles P-C4'-P energy: -25.056
tors. eta vs tors. theta energy: -36.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -544.194036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.194036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.194036 (E_RNA)
where:
Base-Base interactions energy: -391.640
where: short stacking energy: -154.855
Base-Backbone interact. energy: -1.459
local terms energy: -151.095122
where:
bonds (distance) C4'-P energy: -27.891
bonds (distance) P-C4' energy: -31.994
flat angles C4'-P-C4' energy: -33.701
flat angles P-C4'-P energy: -18.184
tors. eta vs tors. theta energy: -39.326
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: 5
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -540.637173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.637173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.637173 (E_RNA)
where:
Base-Base interactions energy: -373.761
where: short stacking energy: -162.621
Base-Backbone interact. energy: -0.110
local terms energy: -166.765360
where:
bonds (distance) C4'-P energy: -29.585
bonds (distance) P-C4' energy: -29.255
flat angles C4'-P-C4' energy: -34.846
flat angles P-C4'-P energy: -27.722
tors. eta vs tors. theta energy: -45.358
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: 14
Temperature: 1.150000
Total energy: -353.205718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.205718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.205718 (E_RNA)
where:
Base-Base interactions energy: -214.701
where: short stacking energy: -111.713
Base-Backbone interact. energy: -0.526
local terms energy: -137.978160
where:
bonds (distance) C4'-P energy: -32.930
bonds (distance) P-C4' energy: -26.348
flat angles C4'-P-C4' energy: -33.849
flat angles P-C4'-P energy: -18.961
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: 7, replica: 8
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -369.515956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.515956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.515956 (E_RNA)
where:
Base-Base interactions energy: -246.367
where: short stacking energy: -109.853
Base-Backbone interact. energy: 0.176
local terms energy: -123.324644
where:
bonds (distance) C4'-P energy: -28.927
bonds (distance) P-C4' energy: -29.796
flat angles C4'-P-C4' energy: -25.000
flat angles P-C4'-P energy: -20.809
tors. eta vs tors. theta energy: -18.792
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: 8, replica: 9
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -377.999848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.999848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.999848 (E_RNA)
where:
Base-Base interactions energy: -244.535
where: short stacking energy: -102.793
Base-Backbone interact. energy: -0.618
local terms energy: -132.847016
where:
bonds (distance) C4'-P energy: -24.810
bonds (distance) P-C4' energy: -28.471
flat angles C4'-P-C4' energy: -30.878
flat angles P-C4'-P energy: -23.515
tors. eta vs tors. theta energy: -25.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -249.180268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.180268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.180268 (E_RNA)
where:
Base-Base interactions energy: -139.601
where: short stacking energy: -92.936
Base-Backbone interact. energy: -0.468
local terms energy: -109.111163
where:
bonds (distance) C4'-P energy: -24.444
bonds (distance) P-C4' energy: -28.966
flat angles C4'-P-C4' energy: -26.975
flat angles P-C4'-P energy: -14.321
tors. eta vs tors. theta energy: -14.405
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: 14
Temperature: 1.350000
Total energy: -151.070961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.070961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.070961 (E_RNA)
where:
Base-Base interactions energy: -68.935
where: short stacking energy: -54.920
Base-Backbone interact. energy: -0.273
local terms energy: -81.863699
where:
bonds (distance) C4'-P energy: -27.369
bonds (distance) P-C4' energy: -30.779
flat angles C4'-P-C4' energy: -17.981
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: 7.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -562.745534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.745534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.745534 (E_RNA)
where:
Base-Base interactions energy: -390.757
where: short stacking energy: -149.982
Base-Backbone interact. energy: -0.202
local terms energy: -171.786780
where:
bonds (distance) C4'-P energy: -36.750
bonds (distance) P-C4' energy: -36.624
flat angles C4'-P-C4' energy: -35.804
flat angles P-C4'-P energy: -24.258
tors. eta vs tors. theta energy: -38.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -531.529260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.529260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.529260 (E_RNA)
where:
Base-Base interactions energy: -366.456
where: short stacking energy: -152.964
Base-Backbone interact. energy: -0.653
local terms energy: -164.420868
where:
bonds (distance) C4'-P energy: -36.594
bonds (distance) P-C4' energy: -30.608
flat angles C4'-P-C4' energy: -33.152
flat angles P-C4'-P energy: -24.486
tors. eta vs tors. theta energy: -39.581
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: 3, replica: 1
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -476.040928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.040928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.040928 (E_RNA)
where:
Base-Base interactions energy: -328.469
where: short stacking energy: -148.397
Base-Backbone interact. energy: -0.729
local terms energy: -146.842811
where:
bonds (distance) C4'-P energy: -28.559
bonds (distance) P-C4' energy: -30.973
flat angles C4'-P-C4' energy: -25.227
flat angles P-C4'-P energy: -21.835
tors. eta vs tors. theta energy: -40.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -537.135397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.135397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.135397 (E_RNA)
where:
Base-Base interactions energy: -366.518
where: short stacking energy: -166.367
Base-Backbone interact. energy: 0.637
local terms energy: -171.254549
where:
bonds (distance) C4'-P energy: -31.868
bonds (distance) P-C4' energy: -33.705
flat angles C4'-P-C4' energy: -33.104
flat angles P-C4'-P energy: -22.986
tors. eta vs tors. theta energy: -49.592
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: 7
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -517.519529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.519529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.519529 (E_RNA)
where:
Base-Base interactions energy: -372.920
where: short stacking energy: -138.215
Base-Backbone interact. energy: -1.613
local terms energy: -142.986459
where:
bonds (distance) C4'-P energy: -33.585
bonds (distance) P-C4' energy: -24.003
flat angles C4'-P-C4' energy: -31.240
flat angles P-C4'-P energy: -19.947
tors. eta vs tors. theta energy: -34.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -357.160228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.160228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.160228 (E_RNA)
where:
Base-Base interactions energy: -214.228
where: short stacking energy: -95.822
Base-Backbone interact. energy: -1.647
local terms energy: -141.284885
where:
bonds (distance) C4'-P energy: -31.858
bonds (distance) P-C4' energy: -32.719
flat angles C4'-P-C4' energy: -28.631
flat angles P-C4'-P energy: -20.999
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: 7, replica: 8
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -375.605609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.605609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.605609 (E_RNA)
where:
Base-Base interactions energy: -250.452
where: short stacking energy: -114.516
Base-Backbone interact. energy: -0.612
local terms energy: -124.542063
where:
bonds (distance) C4'-P energy: -30.132
bonds (distance) P-C4' energy: -30.025
flat angles C4'-P-C4' energy: -30.288
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -21.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -262.079180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.079180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.079180 (E_RNA)
where:
Base-Base interactions energy: -166.645
where: short stacking energy: -74.603
Base-Backbone interact. energy: -0.419
local terms energy: -95.014919
where:
bonds (distance) C4'-P energy: -19.204
bonds (distance) P-C4' energy: -31.981
flat angles C4'-P-C4' energy: -24.803
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -10.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -363.257179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.257179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.257179 (E_RNA)
where:
Base-Base interactions energy: -253.549
where: short stacking energy: -109.842
Base-Backbone interact. energy: -0.384
local terms energy: -109.324078
where:
bonds (distance) C4'-P energy: -28.023
bonds (distance) P-C4' energy: -26.625
flat angles C4'-P-C4' energy: -29.138
flat angles P-C4'-P energy: -3.098
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: 10, replica: 10
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -151.655787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.655787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.655787 (E_RNA)
where:
Base-Base interactions energy: -78.822
where: short stacking energy: -57.831
Base-Backbone interact. energy: 0.303
local terms energy: -73.137271
where:
bonds (distance) C4'-P energy: -19.972
bonds (distance) P-C4' energy: -20.465
flat angles C4'-P-C4' energy: -28.338
flat angles P-C4'-P energy: -4.173
tors. eta vs tors. theta energy: -0.189
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: 1, replica: 3
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -557.775579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.775579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.775579 (E_RNA)
where:
Base-Base interactions energy: -395.281
where: short stacking energy: -153.203
Base-Backbone interact. energy: -0.788
local terms energy: -161.706896
where:
bonds (distance) C4'-P energy: -31.411
bonds (distance) P-C4' energy: -28.314
flat angles C4'-P-C4' energy: -38.481
flat angles P-C4'-P energy: -25.475
tors. eta vs tors. theta energy: -38.027
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: 6
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -538.106320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.106320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.106320 (E_RNA)
where:
Base-Base interactions energy: -376.712
where: short stacking energy: -152.991
Base-Backbone interact. energy: -0.105
local terms energy: -161.289639
where:
bonds (distance) C4'-P energy: -26.456
bonds (distance) P-C4' energy: -36.215
flat angles C4'-P-C4' energy: -32.918
flat angles P-C4'-P energy: -22.085
tors. eta vs tors. theta energy: -43.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -545.257588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.257588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.257588 (E_RNA)
where:
Base-Base interactions energy: -383.129
where: short stacking energy: -172.994
Base-Backbone interact. energy: 0.391
local terms energy: -162.518761
where:
bonds (distance) C4'-P energy: -25.608
bonds (distance) P-C4' energy: -33.427
flat angles C4'-P-C4' energy: -34.697
flat angles P-C4'-P energy: -22.656
tors. eta vs tors. theta energy: -46.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -461.825252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.825252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.825252 (E_RNA)
where:
Base-Base interactions energy: -312.430
where: short stacking energy: -138.302
Base-Backbone interact. energy: 0.387
local terms energy: -149.781943
where:
bonds (distance) C4'-P energy: -29.183
bonds (distance) P-C4' energy: -32.127
flat angles C4'-P-C4' energy: -36.186
flat angles P-C4'-P energy: -21.007
tors. eta vs tors. theta energy: -31.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -511.783049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.783049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.783049 (E_RNA)
where:
Base-Base interactions energy: -360.303
where: short stacking energy: -148.260
Base-Backbone interact. energy: -0.684
local terms energy: -150.796748
where:
bonds (distance) C4'-P energy: -27.920
bonds (distance) P-C4' energy: -27.882
flat angles C4'-P-C4' energy: -29.438
flat angles P-C4'-P energy: -25.702
tors. eta vs tors. theta energy: -39.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -341.248922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.248922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.248922 (E_RNA)
where:
Base-Base interactions energy: -218.982
where: short stacking energy: -119.093
Base-Backbone interact. energy: -0.102
local terms energy: -122.164673
where:
bonds (distance) C4'-P energy: -27.295
bonds (distance) P-C4' energy: -29.952
flat angles C4'-P-C4' energy: -24.059
flat angles P-C4'-P energy: -16.021
tors. eta vs tors. theta energy: -24.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -410.677155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.677155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.677155 (E_RNA)
where:
Base-Base interactions energy: -280.078
where: short stacking energy: -123.746
Base-Backbone interact. energy: -0.335
local terms energy: -130.264746
where:
bonds (distance) C4'-P energy: -33.109
bonds (distance) P-C4' energy: -26.028
flat angles C4'-P-C4' energy: -28.855
flat angles P-C4'-P energy: -14.229
tors. eta vs tors. theta energy: -28.044
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: 2
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -269.591108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.591108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.591108 (E_RNA)
where:
Base-Base interactions energy: -147.314
where: short stacking energy: -81.504
Base-Backbone interact. energy: -1.453
local terms energy: -120.823533
where:
bonds (distance) C4'-P energy: -32.579
bonds (distance) P-C4' energy: -28.310
flat angles C4'-P-C4' energy: -27.422
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -20.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -408.065467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.065467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.065467 (E_RNA)
where:
Base-Base interactions energy: -278.167
where: short stacking energy: -106.586
Base-Backbone interact. energy: -0.492
local terms energy: -129.406720
where:
bonds (distance) C4'-P energy: -20.405
bonds (distance) P-C4' energy: -32.093
flat angles C4'-P-C4' energy: -35.280
flat angles P-C4'-P energy: -16.295
tors. eta vs tors. theta energy: -25.334
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: 10, replica: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -226.608521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.608521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.608521 (E_RNA)
where:
Base-Base interactions energy: -130.772
where: short stacking energy: -68.877
Base-Backbone interact. energy: -0.175
local terms energy: -95.661460
where:
bonds (distance) C4'-P energy: -17.821
bonds (distance) P-C4' energy: -30.711
flat angles C4'-P-C4' energy: -23.573
flat angles P-C4'-P energy: -15.568
tors. eta vs tors. theta energy: -7.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -560.313102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.313102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.313102 (E_RNA)
where:
Base-Base interactions energy: -395.574
where: short stacking energy: -158.536
Base-Backbone interact. energy: -0.215
local terms energy: -164.523311
where:
bonds (distance) C4'-P energy: -36.564
bonds (distance) P-C4' energy: -30.872
flat angles C4'-P-C4' energy: -33.098
flat angles P-C4'-P energy: -24.463
tors. eta vs tors. theta energy: -39.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -560.478450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.478450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.478450 (E_RNA)
where:
Base-Base interactions energy: -392.296
where: short stacking energy: -174.477
Base-Backbone interact. energy: -0.174
local terms energy: -168.008708
where:
bonds (distance) C4'-P energy: -28.075
bonds (distance) P-C4' energy: -30.753
flat angles C4'-P-C4' energy: -35.067
flat angles P-C4'-P energy: -25.692
tors. eta vs tors. theta energy: -48.422
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: 6
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -550.103360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.103360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.103360 (E_RNA)
where:
Base-Base interactions energy: -386.553
where: short stacking energy: -172.122
Base-Backbone interact. energy: 1.391
local terms energy: -164.941369
where:
bonds (distance) C4'-P energy: -24.993
bonds (distance) P-C4' energy: -32.225
flat angles C4'-P-C4' energy: -36.547
flat angles P-C4'-P energy: -25.036
tors. eta vs tors. theta energy: -46.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -547.599163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.599163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.599163 (E_RNA)
where:
Base-Base interactions energy: -392.855
where: short stacking energy: -158.272
Base-Backbone interact. energy: -0.273
local terms energy: -154.470792
where:
bonds (distance) C4'-P energy: -30.419
bonds (distance) P-C4' energy: -27.955
flat angles C4'-P-C4' energy: -31.818
flat angles P-C4'-P energy: -22.059
tors. eta vs tors. theta energy: -42.219
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: 1
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -491.151017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.151017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.151017 (E_RNA)
where:
Base-Base interactions energy: -351.527
where: short stacking energy: -157.444
Base-Backbone interact. energy: -0.429
local terms energy: -139.194956
where:
bonds (distance) C4'-P energy: -30.653
bonds (distance) P-C4' energy: -23.873
flat angles C4'-P-C4' energy: -31.409
flat angles P-C4'-P energy: -18.390
tors. eta vs tors. theta energy: -34.870
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: 8
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -395.340059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.340059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.340059 (E_RNA)
where:
Base-Base interactions energy: -268.979
where: short stacking energy: -93.026
Base-Backbone interact. energy: -1.223
local terms energy: -125.138351
where:
bonds (distance) C4'-P energy: -29.717
bonds (distance) P-C4' energy: -28.927
flat angles C4'-P-C4' energy: -27.714
flat angles P-C4'-P energy: -16.844
tors. eta vs tors. theta energy: -21.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -286.676305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.676305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.676305 (E_RNA)
where:
Base-Base interactions energy: -172.159
where: short stacking energy: -81.513
Base-Backbone interact. energy: -1.844
local terms energy: -112.672843
where:
bonds (distance) C4'-P energy: -30.503
bonds (distance) P-C4' energy: -23.789
flat angles C4'-P-C4' energy: -27.603
flat angles P-C4'-P energy: -17.785
tors. eta vs tors. theta energy: -12.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -413.449707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.449707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.449707 (E_RNA)
where:
Base-Base interactions energy: -284.743
where: short stacking energy: -129.353
Base-Backbone interact. energy: -0.410
local terms energy: -128.297642
where:
bonds (distance) C4'-P energy: -23.846
bonds (distance) P-C4' energy: -32.645
flat angles C4'-P-C4' energy: -30.856
flat angles P-C4'-P energy: -15.750
tors. eta vs tors. theta energy: -25.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -325.431981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.431981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.431981 (E_RNA)
where:
Base-Base interactions energy: -209.423
where: short stacking energy: -88.422
Base-Backbone interact. energy: -0.441
local terms energy: -115.568233
where:
bonds (distance) C4'-P energy: -23.681
bonds (distance) P-C4' energy: -30.087
flat angles C4'-P-C4' energy: -27.901
flat angles P-C4'-P energy: -17.884
tors. eta vs tors. theta energy: -16.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -214.746135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.746135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.746135 (E_RNA)
where:
Base-Base interactions energy: -126.021
where: short stacking energy: -68.671
Base-Backbone interact. energy: -0.697
local terms energy: -88.028725
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -26.157
flat angles C4'-P-C4' energy: -21.843
flat angles P-C4'-P energy: -19.365
tors. eta vs tors. theta energy: -5.496
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: 5
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -559.202534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.202534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.202534 (E_RNA)
where:
Base-Base interactions energy: -388.543
where: short stacking energy: -178.599
Base-Backbone interact. energy: -0.945
local terms energy: -169.714740
where:
bonds (distance) C4'-P energy: -27.233
bonds (distance) P-C4' energy: -34.792
flat angles C4'-P-C4' energy: -33.532
flat angles P-C4'-P energy: -23.241
tors. eta vs tors. theta energy: -50.916
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: -527.776652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.776652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.776652 (E_RNA)
where:
Base-Base interactions energy: -369.692
where: short stacking energy: -144.499
Base-Backbone interact. energy: -0.251
local terms energy: -157.833215
where:
bonds (distance) C4'-P energy: -21.217
bonds (distance) P-C4' energy: -37.297
flat angles C4'-P-C4' energy: -32.898
flat angles P-C4'-P energy: -25.503
tors. eta vs tors. theta energy: -40.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -554.458406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.458406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.458406 (E_RNA)
where:
Base-Base interactions energy: -396.826
where: short stacking energy: -156.728
Base-Backbone interact. energy: -1.481
local terms energy: -156.151392
where:
bonds (distance) C4'-P energy: -26.761
bonds (distance) P-C4' energy: -30.117
flat angles C4'-P-C4' energy: -30.240
flat angles P-C4'-P energy: -26.091
tors. eta vs tors. theta energy: -42.943
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: 6
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -514.197606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.197606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.197606 (E_RNA)
where:
Base-Base interactions energy: -368.509
where: short stacking energy: -156.839
Base-Backbone interact. energy: -1.019
local terms energy: -144.669191
where:
bonds (distance) C4'-P energy: -27.213
bonds (distance) P-C4' energy: -23.873
flat angles C4'-P-C4' energy: -31.108
flat angles P-C4'-P energy: -21.616
tors. eta vs tors. theta energy: -40.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -473.205944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.205944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.205944 (E_RNA)
where:
Base-Base interactions energy: -333.113
where: short stacking energy: -153.538
Base-Backbone interact. energy: -0.762
local terms energy: -139.330304
where:
bonds (distance) C4'-P energy: -22.697
bonds (distance) P-C4' energy: -25.534
flat angles C4'-P-C4' energy: -32.975
flat angles P-C4'-P energy: -20.061
tors. eta vs tors. theta energy: -38.063
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: 8
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -416.588385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.588385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.588385 (E_RNA)
where:
Base-Base interactions energy: -289.069
where: short stacking energy: -120.314
Base-Backbone interact. energy: -1.445
local terms energy: -126.074895
where:
bonds (distance) C4'-P energy: -31.191
bonds (distance) P-C4' energy: -25.677
flat angles C4'-P-C4' energy: -29.020
flat angles P-C4'-P energy: -14.348
tors. eta vs tors. theta energy: -25.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -458.829395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.829395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.829395 (E_RNA)
where:
Base-Base interactions energy: -307.109
where: short stacking energy: -146.294
Base-Backbone interact. energy: -0.079
local terms energy: -151.641785
where:
bonds (distance) C4'-P energy: -28.070
bonds (distance) P-C4' energy: -31.652
flat angles C4'-P-C4' energy: -31.697
flat angles P-C4'-P energy: -18.730
tors. eta vs tors. theta energy: -41.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -265.940296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.940296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.940296 (E_RNA)
where:
Base-Base interactions energy: -159.321
where: short stacking energy: -75.292
Base-Backbone interact. energy: 1.071
local terms energy: -107.690992
where:
bonds (distance) C4'-P energy: -31.543
bonds (distance) P-C4' energy: -22.227
flat angles C4'-P-C4' energy: -32.940
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -10.883
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: 9, replica: 10
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -288.841476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.841476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.841476 (E_RNA)
where:
Base-Base interactions energy: -169.574
where: short stacking energy: -85.215
Base-Backbone interact. energy: -0.013
local terms energy: -119.254022
where:
bonds (distance) C4'-P energy: -25.171
bonds (distance) P-C4' energy: -25.895
flat angles C4'-P-C4' energy: -23.750
flat angles P-C4'-P energy: -24.477
tors. eta vs tors. theta energy: -19.962
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: 2
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -313.606231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.606231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.606231 (E_RNA)
where:
Base-Base interactions energy: -196.666
where: short stacking energy: -107.085
Base-Backbone interact. energy: -0.328
local terms energy: -116.612323
where:
bonds (distance) C4'-P energy: -25.282
bonds (distance) P-C4' energy: -33.391
flat angles C4'-P-C4' energy: -23.786
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -22.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -565.551182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.551182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.551182 (E_RNA)
where:
Base-Base interactions energy: -397.281
where: short stacking energy: -169.052
Base-Backbone interact. energy: -0.309
local terms energy: -167.960430
where:
bonds (distance) C4'-P energy: -34.473
bonds (distance) P-C4' energy: -24.243
flat angles C4'-P-C4' energy: -38.676
flat angles P-C4'-P energy: -25.303
tors. eta vs tors. theta energy: -45.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -574.254666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.254666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.254666 (E_RNA)
where:
Base-Base interactions energy: -407.913
where: short stacking energy: -162.120
Base-Backbone interact. energy: -0.998
local terms energy: -165.343231
where:
bonds (distance) C4'-P energy: -30.074
bonds (distance) P-C4' energy: -30.050
flat angles C4'-P-C4' energy: -31.668
flat angles P-C4'-P energy: -25.591
tors. eta vs tors. theta energy: -47.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -513.178794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.178794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.178794 (E_RNA)
where:
Base-Base interactions energy: -372.702
where: short stacking energy: -139.180
Base-Backbone interact. energy: -0.401
local terms energy: -140.075384
where:
bonds (distance) C4'-P energy: -26.942
bonds (distance) P-C4' energy: -29.000
flat angles C4'-P-C4' energy: -35.275
flat angles P-C4'-P energy: -21.509
tors. eta vs tors. theta energy: -27.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -519.027330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.027330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.027330 (E_RNA)
where:
Base-Base interactions energy: -363.472
where: short stacking energy: -158.639
Base-Backbone interact. energy: 1.125
local terms energy: -156.680438
where:
bonds (distance) C4'-P energy: -25.916
bonds (distance) P-C4' energy: -31.502
flat angles C4'-P-C4' energy: -34.957
flat angles P-C4'-P energy: -23.865
tors. eta vs tors. theta energy: -40.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -493.284994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.284994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.284994 (E_RNA)
where:
Base-Base interactions energy: -340.542
where: short stacking energy: -139.244
Base-Backbone interact. energy: -0.789
local terms energy: -151.953895
where:
bonds (distance) C4'-P energy: -32.081
bonds (distance) P-C4' energy: -31.030
flat angles C4'-P-C4' energy: -35.494
flat angles P-C4'-P energy: -17.600
tors. eta vs tors. theta energy: -35.749
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: 6, replica: 9
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -450.377588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.377588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.377588 (E_RNA)
where:
Base-Base interactions energy: -301.174
where: short stacking energy: -136.571
Base-Backbone interact. energy: 0.233
local terms energy: -149.437039
where:
bonds (distance) C4'-P energy: -31.973
bonds (distance) P-C4' energy: -34.810
flat angles C4'-P-C4' energy: -28.965
flat angles P-C4'-P energy: -18.623
tors. eta vs tors. theta energy: -35.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -398.428301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.428301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.428301 (E_RNA)
where:
Base-Base interactions energy: -284.366
where: short stacking energy: -117.307
Base-Backbone interact. energy: 0.063
local terms energy: -114.124564
where:
bonds (distance) C4'-P energy: -27.214
bonds (distance) P-C4' energy: -29.984
flat angles C4'-P-C4' energy: -20.678
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -25.898
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: 8, replica: 10
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -352.909680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.909680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.909680 (E_RNA)
where:
Base-Base interactions energy: -244.655
where: short stacking energy: -117.840
Base-Backbone interact. energy: -0.905
local terms energy: -107.349508
where:
bonds (distance) C4'-P energy: -22.082
bonds (distance) P-C4' energy: -22.649
flat angles C4'-P-C4' energy: -27.316
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -24.367
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: 4
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -259.137223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.137223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.137223 (E_RNA)
where:
Base-Base interactions energy: -163.036
where: short stacking energy: -95.227
Base-Backbone interact. energy: -0.143
local terms energy: -95.958222
where:
bonds (distance) C4'-P energy: -19.825
bonds (distance) P-C4' energy: -25.612
flat angles C4'-P-C4' energy: -30.325
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -8.096
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: 2
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -335.963710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.963710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.963710 (E_RNA)
where:
Base-Base interactions energy: -229.004
where: short stacking energy: -104.092
Base-Backbone interact. energy: 0.167
local terms energy: -107.127113
where:
bonds (distance) C4'-P energy: -18.940
bonds (distance) P-C4' energy: -24.964
flat angles C4'-P-C4' energy: -29.233
flat angles P-C4'-P energy: -19.244
tors. eta vs tors. theta energy: -14.746
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: 7
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -568.139469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.139469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.139469 (E_RNA)
where:
Base-Base interactions energy: -397.587
where: short stacking energy: -170.439
Base-Backbone interact. energy: -0.737
local terms energy: -169.815626
where:
bonds (distance) C4'-P energy: -33.272
bonds (distance) P-C4' energy: -27.666
flat angles C4'-P-C4' energy: -32.927
flat angles P-C4'-P energy: -29.333
tors. eta vs tors. theta energy: -46.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -551.970116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.970116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.970116 (E_RNA)
where:
Base-Base interactions energy: -383.164
where: short stacking energy: -179.280
Base-Backbone interact. energy: 0.317
local terms energy: -169.122856
where:
bonds (distance) C4'-P energy: -30.903
bonds (distance) P-C4' energy: -28.569
flat angles C4'-P-C4' energy: -36.990
flat angles P-C4'-P energy: -24.051
tors. eta vs tors. theta energy: -48.610
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: 6
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -527.874169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.874169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.874169 (E_RNA)
where:
Base-Base interactions energy: -380.370
where: short stacking energy: -154.338
Base-Backbone interact. energy: 2.200
local terms energy: -149.704269
where:
bonds (distance) C4'-P energy: -29.795
bonds (distance) P-C4' energy: -30.346
flat angles C4'-P-C4' energy: -28.206
flat angles P-C4'-P energy: -18.941
tors. eta vs tors. theta energy: -42.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -519.696855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.696855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.696855 (E_RNA)
where:
Base-Base interactions energy: -374.787
where: short stacking energy: -141.738
Base-Backbone interact. energy: -0.773
local terms energy: -144.136905
where:
bonds (distance) C4'-P energy: -29.608
bonds (distance) P-C4' energy: -35.405
flat angles C4'-P-C4' energy: -24.445
flat angles P-C4'-P energy: -23.419
tors. eta vs tors. theta energy: -31.259
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: 5, replica: 1
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -522.312310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.312310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.312310 (E_RNA)
where:
Base-Base interactions energy: -367.044
where: short stacking energy: -153.867
Base-Backbone interact. energy: -0.083
local terms energy: -155.184933
where:
bonds (distance) C4'-P energy: -32.735
bonds (distance) P-C4' energy: -28.450
flat angles C4'-P-C4' energy: -30.121
flat angles P-C4'-P energy: -26.277
tors. eta vs tors. theta energy: -37.601
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: 9
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -447.865737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.865737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.865737 (E_RNA)
where:
Base-Base interactions energy: -297.762
where: short stacking energy: -119.231
Base-Backbone interact. energy: 1.017
local terms energy: -151.120279
where:
bonds (distance) C4'-P energy: -26.847
bonds (distance) P-C4' energy: -28.881
flat angles C4'-P-C4' energy: -32.867
flat angles P-C4'-P energy: -29.555
tors. eta vs tors. theta energy: -32.971
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: 20
Temperature: 1.200000
Total energy: -475.933789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.933789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.933789 (E_RNA)
where:
Base-Base interactions energy: -341.519
where: short stacking energy: -127.183
Base-Backbone interact. energy: -1.550
local terms energy: -132.864904
where:
bonds (distance) C4'-P energy: -19.192
bonds (distance) P-C4' energy: -31.106
flat angles C4'-P-C4' energy: -35.435
flat angles P-C4'-P energy: -15.215
tors. eta vs tors. theta energy: -31.917
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: 10
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -397.121898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.121898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.121898 (E_RNA)
where:
Base-Base interactions energy: -264.199
where: short stacking energy: -122.102
Base-Backbone interact. energy: -0.617
local terms energy: -132.305383
where:
bonds (distance) C4'-P energy: -25.654
bonds (distance) P-C4' energy: -30.750
flat angles C4'-P-C4' energy: -29.826
flat angles P-C4'-P energy: -20.295
tors. eta vs tors. theta energy: -25.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -309.938505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.938505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.938505 (E_RNA)
where:
Base-Base interactions energy: -179.609
where: short stacking energy: -94.252
Base-Backbone interact. energy: -0.461
local terms energy: -129.869302
where:
bonds (distance) C4'-P energy: -24.200
bonds (distance) P-C4' energy: -35.376
flat angles C4'-P-C4' energy: -31.374
flat angles P-C4'-P energy: -23.004
tors. eta vs tors. theta energy: -15.915
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: 4
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -240.425429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.425429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.425429 (E_RNA)
where:
Base-Base interactions energy: -145.807
where: short stacking energy: -60.513
Base-Backbone interact. energy: -0.985
local terms energy: -93.633496
where:
bonds (distance) C4'-P energy: -20.187
bonds (distance) P-C4' energy: -28.750
flat angles C4'-P-C4' energy: -24.882
flat angles P-C4'-P energy: -17.473
tors. eta vs tors. theta energy: -2.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -573.006092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.006092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.006092 (E_RNA)
where:
Base-Base interactions energy: -405.122
where: short stacking energy: -168.259
Base-Backbone interact. energy: -2.094
local terms energy: -165.789463
where:
bonds (distance) C4'-P energy: -28.676
bonds (distance) P-C4' energy: -33.949
flat angles C4'-P-C4' energy: -33.354
flat angles P-C4'-P energy: -23.386
tors. eta vs tors. theta energy: -46.425
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: 5
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -576.658541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.658541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.658541 (E_RNA)
where:
Base-Base interactions energy: -404.047
where: short stacking energy: -177.076
Base-Backbone interact. energy: -0.250
local terms energy: -172.361344
where:
bonds (distance) C4'-P energy: -33.075
bonds (distance) P-C4' energy: -31.679
flat angles C4'-P-C4' energy: -39.505
flat angles P-C4'-P energy: -19.989
tors. eta vs tors. theta energy: -48.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -536.467416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.467416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.467416 (E_RNA)
where:
Base-Base interactions energy: -372.928
where: short stacking energy: -162.449
Base-Backbone interact. energy: 0.710
local terms energy: -164.249509
where:
bonds (distance) C4'-P energy: -30.571
bonds (distance) P-C4' energy: -36.584
flat angles C4'-P-C4' energy: -37.382
flat angles P-C4'-P energy: -15.205
tors. eta vs tors. theta energy: -44.507
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: 3
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -523.004172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.004172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.004172 (E_RNA)
where:
Base-Base interactions energy: -369.743
where: short stacking energy: -146.637
Base-Backbone interact. energy: -1.133
local terms energy: -152.128559
where:
bonds (distance) C4'-P energy: -21.840
bonds (distance) P-C4' energy: -33.234
flat angles C4'-P-C4' energy: -31.622
flat angles P-C4'-P energy: -26.230
tors. eta vs tors. theta energy: -39.204
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: 21
Temperature: 1.100000
Total energy: -494.083870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.083870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.083870 (E_RNA)
where:
Base-Base interactions energy: -339.938
where: short stacking energy: -138.073
Base-Backbone interact. energy: -0.392
local terms energy: -153.753779
where:
bonds (distance) C4'-P energy: -27.415
bonds (distance) P-C4' energy: -32.654
flat angles C4'-P-C4' energy: -30.137
flat angles P-C4'-P energy: -23.350
tors. eta vs tors. theta energy: -40.197
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: 8
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -486.308265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.308265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.308265 (E_RNA)
where:
Base-Base interactions energy: -338.093
where: short stacking energy: -134.976
Base-Backbone interact. energy: -0.608
local terms energy: -147.606559
where:
bonds (distance) C4'-P energy: -26.899
bonds (distance) P-C4' energy: -27.120
flat angles C4'-P-C4' energy: -37.227
flat angles P-C4'-P energy: -22.610
tors. eta vs tors. theta energy: -33.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -421.005556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.005556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.005556 (E_RNA)
where:
Base-Base interactions energy: -284.088
where: short stacking energy: -135.296
Base-Backbone interact. energy: 0.004
local terms energy: -136.921299
where:
bonds (distance) C4'-P energy: -26.582
bonds (distance) P-C4' energy: -29.574
flat angles C4'-P-C4' energy: -27.799
flat angles P-C4'-P energy: -13.758
tors. eta vs tors. theta energy: -39.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -391.991816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.991816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.991816 (E_RNA)
where:
Base-Base interactions energy: -265.897
where: short stacking energy: -126.780
Base-Backbone interact. energy: -1.580
local terms energy: -124.514813
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -25.641
flat angles C4'-P-C4' energy: -33.343
flat angles P-C4'-P energy: -21.270
tors. eta vs tors. theta energy: -28.375
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: 2
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -406.945030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.945030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.945030 (E_RNA)
where:
Base-Base interactions energy: -284.659
where: short stacking energy: -119.254
Base-Backbone interact. energy: 0.254
local terms energy: -122.540260
where:
bonds (distance) C4'-P energy: -20.727
bonds (distance) P-C4' energy: -27.502
flat angles C4'-P-C4' energy: -29.018
flat angles P-C4'-P energy: -15.966
tors. eta vs tors. theta energy: -29.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -221.967535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.967535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.967535 (E_RNA)
where:
Base-Base interactions energy: -125.935
where: short stacking energy: -64.184
Base-Backbone interact. energy: 1.027
local terms energy: -97.059710
where:
bonds (distance) C4'-P energy: -31.033
bonds (distance) P-C4' energy: -29.948
flat angles C4'-P-C4' energy: -24.196
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -4.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -586.218239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.218239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.218239 (E_RNA)
where:
Base-Base interactions energy: -407.853
where: short stacking energy: -185.180
Base-Backbone interact. energy: -0.144
local terms energy: -178.221406
where:
bonds (distance) C4'-P energy: -29.619
bonds (distance) P-C4' energy: -35.759
flat angles C4'-P-C4' energy: -37.415
flat angles P-C4'-P energy: -25.134
tors. eta vs tors. theta energy: -50.295
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: 22
Temperature: 0.950000
Total energy: -564.729807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.729807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.729807 (E_RNA)
where:
Base-Base interactions energy: -403.452
where: short stacking energy: -170.397
Base-Backbone interact. energy: -0.479
local terms energy: -160.798679
where:
bonds (distance) C4'-P energy: -30.051
bonds (distance) P-C4' energy: -31.417
flat angles C4'-P-C4' energy: -36.288
flat angles P-C4'-P energy: -18.157
tors. eta vs tors. theta energy: -44.886
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: 6
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -545.659494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.659494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.659494 (E_RNA)
where:
Base-Base interactions energy: -372.796
where: short stacking energy: -161.589
Base-Backbone interact. energy: -1.296
local terms energy: -171.567163
where:
bonds (distance) C4'-P energy: -32.164
bonds (distance) P-C4' energy: -32.714
flat angles C4'-P-C4' energy: -34.286
flat angles P-C4'-P energy: -28.265
tors. eta vs tors. theta energy: -44.137
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: 3
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -524.482675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.482675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.482675 (E_RNA)
where:
Base-Base interactions energy: -367.063
where: short stacking energy: -163.833
Base-Backbone interact. energy: -0.109
local terms energy: -157.311176
where:
bonds (distance) C4'-P energy: -29.058
bonds (distance) P-C4' energy: -30.891
flat angles C4'-P-C4' energy: -37.211
flat angles P-C4'-P energy: -20.650
tors. eta vs tors. theta energy: -39.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -490.502175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.502175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.502175 (E_RNA)
where:
Base-Base interactions energy: -345.592
where: short stacking energy: -161.088
Base-Backbone interact. energy: -0.178
local terms energy: -144.731613
where:
bonds (distance) C4'-P energy: -25.934
bonds (distance) P-C4' energy: -28.091
flat angles C4'-P-C4' energy: -32.537
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -44.979
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: 8
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -511.501528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.501528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.501528 (E_RNA)
where:
Base-Base interactions energy: -355.137
where: short stacking energy: -146.349
Base-Backbone interact. energy: -1.145
local terms energy: -155.219805
where:
bonds (distance) C4'-P energy: -28.075
bonds (distance) P-C4' energy: -24.501
flat angles C4'-P-C4' energy: -32.486
flat angles P-C4'-P energy: -26.954
tors. eta vs tors. theta energy: -43.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -437.070323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.070323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.070323 (E_RNA)
where:
Base-Base interactions energy: -297.215
where: short stacking energy: -139.130
Base-Backbone interact. energy: -0.233
local terms energy: -139.621953
where:
bonds (distance) C4'-P energy: -20.314
bonds (distance) P-C4' energy: -27.682
flat angles C4'-P-C4' energy: -38.259
flat angles P-C4'-P energy: -20.139
tors. eta vs tors. theta energy: -33.227
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: 8, replica: 9
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -414.864458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.864458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.864458 (E_RNA)
where:
Base-Base interactions energy: -289.249
where: short stacking energy: -118.150
Base-Backbone interact. energy: -0.298
local terms energy: -125.317778
where:
bonds (distance) C4'-P energy: -27.316
bonds (distance) P-C4' energy: -27.570
flat angles C4'-P-C4' energy: -24.145
flat angles P-C4'-P energy: -20.049
tors. eta vs tors. theta energy: -26.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -429.266500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.266500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.266500 (E_RNA)
where:
Base-Base interactions energy: -303.433
where: short stacking energy: -131.814
Base-Backbone interact. energy: -0.359
local terms energy: -125.473824
where:
bonds (distance) C4'-P energy: -28.922
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -25.045
flat angles P-C4'-P energy: -19.946
tors. eta vs tors. theta energy: -35.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -239.832825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.832825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.832825 (E_RNA)
where:
Base-Base interactions energy: -134.729
where: short stacking energy: -72.224
Base-Backbone interact. energy: -0.149
local terms energy: -104.954120
where:
bonds (distance) C4'-P energy: -32.535
bonds (distance) P-C4' energy: -26.181
flat angles C4'-P-C4' energy: -27.628
flat angles P-C4'-P energy: -2.809
tors. eta vs tors. theta energy: -15.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -576.440981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.440981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.440981 (E_RNA)
where:
Base-Base interactions energy: -401.262
where: short stacking energy: -187.827
Base-Backbone interact. energy: -0.171
local terms energy: -175.008301
where:
bonds (distance) C4'-P energy: -28.078
bonds (distance) P-C4' energy: -31.918
flat angles C4'-P-C4' energy: -38.693
flat angles P-C4'-P energy: -23.083
tors. eta vs tors. theta energy: -53.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -566.857895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.857895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.857895 (E_RNA)
where:
Base-Base interactions energy: -383.945
where: short stacking energy: -167.509
Base-Backbone interact. energy: -1.224
local terms energy: -181.689126
where:
bonds (distance) C4'-P energy: -36.730
bonds (distance) P-C4' energy: -32.089
flat angles C4'-P-C4' energy: -36.715
flat angles P-C4'-P energy: -27.441
tors. eta vs tors. theta energy: -48.714
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: 6
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -553.196209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.196209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.196209 (E_RNA)
where:
Base-Base interactions energy: -392.363
where: short stacking energy: -156.486
Base-Backbone interact. energy: 3.030
local terms energy: -163.862587
where:
bonds (distance) C4'-P energy: -34.836
bonds (distance) P-C4' energy: -26.046
flat angles C4'-P-C4' energy: -34.877
flat angles P-C4'-P energy: -26.042
tors. eta vs tors. theta energy: -42.061
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: 4, replica: 1
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -503.992183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.992183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.992183 (E_RNA)
where:
Base-Base interactions energy: -352.673
where: short stacking energy: -155.756
Base-Backbone interact. energy: -0.237
local terms energy: -151.081528
where:
bonds (distance) C4'-P energy: -29.933
bonds (distance) P-C4' energy: -25.679
flat angles C4'-P-C4' energy: -37.622
flat angles P-C4'-P energy: -17.284
tors. eta vs tors. theta energy: -40.564
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: 3
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -544.435502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.435502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.435502 (E_RNA)
where:
Base-Base interactions energy: -391.441
where: short stacking energy: -161.369
Base-Backbone interact. energy: -0.270
local terms energy: -152.724326
where:
bonds (distance) C4'-P energy: -28.557
bonds (distance) P-C4' energy: -31.302
flat angles C4'-P-C4' energy: -34.403
flat angles P-C4'-P energy: -22.544
tors. eta vs tors. theta energy: -35.918
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: 8
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -515.148013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.148013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.148013 (E_RNA)
where:
Base-Base interactions energy: -366.069
where: short stacking energy: -148.205
Base-Backbone interact. energy: -1.316
local terms energy: -147.762667
where:
bonds (distance) C4'-P energy: -24.244
bonds (distance) P-C4' energy: -29.250
flat angles C4'-P-C4' energy: -31.172
flat angles P-C4'-P energy: -18.335
tors. eta vs tors. theta energy: -44.761
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: 10
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -427.957827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.957827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.957827 (E_RNA)
where:
Base-Base interactions energy: -282.913
where: short stacking energy: -128.930
Base-Backbone interact. energy: -0.382
local terms energy: -144.663518
where:
bonds (distance) C4'-P energy: -29.879
bonds (distance) P-C4' energy: -33.599
flat angles C4'-P-C4' energy: -29.710
flat angles P-C4'-P energy: -16.156
tors. eta vs tors. theta energy: -35.319
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: 2
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -454.610961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.610961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.610961 (E_RNA)
where:
Base-Base interactions energy: -313.542
where: short stacking energy: -133.519
Base-Backbone interact. energy: -0.567
local terms energy: -140.502222
where:
bonds (distance) C4'-P energy: -31.268
bonds (distance) P-C4' energy: -28.082
flat angles C4'-P-C4' energy: -30.116
flat angles P-C4'-P energy: -15.459
tors. eta vs tors. theta energy: -35.577
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: 9, replica: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -405.859843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.859843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.859843 (E_RNA)
where:
Base-Base interactions energy: -278.398
where: short stacking energy: -119.373
Base-Backbone interact. energy: -0.198
local terms energy: -127.263656
where:
bonds (distance) C4'-P energy: -28.673
bonds (distance) P-C4' energy: -31.334
flat angles C4'-P-C4' energy: -25.436
flat angles P-C4'-P energy: -15.964
tors. eta vs tors. theta energy: -25.856
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: 4
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -229.562045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.562045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.562045 (E_RNA)
where:
Base-Base interactions energy: -118.452
where: short stacking energy: -79.139
Base-Backbone interact. energy: -0.151
local terms energy: -110.958853
where:
bonds (distance) C4'-P energy: -27.224
bonds (distance) P-C4' energy: -29.780
flat angles C4'-P-C4' energy: -26.899
flat angles P-C4'-P energy: -17.997
tors. eta vs tors. theta energy: -9.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -598.606500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.606500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.606500 (E_RNA)
where:
Base-Base interactions energy: -417.787
where: short stacking energy: -186.326
Base-Backbone interact. energy: -0.095
local terms energy: -180.724838
where:
bonds (distance) C4'-P energy: -31.480
bonds (distance) P-C4' energy: -33.574
flat angles C4'-P-C4' energy: -38.400
flat angles P-C4'-P energy: -24.278
tors. eta vs tors. theta energy: -52.993
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: 2, replica: 7
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -544.649143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.649143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.649143 (E_RNA)
where:
Base-Base interactions energy: -378.882
where: short stacking energy: -153.164
Base-Backbone interact. energy: -1.686
local terms energy: -164.080582
where:
bonds (distance) C4'-P energy: -27.895
bonds (distance) P-C4' energy: -31.433
flat angles C4'-P-C4' energy: -35.642
flat angles P-C4'-P energy: -27.645
tors. eta vs tors. theta energy: -41.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -547.930900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.930900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.930900 (E_RNA)
where:
Base-Base interactions energy: -387.119
where: short stacking energy: -165.424
Base-Backbone interact. energy: -0.617
local terms energy: -160.194482
where:
bonds (distance) C4'-P energy: -32.658
bonds (distance) P-C4' energy: -34.630
flat angles C4'-P-C4' energy: -25.337
flat angles P-C4'-P energy: -22.577
tors. eta vs tors. theta energy: -44.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -512.801110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.801110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.801110 (E_RNA)
where:
Base-Base interactions energy: -354.326
where: short stacking energy: -157.498
Base-Backbone interact. energy: -0.377
local terms energy: -158.098466
where:
bonds (distance) C4'-P energy: -31.771
bonds (distance) P-C4' energy: -27.187
flat angles C4'-P-C4' energy: -37.709
flat angles P-C4'-P energy: -22.049
tors. eta vs tors. theta energy: -39.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -540.803350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.803350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.803350 (E_RNA)
where:
Base-Base interactions energy: -378.250
where: short stacking energy: -164.668
Base-Backbone interact. energy: -0.895
local terms energy: -161.658535
where:
bonds (distance) C4'-P energy: -32.805
bonds (distance) P-C4' energy: -24.080
flat angles C4'-P-C4' energy: -35.890
flat angles P-C4'-P energy: -27.879
tors. eta vs tors. theta energy: -41.004
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: 3
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -498.260833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.260833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.260833 (E_RNA)
where:
Base-Base interactions energy: -351.330
where: short stacking energy: -135.051
Base-Backbone interact. energy: -1.920
local terms energy: -145.011579
where:
bonds (distance) C4'-P energy: -27.542
bonds (distance) P-C4' energy: -30.059
flat angles C4'-P-C4' energy: -30.370
flat angles P-C4'-P energy: -18.865
tors. eta vs tors. theta energy: -38.176
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: 2
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -434.200034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.200034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.200034 (E_RNA)
where:
Base-Base interactions energy: -281.195
where: short stacking energy: -133.704
Base-Backbone interact. energy: 0.097
local terms energy: -153.102659
where:
bonds (distance) C4'-P energy: -29.211
bonds (distance) P-C4' energy: -27.438
flat angles C4'-P-C4' energy: -30.663
flat angles P-C4'-P energy: -23.386
tors. eta vs tors. theta energy: -42.404
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: 24
Temperature: 1.250000
Total energy: -381.214672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.214672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.214672 (E_RNA)
where:
Base-Base interactions energy: -250.670
where: short stacking energy: -118.796
Base-Backbone interact. energy: -1.496
local terms energy: -129.049088
where:
bonds (distance) C4'-P energy: -20.589
bonds (distance) P-C4' energy: -30.647
flat angles C4'-P-C4' energy: -30.951
flat angles P-C4'-P energy: -17.218
tors. eta vs tors. theta energy: -29.644
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: 9, replica: 9
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -418.257959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.257959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.257959 (E_RNA)
where:
Base-Base interactions energy: -288.733
where: short stacking energy: -124.914
Base-Backbone interact. energy: 6.619
local terms energy: -136.144382
where:
bonds (distance) C4'-P energy: -28.452
bonds (distance) P-C4' energy: -35.037
flat angles C4'-P-C4' energy: -26.056
flat angles P-C4'-P energy: -16.502
tors. eta vs tors. theta energy: -30.098
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: 4
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -225.700143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.700143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.700143 (E_RNA)
where:
Base-Base interactions energy: -118.007
where: short stacking energy: -74.821
Base-Backbone interact. energy: 1.481
local terms energy: -109.173674
where:
bonds (distance) C4'-P energy: -18.527
bonds (distance) P-C4' energy: -32.567
flat angles C4'-P-C4' energy: -24.814
flat angles P-C4'-P energy: -17.864
tors. eta vs tors. theta energy: -15.401
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: 1, replica: 5
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -578.988224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.988224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.988224 (E_RNA)
where:
Base-Base interactions energy: -410.769
where: short stacking energy: -183.225
Base-Backbone interact. energy: -1.181
local terms energy: -167.038520
where:
bonds (distance) C4'-P energy: -29.356
bonds (distance) P-C4' energy: -32.606
flat angles C4'-P-C4' energy: -33.101
flat angles P-C4'-P energy: -21.835
tors. eta vs tors. theta energy: -50.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -568.324533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.324533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.324533 (E_RNA)
where:
Base-Base interactions energy: -398.185
where: short stacking energy: -170.766
Base-Backbone interact. energy: -0.484
local terms energy: -169.654959
where:
bonds (distance) C4'-P energy: -31.591
bonds (distance) P-C4' energy: -33.835
flat angles C4'-P-C4' energy: -31.072
flat angles P-C4'-P energy: -23.638
tors. eta vs tors. theta energy: -49.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -540.139912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.139912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.139912 (E_RNA)
where:
Base-Base interactions energy: -375.305
where: short stacking energy: -164.207
Base-Backbone interact. energy: -0.318
local terms energy: -164.516928
where:
bonds (distance) C4'-P energy: -31.813
bonds (distance) P-C4' energy: -32.851
flat angles C4'-P-C4' energy: -30.795
flat angles P-C4'-P energy: -21.246
tors. eta vs tors. theta energy: -47.812
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: 8
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -555.034222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.034222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.034222 (E_RNA)
where:
Base-Base interactions energy: -377.850
where: short stacking energy: -156.201
Base-Backbone interact. energy: -0.100
local terms energy: -177.083867
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -33.722
flat angles C4'-P-C4' energy: -33.569
flat angles P-C4'-P energy: -21.249
tors. eta vs tors. theta energy: -49.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -510.747505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.747505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.747505 (E_RNA)
where:
Base-Base interactions energy: -356.084
where: short stacking energy: -151.867
Base-Backbone interact. energy: -0.669
local terms energy: -153.993737
where:
bonds (distance) C4'-P energy: -27.353
bonds (distance) P-C4' energy: -32.495
flat angles C4'-P-C4' energy: -36.805
flat angles P-C4'-P energy: -17.703
tors. eta vs tors. theta energy: -39.637
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: 3
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -510.324412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.324412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.324412 (E_RNA)
where:
Base-Base interactions energy: -358.055
where: short stacking energy: -148.912
Base-Backbone interact. energy: -1.296
local terms energy: -150.973410
where:
bonds (distance) C4'-P energy: -28.717
bonds (distance) P-C4' energy: -26.709
flat angles C4'-P-C4' energy: -36.979
flat angles P-C4'-P energy: -25.511
tors. eta vs tors. theta energy: -33.058
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: 2
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -479.640576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.640576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.640576 (E_RNA)
where:
Base-Base interactions energy: -341.923
where: short stacking energy: -143.589
Base-Backbone interact. energy: 2.335
local terms energy: -140.053215
where:
bonds (distance) C4'-P energy: -27.564
bonds (distance) P-C4' energy: -31.225
flat angles C4'-P-C4' energy: -25.482
flat angles P-C4'-P energy: -14.885
tors. eta vs tors. theta energy: -40.897
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: 9
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -436.968189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.968189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.968189 (E_RNA)
where:
Base-Base interactions energy: -289.494
where: short stacking energy: -129.840
Base-Backbone interact. energy: -0.694
local terms energy: -146.780748
where:
bonds (distance) C4'-P energy: -30.570
bonds (distance) P-C4' energy: -23.482
flat angles C4'-P-C4' energy: -29.303
flat angles P-C4'-P energy: -25.118
tors. eta vs tors. theta energy: -38.308
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: 10
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -356.070040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.070040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.070040 (E_RNA)
where:
Base-Base interactions energy: -229.398
where: short stacking energy: -111.896
Base-Backbone interact. energy: 0.554
local terms energy: -127.226095
where:
bonds (distance) C4'-P energy: -26.507
bonds (distance) P-C4' energy: -24.978
flat angles C4'-P-C4' energy: -32.369
flat angles P-C4'-P energy: -18.705
tors. eta vs tors. theta energy: -24.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -209.725673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.725673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.725673 (E_RNA)
where:
Base-Base interactions energy: -107.285
where: short stacking energy: -64.993
Base-Backbone interact. energy: -0.403
local terms energy: -102.037209
where:
bonds (distance) C4'-P energy: -30.368
bonds (distance) P-C4' energy: -33.212
flat angles C4'-P-C4' energy: -21.919
flat angles P-C4'-P energy: -5.666
tors. eta vs tors. theta energy: -10.871
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: 1, replica: 7
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -593.864835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.864835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.864835 (E_RNA)
where:
Base-Base interactions energy: -409.889
where: short stacking energy: -172.889
Base-Backbone interact. energy: -0.591
local terms energy: -183.384722
where:
bonds (distance) C4'-P energy: -32.442
bonds (distance) P-C4' energy: -35.089
flat angles C4'-P-C4' energy: -38.792
flat angles P-C4'-P energy: -26.176
tors. eta vs tors. theta energy: -50.885
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: 5
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -575.730517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.730517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.730517 (E_RNA)
where:
Base-Base interactions energy: -394.846
where: short stacking energy: -182.001
Base-Backbone interact. energy: -0.569
local terms energy: -180.315882
where:
bonds (distance) C4'-P energy: -31.163
bonds (distance) P-C4' energy: -31.829
flat angles C4'-P-C4' energy: -36.775
flat angles P-C4'-P energy: -28.854
tors. eta vs tors. theta energy: -51.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -573.911993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.911993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.911993 (E_RNA)
where:
Base-Base interactions energy: -404.396
where: short stacking energy: -174.501
Base-Backbone interact. energy: 0.088
local terms energy: -169.604212
where:
bonds (distance) C4'-P energy: -30.470
bonds (distance) P-C4' energy: -33.898
flat angles C4'-P-C4' energy: -34.674
flat angles P-C4'-P energy: -21.480
tors. eta vs tors. theta energy: -49.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -516.198854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.198854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.198854 (E_RNA)
where:
Base-Base interactions energy: -369.567
where: short stacking energy: -158.163
Base-Backbone interact. energy: -0.689
local terms energy: -145.943085
where:
bonds (distance) C4'-P energy: -22.275
bonds (distance) P-C4' energy: -23.435
flat angles C4'-P-C4' energy: -34.511
flat angles P-C4'-P energy: -22.211
tors. eta vs tors. theta energy: -43.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -528.827299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.827299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.827299 (E_RNA)
where:
Base-Base interactions energy: -372.903
where: short stacking energy: -154.912
Base-Backbone interact. energy: -0.826
local terms energy: -155.098654
where:
bonds (distance) C4'-P energy: -32.366
bonds (distance) P-C4' energy: -28.815
flat angles C4'-P-C4' energy: -33.422
flat angles P-C4'-P energy: -21.712
tors. eta vs tors. theta energy: -38.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -496.208238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.208238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.208238 (E_RNA)
where:
Base-Base interactions energy: -354.143
where: short stacking energy: -144.733
Base-Backbone interact. energy: -1.181
local terms energy: -140.884243
where:
bonds (distance) C4'-P energy: -29.085
bonds (distance) P-C4' energy: -22.221
flat angles C4'-P-C4' energy: -33.431
flat angles P-C4'-P energy: -22.438
tors. eta vs tors. theta energy: -33.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -498.428908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.428908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.428908 (E_RNA)
where:
Base-Base interactions energy: -354.278
where: short stacking energy: -152.296
Base-Backbone interact. energy: 0.172
local terms energy: -144.322523
where:
bonds (distance) C4'-P energy: -27.461
bonds (distance) P-C4' energy: -27.248
flat angles C4'-P-C4' energy: -31.210
flat angles P-C4'-P energy: -23.258
tors. eta vs tors. theta energy: -35.145
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: 9
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -432.210263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.210263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.210263 (E_RNA)
where:
Base-Base interactions energy: -304.760
where: short stacking energy: -122.657
Base-Backbone interact. energy: -0.376
local terms energy: -127.073601
where:
bonds (distance) C4'-P energy: -22.000
bonds (distance) P-C4' energy: -27.503
flat angles C4'-P-C4' energy: -27.368
flat angles P-C4'-P energy: -19.394
tors. eta vs tors. theta energy: -30.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -355.065418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.065418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.065418 (E_RNA)
where:
Base-Base interactions energy: -238.467
where: short stacking energy: -121.278
Base-Backbone interact. energy: -0.186
local terms energy: -116.412912
where:
bonds (distance) C4'-P energy: -18.697
bonds (distance) P-C4' energy: -31.170
flat angles C4'-P-C4' energy: -25.577
flat angles P-C4'-P energy: -14.663
tors. eta vs tors. theta energy: -26.306
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: 4
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -240.171487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.171487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.171487 (E_RNA)
where:
Base-Base interactions energy: -134.943
where: short stacking energy: -64.540
Base-Backbone interact. energy: -1.526
local terms energy: -103.702470
where:
bonds (distance) C4'-P energy: -22.194
bonds (distance) P-C4' energy: -24.233
flat angles C4'-P-C4' energy: -27.695
flat angles P-C4'-P energy: -22.870
tors. eta vs tors. theta energy: -6.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -601.662598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.662598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.662598 (E_RNA)
where:
Base-Base interactions energy: -426.260
where: short stacking energy: -179.032
Base-Backbone interact. energy: -1.964
local terms energy: -173.439419
where:
bonds (distance) C4'-P energy: -31.782
bonds (distance) P-C4' energy: -29.236
flat angles C4'-P-C4' energy: -38.361
flat angles P-C4'-P energy: -22.787
tors. eta vs tors. theta energy: -51.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -578.199174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.199174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.199174 (E_RNA)
where:
Base-Base interactions energy: -402.912
where: short stacking energy: -175.858
Base-Backbone interact. energy: -0.370
local terms energy: -174.917007
where:
bonds (distance) C4'-P energy: -32.509
bonds (distance) P-C4' energy: -29.269
flat angles C4'-P-C4' energy: -37.551
flat angles P-C4'-P energy: -27.111
tors. eta vs tors. theta energy: -48.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -558.022672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.022672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.022672 (E_RNA)
where:
Base-Base interactions energy: -398.738
where: short stacking energy: -175.208
Base-Backbone interact. energy: 0.464
local terms energy: -159.748720
where:
bonds (distance) C4'-P energy: -24.195
bonds (distance) P-C4' energy: -23.875
flat angles C4'-P-C4' energy: -31.073
flat angles P-C4'-P energy: -28.575
tors. eta vs tors. theta energy: -52.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -520.464745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.464745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.464745 (E_RNA)
where:
Base-Base interactions energy: -349.723
where: short stacking energy: -159.033
Base-Backbone interact. energy: -1.261
local terms energy: -169.480165
where:
bonds (distance) C4'-P energy: -31.247
bonds (distance) P-C4' energy: -31.897
flat angles C4'-P-C4' energy: -35.614
flat angles P-C4'-P energy: -22.931
tors. eta vs tors. theta energy: -47.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -518.084122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.084122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.084122 (E_RNA)
where:
Base-Base interactions energy: -367.574
where: short stacking energy: -153.570
Base-Backbone interact. energy: -0.577
local terms energy: -149.933725
where:
bonds (distance) C4'-P energy: -27.046
bonds (distance) P-C4' energy: -30.867
flat angles C4'-P-C4' energy: -34.541
flat angles P-C4'-P energy: -18.633
tors. eta vs tors. theta energy: -38.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -486.443089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.443089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.443089 (E_RNA)
where:
Base-Base interactions energy: -340.905
where: short stacking energy: -143.173
Base-Backbone interact. energy: -0.289
local terms energy: -145.249844
where:
bonds (distance) C4'-P energy: -29.976
bonds (distance) P-C4' energy: -21.997
flat angles C4'-P-C4' energy: -30.077
flat angles P-C4'-P energy: -24.894
tors. eta vs tors. theta energy: -38.306
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: 2
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -510.688635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.688635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.688635 (E_RNA)
where:
Base-Base interactions energy: -360.069
where: short stacking energy: -144.195
Base-Backbone interact. energy: -0.182
local terms energy: -150.437281
where:
bonds (distance) C4'-P energy: -29.486
bonds (distance) P-C4' energy: -22.295
flat angles C4'-P-C4' energy: -36.182
flat angles P-C4'-P energy: -21.591
tors. eta vs tors. theta energy: -40.884
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: 9
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -416.667466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.667466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.667466 (E_RNA)
where:
Base-Base interactions energy: -288.767
where: short stacking energy: -114.351
Base-Backbone interact. energy: -1.330
local terms energy: -126.570109
where:
bonds (distance) C4'-P energy: -28.515
bonds (distance) P-C4' energy: -28.708
flat angles C4'-P-C4' energy: -26.232
flat angles P-C4'-P energy: -20.590
tors. eta vs tors. theta energy: -22.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -341.610169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.610169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.610169 (E_RNA)
where:
Base-Base interactions energy: -233.623
where: short stacking energy: -93.431
Base-Backbone interact. energy: -0.105
local terms energy: -107.882875
where:
bonds (distance) C4'-P energy: -27.984
bonds (distance) P-C4' energy: -23.665
flat angles C4'-P-C4' energy: -21.696
flat angles P-C4'-P energy: -20.459
tors. eta vs tors. theta energy: -14.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -213.492038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.492038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.492038 (E_RNA)
where:
Base-Base interactions energy: -108.988
where: short stacking energy: -59.354
Base-Backbone interact. energy: 5.048
local terms energy: -109.552015
where:
bonds (distance) C4'-P energy: -24.375
bonds (distance) P-C4' energy: -38.074
flat angles C4'-P-C4' energy: -21.072
flat angles P-C4'-P energy: -15.085
tors. eta vs tors. theta energy: -10.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -596.130339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.130339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.130339 (E_RNA)
where:
Base-Base interactions energy: -412.760
where: short stacking energy: -175.098
Base-Backbone interact. energy: -1.058
local terms energy: -182.312395
where:
bonds (distance) C4'-P energy: -37.501
bonds (distance) P-C4' energy: -32.174
flat angles C4'-P-C4' energy: -34.049
flat angles P-C4'-P energy: -28.651
tors. eta vs tors. theta energy: -49.938
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: 8
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -558.916689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.916689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.916689 (E_RNA)
where:
Base-Base interactions energy: -394.034
where: short stacking energy: -173.908
Base-Backbone interact. energy: -1.919
local terms energy: -162.963202
where:
bonds (distance) C4'-P energy: -36.541
bonds (distance) P-C4' energy: -16.180
flat angles C4'-P-C4' energy: -36.570
flat angles P-C4'-P energy: -23.835
tors. eta vs tors. theta energy: -49.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -569.298783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.298783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.298783 (E_RNA)
where:
Base-Base interactions energy: -395.383
where: short stacking energy: -165.705
Base-Backbone interact. energy: -0.224
local terms energy: -173.692101
where:
bonds (distance) C4'-P energy: -28.996
bonds (distance) P-C4' energy: -36.213
flat angles C4'-P-C4' energy: -36.387
flat angles P-C4'-P energy: -23.458
tors. eta vs tors. theta energy: -48.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -541.541697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.541697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.541697 (E_RNA)
where:
Base-Base interactions energy: -383.950
where: short stacking energy: -152.330
Base-Backbone interact. energy: 0.358
local terms energy: -157.949439
where:
bonds (distance) C4'-P energy: -31.570
bonds (distance) P-C4' energy: -35.188
flat angles C4'-P-C4' energy: -27.297
flat angles P-C4'-P energy: -24.112
tors. eta vs tors. theta energy: -39.783
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: 5, replica: 3
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -526.386520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.386520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.386520 (E_RNA)
where:
Base-Base interactions energy: -376.345
where: short stacking energy: -147.140
Base-Backbone interact. energy: -0.514
local terms energy: -149.527644
where:
bonds (distance) C4'-P energy: -32.106
bonds (distance) P-C4' energy: -25.753
flat angles C4'-P-C4' energy: -28.522
flat angles P-C4'-P energy: -21.821
tors. eta vs tors. theta energy: -41.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -499.628424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.628424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.628424 (E_RNA)
where:
Base-Base interactions energy: -347.521
where: short stacking energy: -139.437
Base-Backbone interact. energy: -0.764
local terms energy: -151.343025
where:
bonds (distance) C4'-P energy: -26.071
bonds (distance) P-C4' energy: -29.708
flat angles C4'-P-C4' energy: -37.545
flat angles P-C4'-P energy: -22.893
tors. eta vs tors. theta energy: -35.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -517.652667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.652667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.652667 (E_RNA)
where:
Base-Base interactions energy: -361.094
where: short stacking energy: -146.612
Base-Backbone interact. energy: -0.117
local terms energy: -156.441072
where:
bonds (distance) C4'-P energy: -32.253
bonds (distance) P-C4' energy: -31.481
flat angles C4'-P-C4' energy: -29.230
flat angles P-C4'-P energy: -23.426
tors. eta vs tors. theta energy: -40.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -430.586321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.586321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.586321 (E_RNA)
where:
Base-Base interactions energy: -294.304
where: short stacking energy: -121.455
Base-Backbone interact. energy: -0.273
local terms energy: -136.008976
where:
bonds (distance) C4'-P energy: -30.974
bonds (distance) P-C4' energy: -24.170
flat angles C4'-P-C4' energy: -26.713
flat angles P-C4'-P energy: -26.252
tors. eta vs tors. theta energy: -27.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -415.273220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.273220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.273220 (E_RNA)
where:
Base-Base interactions energy: -277.171
where: short stacking energy: -110.955
Base-Backbone interact. energy: -0.287
local terms energy: -137.815671
where:
bonds (distance) C4'-P energy: -24.278
bonds (distance) P-C4' energy: -27.449
flat angles C4'-P-C4' energy: -32.838
flat angles P-C4'-P energy: -23.378
tors. eta vs tors. theta energy: -29.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -232.353444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.353444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.353444 (E_RNA)
where:
Base-Base interactions energy: -130.102
where: short stacking energy: -71.122
Base-Backbone interact. energy: -0.301
local terms energy: -101.950005
where:
bonds (distance) C4'-P energy: -27.981
bonds (distance) P-C4' energy: -21.068
flat angles C4'-P-C4' energy: -28.610
flat angles P-C4'-P energy: -15.116
tors. eta vs tors. theta energy: -9.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -577.960745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.960745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.960745 (E_RNA)
where:
Base-Base interactions energy: -395.561
where: short stacking energy: -168.991
Base-Backbone interact. energy: -1.346
local terms energy: -181.054132
where:
bonds (distance) C4'-P energy: -30.697
bonds (distance) P-C4' energy: -33.965
flat angles C4'-P-C4' energy: -37.749
flat angles P-C4'-P energy: -24.697
tors. eta vs tors. theta energy: -53.945
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: 8
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -573.043526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.043526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.043526 (E_RNA)
where:
Base-Base interactions energy: -397.875
where: short stacking energy: -168.331
Base-Backbone interact. energy: -0.152
local terms energy: -175.016158
where:
bonds (distance) C4'-P energy: -29.857
bonds (distance) P-C4' energy: -34.953
flat angles C4'-P-C4' energy: -37.942
flat angles P-C4'-P energy: -25.367
tors. eta vs tors. theta energy: -46.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -556.690573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.690573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.690573 (E_RNA)
where:
Base-Base interactions energy: -390.556
where: short stacking energy: -169.086
Base-Backbone interact. energy: -0.939
local terms energy: -165.195543
where:
bonds (distance) C4'-P energy: -31.003
bonds (distance) P-C4' energy: -27.220
flat angles C4'-P-C4' energy: -35.235
flat angles P-C4'-P energy: -26.977
tors. eta vs tors. theta energy: -44.761
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: 3
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -529.497695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.497695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.497695 (E_RNA)
where:
Base-Base interactions energy: -382.419
where: short stacking energy: -154.956
Base-Backbone interact. energy: -1.393
local terms energy: -145.685609
where:
bonds (distance) C4'-P energy: -26.713
bonds (distance) P-C4' energy: -23.734
flat angles C4'-P-C4' energy: -31.631
flat angles P-C4'-P energy: -24.429
tors. eta vs tors. theta energy: -39.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -501.048965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.048965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.048965 (E_RNA)
where:
Base-Base interactions energy: -342.201
where: short stacking energy: -140.921
Base-Backbone interact. energy: -0.602
local terms energy: -158.246670
where:
bonds (distance) C4'-P energy: -31.186
bonds (distance) P-C4' energy: -34.573
flat angles C4'-P-C4' energy: -33.746
flat angles P-C4'-P energy: -17.830
tors. eta vs tors. theta energy: -40.911
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: 2
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -514.988555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.988555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.988555 (E_RNA)
where:
Base-Base interactions energy: -357.683
where: short stacking energy: -154.605
Base-Backbone interact. energy: -0.185
local terms energy: -157.120453
where:
bonds (distance) C4'-P energy: -33.269
bonds (distance) P-C4' energy: -26.067
flat angles C4'-P-C4' energy: -35.052
flat angles P-C4'-P energy: -22.808
tors. eta vs tors. theta energy: -39.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -470.331959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.331959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.331959 (E_RNA)
where:
Base-Base interactions energy: -322.863
where: short stacking energy: -120.438
Base-Backbone interact. energy: -1.041
local terms energy: -146.427913
where:
bonds (distance) C4'-P energy: -26.060
bonds (distance) P-C4' energy: -30.531
flat angles C4'-P-C4' energy: -30.869
flat angles P-C4'-P energy: -22.192
tors. eta vs tors. theta energy: -36.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -408.742506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.742506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.742506 (E_RNA)
where:
Base-Base interactions energy: -274.450
where: short stacking energy: -114.544
Base-Backbone interact. energy: -0.712
local terms energy: -133.580385
where:
bonds (distance) C4'-P energy: -27.630
bonds (distance) P-C4' energy: -24.962
flat angles C4'-P-C4' energy: -30.045
flat angles P-C4'-P energy: -20.806
tors. eta vs tors. theta energy: -30.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -448.857316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.857316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.857316 (E_RNA)
where:
Base-Base interactions energy: -314.244
where: short stacking energy: -134.312
Base-Backbone interact. energy: -1.050
local terms energy: -133.563030
where:
bonds (distance) C4'-P energy: -23.277
bonds (distance) P-C4' energy: -32.442
flat angles C4'-P-C4' energy: -32.874
flat angles P-C4'-P energy: -14.491
tors. eta vs tors. theta energy: -30.479
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: 4
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -266.440619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.440619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.440619 (E_RNA)
where:
Base-Base interactions energy: -182.415
where: short stacking energy: -81.772
Base-Backbone interact. energy: -0.933
local terms energy: -83.092642
where:
bonds (distance) C4'-P energy: -18.296
bonds (distance) P-C4' energy: -24.587
flat angles C4'-P-C4' energy: -23.328
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -5.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -584.594019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.594019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.594019 (E_RNA)
where:
Base-Base interactions energy: -408.184
where: short stacking energy: -172.938
Base-Backbone interact. energy: -0.687
local terms energy: -175.723292
where:
bonds (distance) C4'-P energy: -29.204
bonds (distance) P-C4' energy: -36.723
flat angles C4'-P-C4' energy: -32.362
flat angles P-C4'-P energy: -29.226
tors. eta vs tors. theta energy: -48.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -574.720263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.720263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.720263 (E_RNA)
where:
Base-Base interactions energy: -406.188
where: short stacking energy: -171.579
Base-Backbone interact. energy: -0.453
local terms energy: -168.078994
where:
bonds (distance) C4'-P energy: -31.402
bonds (distance) P-C4' energy: -34.977
flat angles C4'-P-C4' energy: -35.136
flat angles P-C4'-P energy: -22.713
tors. eta vs tors. theta energy: -43.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -550.175474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.175474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.175474 (E_RNA)
where:
Base-Base interactions energy: -392.072
where: short stacking energy: -171.673
Base-Backbone interact. energy: -0.105
local terms energy: -157.998036
where:
bonds (distance) C4'-P energy: -28.646
bonds (distance) P-C4' energy: -31.890
flat angles C4'-P-C4' energy: -34.195
flat angles P-C4'-P energy: -22.039
tors. eta vs tors. theta energy: -41.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -537.224972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.224972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.224972 (E_RNA)
where:
Base-Base interactions energy: -383.107
where: short stacking energy: -157.834
Base-Backbone interact. energy: -0.300
local terms energy: -153.817963
where:
bonds (distance) C4'-P energy: -25.753
bonds (distance) P-C4' energy: -31.440
flat angles C4'-P-C4' energy: -35.460
flat angles P-C4'-P energy: -21.793
tors. eta vs tors. theta energy: -39.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -544.579173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.579173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.579173 (E_RNA)
where:
Base-Base interactions energy: -384.847
where: short stacking energy: -171.177
Base-Backbone interact. energy: 1.723
local terms energy: -161.455101
where:
bonds (distance) C4'-P energy: -24.270
bonds (distance) P-C4' energy: -27.757
flat angles C4'-P-C4' energy: -33.595
flat angles P-C4'-P energy: -26.434
tors. eta vs tors. theta energy: -49.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -492.151553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.151553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.151553 (E_RNA)
where:
Base-Base interactions energy: -342.638
where: short stacking energy: -145.052
Base-Backbone interact. energy: -1.925
local terms energy: -147.588262
where:
bonds (distance) C4'-P energy: -29.400
bonds (distance) P-C4' energy: -29.328
flat angles C4'-P-C4' energy: -31.513
flat angles P-C4'-P energy: -17.541
tors. eta vs tors. theta energy: -39.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -482.552920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.552920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.552920 (E_RNA)
where:
Base-Base interactions energy: -333.672
where: short stacking energy: -137.837
Base-Backbone interact. energy: -1.230
local terms energy: -147.650591
where:
bonds (distance) C4'-P energy: -30.784
bonds (distance) P-C4' energy: -29.289
flat angles C4'-P-C4' energy: -28.083
flat angles P-C4'-P energy: -20.429
tors. eta vs tors. theta energy: -39.065
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: 10
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -374.074134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.074134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.074134 (E_RNA)
where:
Base-Base interactions energy: -249.675
where: short stacking energy: -119.800
Base-Backbone interact. energy: -0.513
local terms energy: -123.885794
where:
bonds (distance) C4'-P energy: -26.259
bonds (distance) P-C4' energy: -24.294
flat angles C4'-P-C4' energy: -31.475
flat angles P-C4'-P energy: -18.730
tors. eta vs tors. theta energy: -23.128
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: 30
Temperature: 1.300000
Total energy: -433.689033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.689033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.689033 (E_RNA)
where:
Base-Base interactions energy: -310.041
where: short stacking energy: -117.426
Base-Backbone interact. energy: -0.665
local terms energy: -122.983307
where:
bonds (distance) C4'-P energy: -21.005
bonds (distance) P-C4' energy: -18.623
flat angles C4'-P-C4' energy: -32.957
flat angles P-C4'-P energy: -23.581
tors. eta vs tors. theta energy: -26.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -309.585978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.585978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.585978 (E_RNA)
where:
Base-Base interactions energy: -210.664
where: short stacking energy: -86.529
Base-Backbone interact. energy: -0.964
local terms energy: -97.958139
where:
bonds (distance) C4'-P energy: -27.483
bonds (distance) P-C4' energy: -21.888
flat angles C4'-P-C4' energy: -24.533
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -13.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -567.215624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.215624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.215624 (E_RNA)
where:
Base-Base interactions energy: -397.184
where: short stacking energy: -163.112
Base-Backbone interact. energy: -0.214
local terms energy: -169.817012
where:
bonds (distance) C4'-P energy: -31.066
bonds (distance) P-C4' energy: -33.627
flat angles C4'-P-C4' energy: -32.712
flat angles P-C4'-P energy: -25.884
tors. eta vs tors. theta energy: -46.527
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: 5
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -554.246681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.246681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.246681 (E_RNA)
where:
Base-Base interactions energy: -372.714
where: short stacking energy: -170.404
Base-Backbone interact. energy: -0.203
local terms energy: -181.329355
where:
bonds (distance) C4'-P energy: -35.628
bonds (distance) P-C4' energy: -36.296
flat angles C4'-P-C4' energy: -39.027
flat angles P-C4'-P energy: -23.917
tors. eta vs tors. theta energy: -46.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -570.163389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.163389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.163389 (E_RNA)
where:
Base-Base interactions energy: -403.475
where: short stacking energy: -170.186
Base-Backbone interact. energy: -1.031
local terms energy: -165.657248
where:
bonds (distance) C4'-P energy: -31.192
bonds (distance) P-C4' energy: -29.409
flat angles C4'-P-C4' energy: -30.878
flat angles P-C4'-P energy: -25.536
tors. eta vs tors. theta energy: -48.642
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: 31
Temperature: 1.050000
Total energy: -551.160024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.160024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.160024 (E_RNA)
where:
Base-Base interactions energy: -390.071
where: short stacking energy: -166.197
Base-Backbone interact. energy: -0.390
local terms energy: -160.698977
where:
bonds (distance) C4'-P energy: -30.174
bonds (distance) P-C4' energy: -29.553
flat angles C4'-P-C4' energy: -32.950
flat angles P-C4'-P energy: -23.552
tors. eta vs tors. theta energy: -44.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -524.958223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.958223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.958223 (E_RNA)
where:
Base-Base interactions energy: -362.456
where: short stacking energy: -155.123
Base-Backbone interact. energy: -0.858
local terms energy: -161.644367
where:
bonds (distance) C4'-P energy: -27.937
bonds (distance) P-C4' energy: -36.188
flat angles C4'-P-C4' energy: -34.032
flat angles P-C4'-P energy: -21.527
tors. eta vs tors. theta energy: -41.961
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: 6, replica: 1
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -472.959028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.959028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.959028 (E_RNA)
where:
Base-Base interactions energy: -328.049
where: short stacking energy: -145.029
Base-Backbone interact. energy: -0.328
local terms energy: -144.582455
where:
bonds (distance) C4'-P energy: -27.237
bonds (distance) P-C4' energy: -30.252
flat angles C4'-P-C4' energy: -31.057
flat angles P-C4'-P energy: -16.754
tors. eta vs tors. theta energy: -39.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -453.447421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.447421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.447421 (E_RNA)
where:
Base-Base interactions energy: -314.834
where: short stacking energy: -139.217
Base-Backbone interact. energy: -2.772
local terms energy: -135.841356
where:
bonds (distance) C4'-P energy: -19.211
bonds (distance) P-C4' energy: -27.626
flat angles C4'-P-C4' energy: -35.448
flat angles P-C4'-P energy: -19.294
tors. eta vs tors. theta energy: -34.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -473.294434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.294434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.294434 (E_RNA)
where:
Base-Base interactions energy: -325.251
where: short stacking energy: -144.189
Base-Backbone interact. energy: -0.192
local terms energy: -147.851248
where:
bonds (distance) C4'-P energy: -30.438
bonds (distance) P-C4' energy: -31.892
flat angles C4'-P-C4' energy: -29.278
flat angles P-C4'-P energy: -18.628
tors. eta vs tors. theta energy: -37.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -365.551989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.551989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.551989 (E_RNA)
where:
Base-Base interactions energy: -232.118
where: short stacking energy: -109.775
Base-Backbone interact. energy: 0.960
local terms energy: -134.394343
where:
bonds (distance) C4'-P energy: -23.912
bonds (distance) P-C4' energy: -33.965
flat angles C4'-P-C4' energy: -33.585
flat angles P-C4'-P energy: -21.142
tors. eta vs tors. theta energy: -21.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -297.786370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.786370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.786370 (E_RNA)
where:
Base-Base interactions energy: -205.031
where: short stacking energy: -87.174
Base-Backbone interact. energy: 4.101
local terms energy: -96.856498
where:
bonds (distance) C4'-P energy: -25.361
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -25.191
flat angles P-C4'-P energy: -21.008
tors. eta vs tors. theta energy: -10.950
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: 8
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -555.211972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.211972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.211972 (E_RNA)
where:
Base-Base interactions energy: -389.549
where: short stacking energy: -162.562
Base-Backbone interact. energy: -0.255
local terms energy: -165.408002
where:
bonds (distance) C4'-P energy: -30.235
bonds (distance) P-C4' energy: -30.746
flat angles C4'-P-C4' energy: -31.183
flat angles P-C4'-P energy: -26.681
tors. eta vs tors. theta energy: -46.564
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: 5
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -568.223531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.223531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.223531 (E_RNA)
where:
Base-Base interactions energy: -387.924
where: short stacking energy: -165.363
Base-Backbone interact. energy: -0.361
local terms energy: -179.938402
where:
bonds (distance) C4'-P energy: -27.872
bonds (distance) P-C4' energy: -34.794
flat angles C4'-P-C4' energy: -35.583
flat angles P-C4'-P energy: -27.324
tors. eta vs tors. theta energy: -54.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -566.466641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.466641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.466641 (E_RNA)
where:
Base-Base interactions energy: -413.976
where: short stacking energy: -173.291
Base-Backbone interact. energy: -1.020
local terms energy: -151.470811
where:
bonds (distance) C4'-P energy: -26.120
bonds (distance) P-C4' energy: -28.763
flat angles C4'-P-C4' energy: -24.767
flat angles P-C4'-P energy: -23.413
tors. eta vs tors. theta energy: -48.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -548.351460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.351460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.351460 (E_RNA)
where:
Base-Base interactions energy: -380.310
where: short stacking energy: -170.858
Base-Backbone interact. energy: -2.401
local terms energy: -165.640117
where:
bonds (distance) C4'-P energy: -24.745
bonds (distance) P-C4' energy: -27.219
flat angles C4'-P-C4' energy: -36.452
flat angles P-C4'-P energy: -28.806
tors. eta vs tors. theta energy: -48.419
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: 1
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -499.098691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.098691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.098691 (E_RNA)
where:
Base-Base interactions energy: -345.608
where: short stacking energy: -139.425
Base-Backbone interact. energy: -1.424
local terms energy: -152.066371
where:
bonds (distance) C4'-P energy: -34.631
bonds (distance) P-C4' energy: -22.414
flat angles C4'-P-C4' energy: -33.376
flat angles P-C4'-P energy: -25.790
tors. eta vs tors. theta energy: -35.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -468.296531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.296531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.296531 (E_RNA)
where:
Base-Base interactions energy: -333.027
where: short stacking energy: -130.012
Base-Backbone interact. energy: -0.411
local terms energy: -134.858888
where:
bonds (distance) C4'-P energy: -25.597
bonds (distance) P-C4' energy: -29.009
flat angles C4'-P-C4' energy: -33.125
flat angles P-C4'-P energy: -20.029
tors. eta vs tors. theta energy: -27.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -482.660567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.660567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.660567 (E_RNA)
where:
Base-Base interactions energy: -339.304
where: short stacking energy: -139.544
Base-Backbone interact. energy: -0.412
local terms energy: -142.943752
where:
bonds (distance) C4'-P energy: -20.517
bonds (distance) P-C4' energy: -29.099
flat angles C4'-P-C4' energy: -35.028
flat angles P-C4'-P energy: -21.842
tors. eta vs tors. theta energy: -36.458
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: 32
Temperature: 1.250000
Total energy: -410.925815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.925815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.925815 (E_RNA)
where:
Base-Base interactions energy: -281.103
where: short stacking energy: -130.915
Base-Backbone interact. energy: -0.653
local terms energy: -129.169584
where:
bonds (distance) C4'-P energy: -24.049
bonds (distance) P-C4' energy: -25.349
flat angles C4'-P-C4' energy: -36.848
flat angles P-C4'-P energy: -11.449
tors. eta vs tors. theta energy: -31.474
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: 10
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -328.065346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.065346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.065346 (E_RNA)
where:
Base-Base interactions energy: -208.476
where: short stacking energy: -103.773
Base-Backbone interact. energy: -0.292
local terms energy: -119.296990
where:
bonds (distance) C4'-P energy: -29.020
bonds (distance) P-C4' energy: -25.682
flat angles C4'-P-C4' energy: -26.660
flat angles P-C4'-P energy: -22.920
tors. eta vs tors. theta energy: -15.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -314.047170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.047170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.047170 (E_RNA)
where:
Base-Base interactions energy: -204.764
where: short stacking energy: -94.149
Base-Backbone interact. energy: -1.013
local terms energy: -108.269977
where:
bonds (distance) C4'-P energy: -30.322
bonds (distance) P-C4' energy: -27.128
flat angles C4'-P-C4' energy: -26.587
flat angles P-C4'-P energy: -4.877
tors. eta vs tors. theta energy: -19.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -559.706709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.706709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.706709 (E_RNA)
where:
Base-Base interactions energy: -386.843
where: short stacking energy: -160.658
Base-Backbone interact. energy: -0.346
local terms energy: -172.518207
where:
bonds (distance) C4'-P energy: -29.803
bonds (distance) P-C4' energy: -34.432
flat angles C4'-P-C4' energy: -34.184
flat angles P-C4'-P energy: -24.609
tors. eta vs tors. theta energy: -49.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -577.873280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.873280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.873280 (E_RNA)
where:
Base-Base interactions energy: -411.497
where: short stacking energy: -164.131
Base-Backbone interact. energy: -1.182
local terms energy: -165.194873
where:
bonds (distance) C4'-P energy: -32.680
bonds (distance) P-C4' energy: -24.248
flat angles C4'-P-C4' energy: -34.427
flat angles P-C4'-P energy: -23.126
tors. eta vs tors. theta energy: -50.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -554.361970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.361970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.361970 (E_RNA)
where:
Base-Base interactions energy: -379.723
where: short stacking energy: -166.937
Base-Backbone interact. energy: -0.712
local terms energy: -173.927611
where:
bonds (distance) C4'-P energy: -33.452
bonds (distance) P-C4' energy: -30.491
flat angles C4'-P-C4' energy: -34.275
flat angles P-C4'-P energy: -24.505
tors. eta vs tors. theta energy: -51.204
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: 2
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -560.376155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.376155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.376155 (E_RNA)
where:
Base-Base interactions energy: -392.249
where: short stacking energy: -172.476
Base-Backbone interact. energy: -0.243
local terms energy: -167.883942
where:
bonds (distance) C4'-P energy: -34.466
bonds (distance) P-C4' energy: -26.494
flat angles C4'-P-C4' energy: -34.384
flat angles P-C4'-P energy: -26.318
tors. eta vs tors. theta energy: -46.221
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: 33
Temperature: 1.100000
Total energy: -502.017218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.017218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.017218 (E_RNA)
where:
Base-Base interactions energy: -336.466
where: short stacking energy: -147.217
Base-Backbone interact. energy: -0.224
local terms energy: -165.327544
where:
bonds (distance) C4'-P energy: -34.202
bonds (distance) P-C4' energy: -33.185
flat angles C4'-P-C4' energy: -36.719
flat angles P-C4'-P energy: -22.499
tors. eta vs tors. theta energy: -38.723
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: 6, replica: 9
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -495.531915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.531915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.531915 (E_RNA)
where:
Base-Base interactions energy: -343.402
where: short stacking energy: -150.841
Base-Backbone interact. energy: -0.506
local terms energy: -151.624349
where:
bonds (distance) C4'-P energy: -33.415
bonds (distance) P-C4' energy: -25.683
flat angles C4'-P-C4' energy: -32.045
flat angles P-C4'-P energy: -19.611
tors. eta vs tors. theta energy: -40.871
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: 3
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -465.115733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.115733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.115733 (E_RNA)
where:
Base-Base interactions energy: -333.958
where: short stacking energy: -136.502
Base-Backbone interact. energy: -1.503
local terms energy: -129.654897
where:
bonds (distance) C4'-P energy: -26.920
bonds (distance) P-C4' energy: -27.943
flat angles C4'-P-C4' energy: -28.999
flat angles P-C4'-P energy: -18.882
tors. eta vs tors. theta energy: -26.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -442.737347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.737347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.737347 (E_RNA)
where:
Base-Base interactions energy: -308.285
where: short stacking energy: -134.332
Base-Backbone interact. energy: -0.605
local terms energy: -133.847622
where:
bonds (distance) C4'-P energy: -24.304
bonds (distance) P-C4' energy: -23.037
flat angles C4'-P-C4' energy: -31.176
flat angles P-C4'-P energy: -25.010
tors. eta vs tors. theta energy: -30.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -283.795566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.795566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.795566 (E_RNA)
where:
Base-Base interactions energy: -167.879
where: short stacking energy: -73.971
Base-Backbone interact. energy: -0.269
local terms energy: -115.646971
where:
bonds (distance) C4'-P energy: -30.760
bonds (distance) P-C4' energy: -25.814
flat angles C4'-P-C4' energy: -29.882
flat angles P-C4'-P energy: -17.831
tors. eta vs tors. theta energy: -11.360
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: 10, replica: 4
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -283.731241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.731241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.731241 (E_RNA)
where:
Base-Base interactions energy: -173.932
where: short stacking energy: -86.249
Base-Backbone interact. energy: -0.891
local terms energy: -108.908254
where:
bonds (distance) C4'-P energy: -30.186
bonds (distance) P-C4' energy: -32.912
flat angles C4'-P-C4' energy: -25.637
flat angles P-C4'-P energy: -14.414
tors. eta vs tors. theta energy: -5.759
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: 1, replica: 7
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -592.161300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.161300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.161300 (E_RNA)
where:
Base-Base interactions energy: -411.971
where: short stacking energy: -171.541
Base-Backbone interact. energy: -1.242
local terms energy: -178.948568
where:
bonds (distance) C4'-P energy: -32.838
bonds (distance) P-C4' energy: -32.045
flat angles C4'-P-C4' energy: -36.262
flat angles P-C4'-P energy: -30.051
tors. eta vs tors. theta energy: -47.752
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: 2, replica: 8
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -556.081241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.081241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.081241 (E_RNA)
where:
Base-Base interactions energy: -379.101
where: short stacking energy: -165.175
Base-Backbone interact. energy: -0.696
local terms energy: -176.284909
where:
bonds (distance) C4'-P energy: -35.952
bonds (distance) P-C4' energy: -32.343
flat angles C4'-P-C4' energy: -36.299
flat angles P-C4'-P energy: -24.455
tors. eta vs tors. theta energy: -47.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -543.585911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.585911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.585911 (E_RNA)
where:
Base-Base interactions energy: -385.015
where: short stacking energy: -167.161
Base-Backbone interact. energy: -0.016
local terms energy: -158.555407
where:
bonds (distance) C4'-P energy: -33.440
bonds (distance) P-C4' energy: -29.698
flat angles C4'-P-C4' energy: -33.524
flat angles P-C4'-P energy: -18.848
tors. eta vs tors. theta energy: -43.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -563.510641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.510641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.510641 (E_RNA)
where:
Base-Base interactions energy: -398.951
where: short stacking energy: -182.264
Base-Backbone interact. energy: -0.126
local terms energy: -164.434310
where:
bonds (distance) C4'-P energy: -26.522
bonds (distance) P-C4' energy: -29.139
flat angles C4'-P-C4' energy: -37.270
flat angles P-C4'-P energy: -20.755
tors. eta vs tors. theta energy: -50.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -495.596651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.596651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.596651 (E_RNA)
where:
Base-Base interactions energy: -346.575
where: short stacking energy: -134.987
Base-Backbone interact. energy: -0.501
local terms energy: -148.520419
where:
bonds (distance) C4'-P energy: -27.600
bonds (distance) P-C4' energy: -27.669
flat angles C4'-P-C4' energy: -34.600
flat angles P-C4'-P energy: -25.125
tors. eta vs tors. theta energy: -33.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -490.124677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.124677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.124677 (E_RNA)
where:
Base-Base interactions energy: -344.173
where: short stacking energy: -150.799
Base-Backbone interact. energy: -0.418
local terms energy: -145.534215
where:
bonds (distance) C4'-P energy: -24.165
bonds (distance) P-C4' energy: -28.108
flat angles C4'-P-C4' energy: -33.940
flat angles P-C4'-P energy: -21.787
tors. eta vs tors. theta energy: -37.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -441.731125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.731125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.731125 (E_RNA)
where:
Base-Base interactions energy: -304.175
where: short stacking energy: -120.636
Base-Backbone interact. energy: -0.792
local terms energy: -136.763977
where:
bonds (distance) C4'-P energy: -25.421
bonds (distance) P-C4' energy: -33.920
flat angles C4'-P-C4' energy: -25.188
flat angles P-C4'-P energy: -14.735
tors. eta vs tors. theta energy: -37.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -415.850496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.850496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.850496 (E_RNA)
where:
Base-Base interactions energy: -292.895
where: short stacking energy: -126.207
Base-Backbone interact. energy: -0.372
local terms energy: -122.583905
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -25.916
flat angles C4'-P-C4' energy: -27.490
flat angles P-C4'-P energy: -18.203
tors. eta vs tors. theta energy: -34.710
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: 10
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -317.094635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.094635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.094635 (E_RNA)
where:
Base-Base interactions energy: -197.306
where: short stacking energy: -101.755
Base-Backbone interact. energy: 4.419
local terms energy: -124.207484
where:
bonds (distance) C4'-P energy: -28.378
bonds (distance) P-C4' energy: -27.349
flat angles C4'-P-C4' energy: -26.832
flat angles P-C4'-P energy: -21.749
tors. eta vs tors. theta energy: -19.900
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: 4
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -244.206531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.206531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.206531 (E_RNA)
where:
Base-Base interactions energy: -157.660
where: short stacking energy: -63.722
Base-Backbone interact. energy: -0.614
local terms energy: -85.932207
where:
bonds (distance) C4'-P energy: -25.087
bonds (distance) P-C4' energy: -27.265
flat angles C4'-P-C4' energy: -22.235
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -1.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -592.210573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.210573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.210573 (E_RNA)
where:
Base-Base interactions energy: -421.469
where: short stacking energy: -171.554
Base-Backbone interact. energy: -0.508
local terms energy: -170.234385
where:
bonds (distance) C4'-P energy: -28.679
bonds (distance) P-C4' energy: -29.449
flat angles C4'-P-C4' energy: -35.317
flat angles P-C4'-P energy: -29.919
tors. eta vs tors. theta energy: -46.871
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: 2, replica: 8
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -543.395317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.395317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.395317 (E_RNA)
where:
Base-Base interactions energy: -382.213
where: short stacking energy: -171.589
Base-Backbone interact. energy: -0.710
local terms energy: -160.472324
where:
bonds (distance) C4'-P energy: -29.195
bonds (distance) P-C4' energy: -25.322
flat angles C4'-P-C4' energy: -37.318
flat angles P-C4'-P energy: -25.912
tors. eta vs tors. theta energy: -42.726
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: 5
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -555.544832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.544832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.544832 (E_RNA)
where:
Base-Base interactions energy: -398.709
where: short stacking energy: -166.258
Base-Backbone interact. energy: -0.111
local terms energy: -156.724571
where:
bonds (distance) C4'-P energy: -25.473
bonds (distance) P-C4' energy: -26.672
flat angles C4'-P-C4' energy: -37.040
flat angles P-C4'-P energy: -22.953
tors. eta vs tors. theta energy: -44.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -559.941549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.941549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.941549 (E_RNA)
where:
Base-Base interactions energy: -393.017
where: short stacking energy: -176.417
Base-Backbone interact. energy: -0.288
local terms energy: -166.635951
where:
bonds (distance) C4'-P energy: -27.828
bonds (distance) P-C4' energy: -28.538
flat angles C4'-P-C4' energy: -34.525
flat angles P-C4'-P energy: -25.260
tors. eta vs tors. theta energy: -50.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -503.019427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.019427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.019427 (E_RNA)
where:
Base-Base interactions energy: -351.887
where: short stacking energy: -149.382
Base-Backbone interact. energy: -0.518
local terms energy: -150.614145
where:
bonds (distance) C4'-P energy: -30.260
bonds (distance) P-C4' energy: -26.697
flat angles C4'-P-C4' energy: -34.876
flat angles P-C4'-P energy: -24.625
tors. eta vs tors. theta energy: -34.157
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: 6
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -505.498898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.498898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.498898 (E_RNA)
where:
Base-Base interactions energy: -350.404
where: short stacking energy: -134.037
Base-Backbone interact. energy: -1.007
local terms energy: -154.087716
where:
bonds (distance) C4'-P energy: -35.609
bonds (distance) P-C4' energy: -29.721
flat angles C4'-P-C4' energy: -32.712
flat angles P-C4'-P energy: -21.093
tors. eta vs tors. theta energy: -34.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -468.693515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.693515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.693515 (E_RNA)
where:
Base-Base interactions energy: -345.623
where: short stacking energy: -138.496
Base-Backbone interact. energy: -0.237
local terms energy: -122.833857
where:
bonds (distance) C4'-P energy: -25.496
bonds (distance) P-C4' energy: -25.725
flat angles C4'-P-C4' energy: -24.616
flat angles P-C4'-P energy: -16.649
tors. eta vs tors. theta energy: -30.347
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: 3
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -430.254468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.254468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.254468 (E_RNA)
where:
Base-Base interactions energy: -305.807
where: short stacking energy: -131.890
Base-Backbone interact. energy: -1.349
local terms energy: -123.098343
where:
bonds (distance) C4'-P energy: -24.944
bonds (distance) P-C4' energy: -26.174
flat angles C4'-P-C4' energy: -31.076
flat angles P-C4'-P energy: -15.365
tors. eta vs tors. theta energy: -25.539
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: 9, replica: 10
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -317.223188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.223188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.223188 (E_RNA)
where:
Base-Base interactions energy: -204.236
where: short stacking energy: -99.183
Base-Backbone interact. energy: -0.108
local terms energy: -112.879014
where:
bonds (distance) C4'-P energy: -28.136
bonds (distance) P-C4' energy: -27.247
flat angles C4'-P-C4' energy: -27.756
flat angles P-C4'-P energy: -5.679
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: 10, replica: 4
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -203.160060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.160060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.160060 (E_RNA)
where:
Base-Base interactions energy: -100.063
where: short stacking energy: -58.561
Base-Backbone interact. energy: -0.637
local terms energy: -102.459194
where:
bonds (distance) C4'-P energy: -29.673
bonds (distance) P-C4' energy: -22.249
flat angles C4'-P-C4' energy: -27.137
flat angles P-C4'-P energy: -14.510
tors. eta vs tors. theta energy: -8.890
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: 36
Temperature: 0.900000
Total energy: -596.879116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.879116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.879116 (E_RNA)
where:
Base-Base interactions energy: -422.713
where: short stacking energy: -173.682
Base-Backbone interact. energy: -1.465
local terms energy: -172.701416
where:
bonds (distance) C4'-P energy: -29.817
bonds (distance) P-C4' energy: -35.446
flat angles C4'-P-C4' energy: -31.969
flat angles P-C4'-P energy: -25.194
tors. eta vs tors. theta energy: -50.276
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: 2, replica: 8
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -557.379484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.379484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.379484 (E_RNA)
where:
Base-Base interactions energy: -386.696
where: short stacking energy: -167.589
Base-Backbone interact. energy: -0.916
local terms energy: -169.767571
where:
bonds (distance) C4'-P energy: -29.434
bonds (distance) P-C4' energy: -34.673
flat angles C4'-P-C4' energy: -34.488
flat angles P-C4'-P energy: -26.707
tors. eta vs tors. theta energy: -44.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -568.408772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.408772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.408772 (E_RNA)
where:
Base-Base interactions energy: -404.800
where: short stacking energy: -178.623
Base-Backbone interact. energy: 0.182
local terms energy: -163.790681
where:
bonds (distance) C4'-P energy: -31.241
bonds (distance) P-C4' energy: -27.609
flat angles C4'-P-C4' energy: -29.462
flat angles P-C4'-P energy: -26.076
tors. eta vs tors. theta energy: -49.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -546.560737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.560737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.560737 (E_RNA)
where:
Base-Base interactions energy: -382.459
where: short stacking energy: -159.719
Base-Backbone interact. energy: -0.638
local terms energy: -163.463068
where:
bonds (distance) C4'-P energy: -32.283
bonds (distance) P-C4' energy: -27.627
flat angles C4'-P-C4' energy: -38.694
flat angles P-C4'-P energy: -18.494
tors. eta vs tors. theta energy: -46.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -514.403747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.403747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.403747 (E_RNA)
where:
Base-Base interactions energy: -370.639
where: short stacking energy: -142.897
Base-Backbone interact. energy: -0.892
local terms energy: -142.873285
where:
bonds (distance) C4'-P energy: -31.358
bonds (distance) P-C4' energy: -27.238
flat angles C4'-P-C4' energy: -24.616
flat angles P-C4'-P energy: -24.571
tors. eta vs tors. theta energy: -35.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -496.784267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.784267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.784267 (E_RNA)
where:
Base-Base interactions energy: -359.301
where: short stacking energy: -160.194
Base-Backbone interact. energy: -1.223
local terms energy: -136.259907
where:
bonds (distance) C4'-P energy: -24.924
bonds (distance) P-C4' energy: -23.962
flat angles C4'-P-C4' energy: -30.043
flat angles P-C4'-P energy: -17.747
tors. eta vs tors. theta energy: -39.584
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: 1
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -474.604410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.604410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.604410 (E_RNA)
where:
Base-Base interactions energy: -347.322
where: short stacking energy: -139.047
Base-Backbone interact. energy: -0.225
local terms energy: -127.057410
where:
bonds (distance) C4'-P energy: -23.353
bonds (distance) P-C4' energy: -23.682
flat angles C4'-P-C4' energy: -23.404
flat angles P-C4'-P energy: -22.990
tors. eta vs tors. theta energy: -33.629
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: 3
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -402.858904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.858904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.858904 (E_RNA)
where:
Base-Base interactions energy: -288.942
where: short stacking energy: -105.093
Base-Backbone interact. energy: -0.497
local terms energy: -113.419200
where:
bonds (distance) C4'-P energy: -21.923
bonds (distance) P-C4' energy: -21.919
flat angles C4'-P-C4' energy: -30.352
flat angles P-C4'-P energy: -15.760
tors. eta vs tors. theta energy: -23.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -312.602719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.602719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.602719 (E_RNA)
where:
Base-Base interactions energy: -203.836
where: short stacking energy: -87.292
Base-Backbone interact. energy: -0.139
local terms energy: -108.627451
where:
bonds (distance) C4'-P energy: -28.872
bonds (distance) P-C4' energy: -32.357
flat angles C4'-P-C4' energy: -22.799
flat angles P-C4'-P energy: -13.198
tors. eta vs tors. theta energy: -11.401
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: 4
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -176.858665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.858665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.858665 (E_RNA)
where:
Base-Base interactions energy: -86.344
where: short stacking energy: -63.522
Base-Backbone interact. energy: -0.521
local terms energy: -89.993026
where:
bonds (distance) C4'-P energy: -20.550
bonds (distance) P-C4' energy: -27.476
flat angles C4'-P-C4' energy: -25.252
flat angles P-C4'-P energy: -6.545
tors. eta vs tors. theta energy: -10.169
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: 37
Temperature: 0.900000
Total energy: -597.282392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.282392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.282392 (E_RNA)
where:
Base-Base interactions energy: -418.363
where: short stacking energy: -173.978
Base-Backbone interact. energy: -0.900
local terms energy: -178.019090
where:
bonds (distance) C4'-P energy: -29.439
bonds (distance) P-C4' energy: -34.850
flat angles C4'-P-C4' energy: -33.807
flat angles P-C4'-P energy: -26.598
tors. eta vs tors. theta energy: -53.325
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: 37
Temperature: 0.950000
Total energy: -587.053919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.053919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.053919 (E_RNA)
where:
Base-Base interactions energy: -421.694
where: short stacking energy: -199.561
Base-Backbone interact. energy: -0.105
local terms energy: -165.254553
where:
bonds (distance) C4'-P energy: -29.203
bonds (distance) P-C4' energy: -24.547
flat angles C4'-P-C4' energy: -36.521
flat angles P-C4'-P energy: -22.903
tors. eta vs tors. theta energy: -52.081
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: 8
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -542.140065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.140065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.140065 (E_RNA)
where:
Base-Base interactions energy: -377.754
where: short stacking energy: -156.189
Base-Backbone interact. energy: -0.094
local terms energy: -164.292448
where:
bonds (distance) C4'-P energy: -31.181
bonds (distance) P-C4' energy: -33.467
flat angles C4'-P-C4' energy: -33.993
flat angles P-C4'-P energy: -20.377
tors. eta vs tors. theta energy: -45.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -528.313808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.313808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.313808 (E_RNA)
where:
Base-Base interactions energy: -364.944
where: short stacking energy: -155.510
Base-Backbone interact. energy: 1.009
local terms energy: -164.378737
where:
bonds (distance) C4'-P energy: -33.137
bonds (distance) P-C4' energy: -34.273
flat angles C4'-P-C4' energy: -28.687
flat angles P-C4'-P energy: -26.956
tors. eta vs tors. theta energy: -41.326
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: 5
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -535.790701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.790701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.790701 (E_RNA)
where:
Base-Base interactions energy: -381.529
where: short stacking energy: -151.583
Base-Backbone interact. energy: 1.232
local terms energy: -155.493846
where:
bonds (distance) C4'-P energy: -27.486
bonds (distance) P-C4' energy: -29.865
flat angles C4'-P-C4' energy: -31.849
flat angles P-C4'-P energy: -21.607
tors. eta vs tors. theta energy: -44.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -508.996756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.996756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.996756 (E_RNA)
where:
Base-Base interactions energy: -354.799
where: short stacking energy: -160.196
Base-Backbone interact. energy: -0.634
local terms energy: -153.563772
where:
bonds (distance) C4'-P energy: -29.883
bonds (distance) P-C4' energy: -28.950
flat angles C4'-P-C4' energy: -35.946
flat angles P-C4'-P energy: -19.489
tors. eta vs tors. theta energy: -39.295
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: 9
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -499.798279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.798279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.798279 (E_RNA)
where:
Base-Base interactions energy: -348.757
where: short stacking energy: -139.906
Base-Backbone interact. energy: -1.338
local terms energy: -149.702862
where:
bonds (distance) C4'-P energy: -22.870
bonds (distance) P-C4' energy: -36.003
flat angles C4'-P-C4' energy: -30.608
flat angles P-C4'-P energy: -22.648
tors. eta vs tors. theta energy: -37.573
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: 37
Temperature: 1.250000
Total energy: -342.175675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.175675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.175675 (E_RNA)
where:
Base-Base interactions energy: -213.061
where: short stacking energy: -98.069
Base-Backbone interact. energy: -0.262
local terms energy: -128.852814
where:
bonds (distance) C4'-P energy: -31.368
bonds (distance) P-C4' energy: -31.895
flat angles C4'-P-C4' energy: -26.574
flat angles P-C4'-P energy: -24.084
tors. eta vs tors. theta energy: -14.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -416.798918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.798918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.798918 (E_RNA)
where:
Base-Base interactions energy: -296.482
where: short stacking energy: -125.964
Base-Backbone interact. energy: 7.342
local terms energy: -127.658315
where:
bonds (distance) C4'-P energy: -28.746
bonds (distance) P-C4' energy: -27.402
flat angles C4'-P-C4' energy: -27.163
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -31.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -159.339024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.339024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.339024 (E_RNA)
where:
Base-Base interactions energy: -60.907
where: short stacking energy: -50.725
Base-Backbone interact. energy: -1.502
local terms energy: -96.929516
where:
bonds (distance) C4'-P energy: -28.148
bonds (distance) P-C4' energy: -22.289
flat angles C4'-P-C4' energy: -27.352
flat angles P-C4'-P energy: -13.411
tors. eta vs tors. theta energy: -5.730
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: 2
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -612.095460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.095460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.095460 (E_RNA)
where:
Base-Base interactions energy: -427.480
where: short stacking energy: -196.329
Base-Backbone interact. energy: -0.381
local terms energy: -184.234746
where:
bonds (distance) C4'-P energy: -33.158
bonds (distance) P-C4' energy: -36.515
flat angles C4'-P-C4' energy: -34.569
flat angles P-C4'-P energy: -29.192
tors. eta vs tors. theta energy: -50.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -586.570369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.570369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.570369 (E_RNA)
where:
Base-Base interactions energy: -410.299
where: short stacking energy: -169.492
Base-Backbone interact. energy: -0.105
local terms energy: -176.165605
where:
bonds (distance) C4'-P energy: -34.043
bonds (distance) P-C4' energy: -37.194
flat angles C4'-P-C4' energy: -36.723
flat angles P-C4'-P energy: -16.156
tors. eta vs tors. theta energy: -52.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -552.853450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.853450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.853450 (E_RNA)
where:
Base-Base interactions energy: -382.227
where: short stacking energy: -169.300
Base-Backbone interact. energy: -0.369
local terms energy: -170.257066
where:
bonds (distance) C4'-P energy: -32.021
bonds (distance) P-C4' energy: -30.655
flat angles C4'-P-C4' energy: -36.640
flat angles P-C4'-P energy: -27.153
tors. eta vs tors. theta energy: -43.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -541.306299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.306299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.306299 (E_RNA)
where:
Base-Base interactions energy: -386.998
where: short stacking energy: -150.700
Base-Backbone interact. energy: -1.636
local terms energy: -152.671607
where:
bonds (distance) C4'-P energy: -27.024
bonds (distance) P-C4' energy: -29.392
flat angles C4'-P-C4' energy: -27.361
flat angles P-C4'-P energy: -25.475
tors. eta vs tors. theta energy: -43.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -512.544603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.544603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.544603 (E_RNA)
where:
Base-Base interactions energy: -353.974
where: short stacking energy: -152.004
Base-Backbone interact. energy: -0.259
local terms energy: -158.311558
where:
bonds (distance) C4'-P energy: -23.902
bonds (distance) P-C4' energy: -32.834
flat angles C4'-P-C4' energy: -30.578
flat angles P-C4'-P energy: -24.161
tors. eta vs tors. theta energy: -46.837
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: 5
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -519.937747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.937747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.937747 (E_RNA)
where:
Base-Base interactions energy: -369.989
where: short stacking energy: -161.846
Base-Backbone interact. energy: 0.059
local terms energy: -150.007414
where:
bonds (distance) C4'-P energy: -28.460
bonds (distance) P-C4' energy: -26.798
flat angles C4'-P-C4' energy: -32.910
flat angles P-C4'-P energy: -20.328
tors. eta vs tors. theta energy: -41.511
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: 9
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -477.482981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.482981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.482981 (E_RNA)
where:
Base-Base interactions energy: -333.885
where: short stacking energy: -139.426
Base-Backbone interact. energy: -0.539
local terms energy: -143.058106
where:
bonds (distance) C4'-P energy: -24.921
bonds (distance) P-C4' energy: -33.772
flat angles C4'-P-C4' energy: -30.809
flat angles P-C4'-P energy: -21.289
tors. eta vs tors. theta energy: -32.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -348.265978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.265978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.265978 (E_RNA)
where:
Base-Base interactions energy: -218.154
where: short stacking energy: -104.126
Base-Backbone interact. energy: -0.205
local terms energy: -129.907198
where:
bonds (distance) C4'-P energy: -36.015
bonds (distance) P-C4' energy: -35.686
flat angles C4'-P-C4' energy: -21.604
flat angles P-C4'-P energy: -24.264
tors. eta vs tors. theta energy: -12.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -374.677875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.677875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.677875 (E_RNA)
where:
Base-Base interactions energy: -256.225
where: short stacking energy: -114.086
Base-Backbone interact. energy: 2.828
local terms energy: -121.280077
where:
bonds (distance) C4'-P energy: -27.430
bonds (distance) P-C4' energy: -29.504
flat angles C4'-P-C4' energy: -22.696
flat angles P-C4'-P energy: -18.870
tors. eta vs tors. theta energy: -22.781
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: 4
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -164.099432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.099432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.099432 (E_RNA)
where:
Base-Base interactions energy: -58.983
where: short stacking energy: -51.722
Base-Backbone interact. energy: -0.323
local terms energy: -104.794083
where:
bonds (distance) C4'-P energy: -22.394
bonds (distance) P-C4' energy: -33.934
flat angles C4'-P-C4' energy: -24.577
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -10.813
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: 2
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -590.365945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.365945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.365945 (E_RNA)
where:
Base-Base interactions energy: -414.679
where: short stacking energy: -185.105
Base-Backbone interact. energy: -2.271
local terms energy: -173.415670
where:
bonds (distance) C4'-P energy: -28.396
bonds (distance) P-C4' energy: -34.436
flat angles C4'-P-C4' energy: -35.271
flat angles P-C4'-P energy: -24.808
tors. eta vs tors. theta energy: -50.505
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: 2, replica: 8
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -556.091692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.091692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.091692 (E_RNA)
where:
Base-Base interactions energy: -383.871
where: short stacking energy: -161.820
Base-Backbone interact. energy: -0.525
local terms energy: -171.696021
where:
bonds (distance) C4'-P energy: -31.449
bonds (distance) P-C4' energy: -34.972
flat angles C4'-P-C4' energy: -35.937
flat angles P-C4'-P energy: -21.206
tors. eta vs tors. theta energy: -48.132
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: 3, replica: 7
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -560.190640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.190640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.190640 (E_RNA)
where:
Base-Base interactions energy: -405.108
where: short stacking energy: -171.902
Base-Backbone interact. energy: -0.102
local terms energy: -154.980914
where:
bonds (distance) C4'-P energy: -22.576
bonds (distance) P-C4' energy: -33.426
flat angles C4'-P-C4' energy: -29.761
flat angles P-C4'-P energy: -21.219
tors. eta vs tors. theta energy: -48.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -555.514399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.514399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.514399 (E_RNA)
where:
Base-Base interactions energy: -389.316
where: short stacking energy: -157.047
Base-Backbone interact. energy: -1.118
local terms energy: -165.079452
where:
bonds (distance) C4'-P energy: -32.571
bonds (distance) P-C4' energy: -29.148
flat angles C4'-P-C4' energy: -31.800
flat angles P-C4'-P energy: -27.632
tors. eta vs tors. theta energy: -43.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -505.468354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.468354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.468354 (E_RNA)
where:
Base-Base interactions energy: -351.113
where: short stacking energy: -152.417
Base-Backbone interact. energy: -0.739
local terms energy: -153.616296
where:
bonds (distance) C4'-P energy: -31.505
bonds (distance) P-C4' energy: -31.569
flat angles C4'-P-C4' energy: -31.626
flat angles P-C4'-P energy: -20.229
tors. eta vs tors. theta energy: -38.687
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: 39
Temperature: 1.150000
Total energy: -500.293742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.293742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.293742 (E_RNA)
where:
Base-Base interactions energy: -346.802
where: short stacking energy: -148.380
Base-Backbone interact. energy: -0.609
local terms energy: -152.882117
where:
bonds (distance) C4'-P energy: -24.530
bonds (distance) P-C4' energy: -29.645
flat angles C4'-P-C4' energy: -34.569
flat angles P-C4'-P energy: -22.542
tors. eta vs tors. theta energy: -41.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -470.763739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.763739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.763739 (E_RNA)
where:
Base-Base interactions energy: -332.185
where: short stacking energy: -133.499
Base-Backbone interact. energy: -1.182
local terms energy: -137.397463
where:
bonds (distance) C4'-P energy: -31.274
bonds (distance) P-C4' energy: -34.304
flat angles C4'-P-C4' energy: -32.859
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -27.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -349.257013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.257013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.257013 (E_RNA)
where:
Base-Base interactions energy: -225.147
where: short stacking energy: -93.071
Base-Backbone interact. energy: -0.389
local terms energy: -123.720113
where:
bonds (distance) C4'-P energy: -23.297
bonds (distance) P-C4' energy: -31.607
flat angles C4'-P-C4' energy: -26.747
flat angles P-C4'-P energy: -20.340
tors. eta vs tors. theta energy: -21.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -338.180522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.180522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.180522 (E_RNA)
where:
Base-Base interactions energy: -212.874
where: short stacking energy: -98.291
Base-Backbone interact. energy: 0.021
local terms energy: -125.327745
where:
bonds (distance) C4'-P energy: -23.238
bonds (distance) P-C4' energy: -30.149
flat angles C4'-P-C4' energy: -33.328
flat angles P-C4'-P energy: -15.168
tors. eta vs tors. theta energy: -23.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -150.274535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.274535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.274535 (E_RNA)
where:
Base-Base interactions energy: -49.253
where: short stacking energy: -46.886
Base-Backbone interact. energy: -1.014
local terms energy: -100.007250
where:
bonds (distance) C4'-P energy: -22.998
bonds (distance) P-C4' energy: -27.047
flat angles C4'-P-C4' energy: -24.066
flat angles P-C4'-P energy: -17.486
tors. eta vs tors. theta energy: -8.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -571.446644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.446644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.446644 (E_RNA)
where:
Base-Base interactions energy: -395.149
where: short stacking energy: -171.336
Base-Backbone interact. energy: -0.983
local terms energy: -175.315129
where:
bonds (distance) C4'-P energy: -26.863
bonds (distance) P-C4' energy: -34.864
flat angles C4'-P-C4' energy: -34.661
flat angles P-C4'-P energy: -29.576
tors. eta vs tors. theta energy: -49.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -584.893121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.893121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.893121 (E_RNA)
where:
Base-Base interactions energy: -406.050
where: short stacking energy: -175.999
Base-Backbone interact. energy: -0.027
local terms energy: -178.816198
where:
bonds (distance) C4'-P energy: -29.845
bonds (distance) P-C4' energy: -36.945
flat angles C4'-P-C4' energy: -34.979
flat angles P-C4'-P energy: -26.483
tors. eta vs tors. theta energy: -50.564
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: 3, replica: 6
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -550.826366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.826366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.826366 (E_RNA)
where:
Base-Base interactions energy: -393.061
where: short stacking energy: -155.922
Base-Backbone interact. energy: -0.809
local terms energy: -156.956062
where:
bonds (distance) C4'-P energy: -35.136
bonds (distance) P-C4' energy: -27.947
flat angles C4'-P-C4' energy: -33.056
flat angles P-C4'-P energy: -15.734
tors. eta vs tors. theta energy: -45.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -550.451350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.451350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.451350 (E_RNA)
where:
Base-Base interactions energy: -391.663
where: short stacking energy: -168.110
Base-Backbone interact. energy: -0.945
local terms energy: -157.844213
where:
bonds (distance) C4'-P energy: -27.770
bonds (distance) P-C4' energy: -31.054
flat angles C4'-P-C4' energy: -27.290
flat angles P-C4'-P energy: -22.860
tors. eta vs tors. theta energy: -48.870
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: 40
Temperature: 1.100000
Total energy: -519.471505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.471505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.471505 (E_RNA)
where:
Base-Base interactions energy: -360.466
where: short stacking energy: -162.815
Base-Backbone interact. energy: -0.195
local terms energy: -158.809783
where:
bonds (distance) C4'-P energy: -27.517
bonds (distance) P-C4' energy: -28.708
flat angles C4'-P-C4' energy: -31.380
flat angles P-C4'-P energy: -27.577
tors. eta vs tors. theta energy: -43.628
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: 40
Temperature: 1.150000
Total energy: -504.199414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.199414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.199414 (E_RNA)
where:
Base-Base interactions energy: -352.422
where: short stacking energy: -160.027
Base-Backbone interact. energy: -0.091
local terms energy: -151.686251
where:
bonds (distance) C4'-P energy: -27.316
bonds (distance) P-C4' energy: -28.662
flat angles C4'-P-C4' energy: -36.151
flat angles P-C4'-P energy: -16.826
tors. eta vs tors. theta energy: -42.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -488.798092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.798092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.798092 (E_RNA)
where:
Base-Base interactions energy: -341.274
where: short stacking energy: -138.461
Base-Backbone interact. energy: -0.958
local terms energy: -146.565684
where:
bonds (distance) C4'-P energy: -27.822
bonds (distance) P-C4' energy: -30.107
flat angles C4'-P-C4' energy: -38.468
flat angles P-C4'-P energy: -21.312
tors. eta vs tors. theta energy: -28.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -371.047066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.047066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.047066 (E_RNA)
where:
Base-Base interactions energy: -245.599
where: short stacking energy: -112.428
Base-Backbone interact. energy: -0.955
local terms energy: -124.493520
where:
bonds (distance) C4'-P energy: -25.939
bonds (distance) P-C4' energy: -27.790
flat angles C4'-P-C4' energy: -26.235
flat angles P-C4'-P energy: -16.473
tors. eta vs tors. theta energy: -28.058
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: 10
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -339.793624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.793624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.793624 (E_RNA)
where:
Base-Base interactions energy: -225.840
where: short stacking energy: -111.519
Base-Backbone interact. energy: -0.125
local terms energy: -113.829394
where:
bonds (distance) C4'-P energy: -31.180
bonds (distance) P-C4' energy: -19.328
flat angles C4'-P-C4' energy: -22.773
flat angles P-C4'-P energy: -18.583
tors. eta vs tors. theta energy: -21.965
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: 4
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -160.569598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.569598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.569598 (E_RNA)
where:
Base-Base interactions energy: -74.256
where: short stacking energy: -52.427
Base-Backbone interact. energy: -0.455
local terms energy: -85.858810
where:
bonds (distance) C4'-P energy: -21.242
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -28.129
flat angles P-C4'-P energy: -18.835
tors. eta vs tors. theta energy: 0.110
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: 8
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -579.017192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.017192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.017192 (E_RNA)
where:
Base-Base interactions energy: -405.832
where: short stacking energy: -176.318
Base-Backbone interact. energy: -0.189
local terms energy: -172.996761
where:
bonds (distance) C4'-P energy: -33.104
bonds (distance) P-C4' energy: -32.753
flat angles C4'-P-C4' energy: -34.851
flat angles P-C4'-P energy: -26.025
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: 2, replica: 2
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -574.168120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.168120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.168120 (E_RNA)
where:
Base-Base interactions energy: -399.148
where: short stacking energy: -169.600
Base-Backbone interact. energy: -0.458
local terms energy: -174.561986
where:
bonds (distance) C4'-P energy: -33.715
bonds (distance) P-C4' energy: -31.844
flat angles C4'-P-C4' energy: -39.897
flat angles P-C4'-P energy: -23.341
tors. eta vs tors. theta energy: -45.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -554.685232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.685232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.685232 (E_RNA)
where:
Base-Base interactions energy: -394.324
where: short stacking energy: -157.842
Base-Backbone interact. energy: -0.478
local terms energy: -159.883136
where:
bonds (distance) C4'-P energy: -25.073
bonds (distance) P-C4' energy: -33.957
flat angles C4'-P-C4' energy: -33.490
flat angles P-C4'-P energy: -23.688
tors. eta vs tors. theta energy: -43.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -551.672710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.672710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.672710 (E_RNA)
where:
Base-Base interactions energy: -388.604
where: short stacking energy: -162.313
Base-Backbone interact. energy: -0.992
local terms energy: -162.076984
where:
bonds (distance) C4'-P energy: -30.048
bonds (distance) P-C4' energy: -24.306
flat angles C4'-P-C4' energy: -34.389
flat angles P-C4'-P energy: -20.931
tors. eta vs tors. theta energy: -52.403
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: 1
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -508.599342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.599342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.599342 (E_RNA)
where:
Base-Base interactions energy: -356.664
where: short stacking energy: -155.275
Base-Backbone interact. energy: -0.654
local terms energy: -151.281027
where:
bonds (distance) C4'-P energy: -27.653
bonds (distance) P-C4' energy: -29.236
flat angles C4'-P-C4' energy: -32.351
flat angles P-C4'-P energy: -18.957
tors. eta vs tors. theta energy: -43.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -508.005274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.005274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.005274 (E_RNA)
where:
Base-Base interactions energy: -369.386
where: short stacking energy: -154.600
Base-Backbone interact. energy: 2.160
local terms energy: -140.779581
where:
bonds (distance) C4'-P energy: -22.593
bonds (distance) P-C4' energy: -23.427
flat angles C4'-P-C4' energy: -32.531
flat angles P-C4'-P energy: -17.454
tors. eta vs tors. theta energy: -44.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -487.229480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.229480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.229480 (E_RNA)
where:
Base-Base interactions energy: -349.946
where: short stacking energy: -143.884
Base-Backbone interact. energy: 0.168
local terms energy: -137.451944
where:
bonds (distance) C4'-P energy: -28.271
bonds (distance) P-C4' energy: -28.642
flat angles C4'-P-C4' energy: -31.259
flat angles P-C4'-P energy: -15.017
tors. eta vs tors. theta energy: -34.262
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: 8, replica: 3
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -376.924230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.924230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.924230 (E_RNA)
where:
Base-Base interactions energy: -263.852
where: short stacking energy: -91.881
Base-Backbone interact. energy: -1.636
local terms energy: -111.436002
where:
bonds (distance) C4'-P energy: -21.491
bonds (distance) P-C4' energy: -27.768
flat angles C4'-P-C4' energy: -27.785
flat angles P-C4'-P energy: -17.263
tors. eta vs tors. theta energy: -17.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -359.094039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.094039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.094039 (E_RNA)
where:
Base-Base interactions energy: -218.950
where: short stacking energy: -107.518
Base-Backbone interact. energy: -0.137
local terms energy: -140.006944
where:
bonds (distance) C4'-P energy: -24.940
bonds (distance) P-C4' energy: -35.221
flat angles C4'-P-C4' energy: -34.683
flat angles P-C4'-P energy: -19.637
tors. eta vs tors. theta energy: -25.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -164.359465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.359465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.359465 (E_RNA)
where:
Base-Base interactions energy: -69.194
where: short stacking energy: -47.600
Base-Backbone interact. energy: -1.102
local terms energy: -94.063072
where:
bonds (distance) C4'-P energy: -28.725
bonds (distance) P-C4' energy: -29.588
flat angles C4'-P-C4' energy: -27.672
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -0.382
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: 1, replica: 2
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -582.419902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.419902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.419902 (E_RNA)
where:
Base-Base interactions energy: -413.063
where: short stacking energy: -175.867
Base-Backbone interact. energy: -0.698
local terms energy: -168.659020
where:
bonds (distance) C4'-P energy: -32.741
bonds (distance) P-C4' energy: -36.593
flat angles C4'-P-C4' energy: -32.881
flat angles P-C4'-P energy: -17.583
tors. eta vs tors. theta energy: -48.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -564.534603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.534603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.534603 (E_RNA)
where:
Base-Base interactions energy: -387.412
where: short stacking energy: -163.582
Base-Backbone interact. energy: -0.844
local terms energy: -176.279102
where:
bonds (distance) C4'-P energy: -35.924
bonds (distance) P-C4' energy: -34.734
flat angles C4'-P-C4' energy: -36.069
flat angles P-C4'-P energy: -20.483
tors. eta vs tors. theta energy: -49.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -571.726489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.726489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.726489 (E_RNA)
where:
Base-Base interactions energy: -391.529
where: short stacking energy: -155.865
Base-Backbone interact. energy: -1.460
local terms energy: -178.737339
where:
bonds (distance) C4'-P energy: -31.417
bonds (distance) P-C4' energy: -35.728
flat angles C4'-P-C4' energy: -36.348
flat angles P-C4'-P energy: -26.964
tors. eta vs tors. theta energy: -48.281
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: 6
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -533.063696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.063696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.063696 (E_RNA)
where:
Base-Base interactions energy: -381.964
where: short stacking energy: -157.789
Base-Backbone interact. energy: -0.813
local terms energy: -150.286763
where:
bonds (distance) C4'-P energy: -30.745
bonds (distance) P-C4' energy: -32.071
flat angles C4'-P-C4' energy: -29.327
flat angles P-C4'-P energy: -16.444
tors. eta vs tors. theta energy: -41.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -521.796272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.796272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.796272 (E_RNA)
where:
Base-Base interactions energy: -356.856
where: short stacking energy: -156.531
Base-Backbone interact. energy: -0.191
local terms energy: -164.749824
where:
bonds (distance) C4'-P energy: -27.779
bonds (distance) P-C4' energy: -35.413
flat angles C4'-P-C4' energy: -34.111
flat angles P-C4'-P energy: -20.974
tors. eta vs tors. theta energy: -46.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -527.139241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.139241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.139241 (E_RNA)
where:
Base-Base interactions energy: -378.905
where: short stacking energy: -154.473
Base-Backbone interact. energy: 1.756
local terms energy: -149.989651
where:
bonds (distance) C4'-P energy: -24.691
bonds (distance) P-C4' energy: -34.293
flat angles C4'-P-C4' energy: -30.460
flat angles P-C4'-P energy: -24.283
tors. eta vs tors. theta energy: -36.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -483.823377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.823377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.823377 (E_RNA)
where:
Base-Base interactions energy: -351.461
where: short stacking energy: -148.448
Base-Backbone interact. energy: -1.058
local terms energy: -131.305298
where:
bonds (distance) C4'-P energy: -23.422
bonds (distance) P-C4' energy: -25.271
flat angles C4'-P-C4' energy: -30.013
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -42.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -370.556418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.556418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.556418 (E_RNA)
where:
Base-Base interactions energy: -246.061
where: short stacking energy: -104.438
Base-Backbone interact. energy: -0.757
local terms energy: -123.738465
where:
bonds (distance) C4'-P energy: -25.078
bonds (distance) P-C4' energy: -27.905
flat angles C4'-P-C4' energy: -29.900
flat angles P-C4'-P energy: -20.171
tors. eta vs tors. theta energy: -20.684
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: 10
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -360.051501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.051501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.051501 (E_RNA)
where:
Base-Base interactions energy: -232.992
where: short stacking energy: -103.927
Base-Backbone interact. energy: -0.244
local terms energy: -126.815710
where:
bonds (distance) C4'-P energy: -26.122
bonds (distance) P-C4' energy: -27.207
flat angles C4'-P-C4' energy: -30.014
flat angles P-C4'-P energy: -20.916
tors. eta vs tors. theta energy: -22.557
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: 4
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -153.282385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.282385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.282385 (E_RNA)
where:
Base-Base interactions energy: -70.355
where: short stacking energy: -55.096
Base-Backbone interact. energy: -0.588
local terms energy: -82.339407
where:
bonds (distance) C4'-P energy: -18.387
bonds (distance) P-C4' energy: -29.340
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -20.831
tors. eta vs tors. theta energy: 0.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -579.742347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.742347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.742347 (E_RNA)
where:
Base-Base interactions energy: -411.504
where: short stacking energy: -183.929
Base-Backbone interact. energy: -0.816
local terms energy: -167.422396
where:
bonds (distance) C4'-P energy: -32.579
bonds (distance) P-C4' energy: -21.415
flat angles C4'-P-C4' energy: -35.420
flat angles P-C4'-P energy: -26.201
tors. eta vs tors. theta energy: -51.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -570.582770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.582770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.582770 (E_RNA)
where:
Base-Base interactions energy: -397.812
where: short stacking energy: -173.813
Base-Backbone interact. energy: -0.598
local terms energy: -172.173419
where:
bonds (distance) C4'-P energy: -32.064
bonds (distance) P-C4' energy: -32.972
flat angles C4'-P-C4' energy: -28.834
flat angles P-C4'-P energy: -26.178
tors. eta vs tors. theta energy: -52.126
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: 8
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -551.768038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.768038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.768038 (E_RNA)
where:
Base-Base interactions energy: -392.781
where: short stacking energy: -172.956
Base-Backbone interact. energy: -0.393
local terms energy: -158.594190
where:
bonds (distance) C4'-P energy: -22.624
bonds (distance) P-C4' energy: -30.567
flat angles C4'-P-C4' energy: -35.506
flat angles P-C4'-P energy: -25.207
tors. eta vs tors. theta energy: -44.691
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: 6
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -527.129706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.129706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.129706 (E_RNA)
where:
Base-Base interactions energy: -375.034
where: short stacking energy: -171.665
Base-Backbone interact. energy: -0.171
local terms energy: -151.924719
where:
bonds (distance) C4'-P energy: -23.386
bonds (distance) P-C4' energy: -32.650
flat angles C4'-P-C4' energy: -31.387
flat angles P-C4'-P energy: -19.209
tors. eta vs tors. theta energy: -45.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -528.915895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.915895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.915895 (E_RNA)
where:
Base-Base interactions energy: -381.021
where: short stacking energy: -163.444
Base-Backbone interact. energy: -0.572
local terms energy: -147.322840
where:
bonds (distance) C4'-P energy: -21.637
bonds (distance) P-C4' energy: -29.337
flat angles C4'-P-C4' energy: -34.174
flat angles P-C4'-P energy: -20.160
tors. eta vs tors. theta energy: -42.015
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: 9
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -507.026368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.026368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.026368 (E_RNA)
where:
Base-Base interactions energy: -351.131
where: short stacking energy: -143.435
Base-Backbone interact. energy: -0.649
local terms energy: -155.246446
where:
bonds (distance) C4'-P energy: -24.224
bonds (distance) P-C4' energy: -33.219
flat angles C4'-P-C4' energy: -35.687
flat angles P-C4'-P energy: -19.578
tors. eta vs tors. theta energy: -42.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -502.236845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.236845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.236845 (E_RNA)
where:
Base-Base interactions energy: -364.309
where: short stacking energy: -140.515
Base-Backbone interact. energy: -2.818
local terms energy: -135.109488
where:
bonds (distance) C4'-P energy: -20.743
bonds (distance) P-C4' energy: -27.925
flat angles C4'-P-C4' energy: -32.662
flat angles P-C4'-P energy: -20.200
tors. eta vs tors. theta energy: -33.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -409.214278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.214278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.214278 (E_RNA)
where:
Base-Base interactions energy: -294.810
where: short stacking energy: -114.682
Base-Backbone interact. energy: -0.624
local terms energy: -113.780629
where:
bonds (distance) C4'-P energy: -18.316
bonds (distance) P-C4' energy: -28.835
flat angles C4'-P-C4' energy: -30.328
flat angles P-C4'-P energy: -14.655
tors. eta vs tors. theta energy: -21.646
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: 10
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -362.613450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.613450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.613450 (E_RNA)
where:
Base-Base interactions energy: -230.562
where: short stacking energy: -109.889
Base-Backbone interact. energy: -0.333
local terms energy: -131.719101
where:
bonds (distance) C4'-P energy: -28.205
bonds (distance) P-C4' energy: -30.210
flat angles C4'-P-C4' energy: -26.895
flat angles P-C4'-P energy: -22.393
tors. eta vs tors. theta energy: -24.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -161.197215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.197215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.197215 (E_RNA)
where:
Base-Base interactions energy: -68.674
where: short stacking energy: -69.401
Base-Backbone interact. energy: -0.337
local terms energy: -92.186248
where:
bonds (distance) C4'-P energy: -24.227
bonds (distance) P-C4' energy: -22.470
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -19.764
tors. eta vs tors. theta energy: -8.723
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: 44
Temperature: 0.900000
Total energy: -569.407769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.407769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.407769 (E_RNA)
where:
Base-Base interactions energy: -401.503
where: short stacking energy: -161.806
Base-Backbone interact. energy: -0.284
local terms energy: -167.620772
where:
bonds (distance) C4'-P energy: -33.941
bonds (distance) P-C4' energy: -30.554
flat angles C4'-P-C4' energy: -36.485
flat angles P-C4'-P energy: -22.253
tors. eta vs tors. theta energy: -44.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -568.815046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.815046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.815046 (E_RNA)
where:
Base-Base interactions energy: -392.558
where: short stacking energy: -172.186
Base-Backbone interact. energy: -0.762
local terms energy: -175.494362
where:
bonds (distance) C4'-P energy: -32.480
bonds (distance) P-C4' energy: -33.761
flat angles C4'-P-C4' energy: -37.862
flat angles P-C4'-P energy: -23.819
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: 3, replica: 6
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -542.276464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.276464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.276464 (E_RNA)
where:
Base-Base interactions energy: -372.085
where: short stacking energy: -152.175
Base-Backbone interact. energy: -0.794
local terms energy: -169.397994
where:
bonds (distance) C4'-P energy: -35.467
bonds (distance) P-C4' energy: -37.138
flat angles C4'-P-C4' energy: -33.311
flat angles P-C4'-P energy: -20.347
tors. eta vs tors. theta energy: -43.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -543.302558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.302558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.302558 (E_RNA)
where:
Base-Base interactions energy: -382.449
where: short stacking energy: -161.348
Base-Backbone interact. energy: -0.715
local terms energy: -160.137874
where:
bonds (distance) C4'-P energy: -33.824
bonds (distance) P-C4' energy: -29.090
flat angles C4'-P-C4' energy: -32.448
flat angles P-C4'-P energy: -22.418
tors. eta vs tors. theta energy: -42.357
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: 9
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -521.109819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.109819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.109819 (E_RNA)
where:
Base-Base interactions energy: -365.588
where: short stacking energy: -159.648
Base-Backbone interact. energy: -0.356
local terms energy: -155.165927
where:
bonds (distance) C4'-P energy: -23.262
bonds (distance) P-C4' energy: -32.310
flat angles C4'-P-C4' energy: -34.224
flat angles P-C4'-P energy: -23.594
tors. eta vs tors. theta energy: -41.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -488.971645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.971645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.971645 (E_RNA)
where:
Base-Base interactions energy: -354.643
where: short stacking energy: -167.212
Base-Backbone interact. energy: -0.710
local terms energy: -133.619283
where:
bonds (distance) C4'-P energy: -26.443
bonds (distance) P-C4' energy: -19.564
flat angles C4'-P-C4' energy: -30.171
flat angles P-C4'-P energy: -19.046
tors. eta vs tors. theta energy: -38.396
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: 1
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -504.770825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.770825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.770825 (E_RNA)
where:
Base-Base interactions energy: -360.164
where: short stacking energy: -150.653
Base-Backbone interact. energy: -0.765
local terms energy: -143.841612
where:
bonds (distance) C4'-P energy: -22.422
bonds (distance) P-C4' energy: -28.079
flat angles C4'-P-C4' energy: -26.841
flat angles P-C4'-P energy: -25.155
tors. eta vs tors. theta energy: -41.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -359.219616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.219616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.219616 (E_RNA)
where:
Base-Base interactions energy: -238.461
where: short stacking energy: -110.558
Base-Backbone interact. energy: 0.725
local terms energy: -121.483082
where:
bonds (distance) C4'-P energy: -23.264
bonds (distance) P-C4' energy: -28.177
flat angles C4'-P-C4' energy: -30.048
flat angles P-C4'-P energy: -16.129
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: 9, replica: 10
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -350.406430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.406430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.406430 (E_RNA)
where:
Base-Base interactions energy: -231.871
where: short stacking energy: -125.338
Base-Backbone interact. energy: -0.345
local terms energy: -118.190417
where:
bonds (distance) C4'-P energy: -19.304
bonds (distance) P-C4' energy: -27.541
flat angles C4'-P-C4' energy: -23.502
flat angles P-C4'-P energy: -20.747
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: 10, replica: 4
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -148.850056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.850056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.850056 (E_RNA)
where:
Base-Base interactions energy: -66.222
where: short stacking energy: -56.452
Base-Backbone interact. energy: -0.645
local terms energy: -81.983236
where:
bonds (distance) C4'-P energy: -17.405
bonds (distance) P-C4' energy: -30.912
flat angles C4'-P-C4' energy: -25.420
flat angles P-C4'-P energy: -15.046
tors. eta vs tors. theta energy: 6.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -573.048846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.048846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.048846 (E_RNA)
where:
Base-Base interactions energy: -405.114
where: short stacking energy: -163.573
Base-Backbone interact. energy: -0.562
local terms energy: -167.372917
where:
bonds (distance) C4'-P energy: -31.299
bonds (distance) P-C4' energy: -26.711
flat angles C4'-P-C4' energy: -37.815
flat angles P-C4'-P energy: -27.002
tors. eta vs tors. theta energy: -44.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -573.300545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.300545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.300545 (E_RNA)
where:
Base-Base interactions energy: -398.031
where: short stacking energy: -174.357
Base-Backbone interact. energy: -0.096
local terms energy: -175.174058
where:
bonds (distance) C4'-P energy: -29.644
bonds (distance) P-C4' energy: -33.804
flat angles C4'-P-C4' energy: -34.929
flat angles P-C4'-P energy: -24.203
tors. eta vs tors. theta energy: -52.594
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: 6
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -544.596347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.596347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.596347 (E_RNA)
where:
Base-Base interactions energy: -394.407
where: short stacking energy: -161.205
Base-Backbone interact. energy: 0.359
local terms energy: -150.547977
where:
bonds (distance) C4'-P energy: -29.410
bonds (distance) P-C4' energy: -32.857
flat angles C4'-P-C4' energy: -30.789
flat angles P-C4'-P energy: -19.855
tors. eta vs tors. theta energy: -37.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -536.255299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.255299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.255299 (E_RNA)
where:
Base-Base interactions energy: -377.124
where: short stacking energy: -156.946
Base-Backbone interact. energy: 1.465
local terms energy: -160.595721
where:
bonds (distance) C4'-P energy: -34.212
bonds (distance) P-C4' energy: -31.961
flat angles C4'-P-C4' energy: -36.018
flat angles P-C4'-P energy: -19.231
tors. eta vs tors. theta energy: -39.174
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: 8
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -532.174583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.174583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.174583 (E_RNA)
where:
Base-Base interactions energy: -367.302
where: short stacking energy: -153.157
Base-Backbone interact. energy: 0.971
local terms energy: -165.843023
where:
bonds (distance) C4'-P energy: -34.320
bonds (distance) P-C4' energy: -32.739
flat angles C4'-P-C4' energy: -29.790
flat angles P-C4'-P energy: -24.306
tors. eta vs tors. theta energy: -44.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -495.226186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.226186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.226186 (E_RNA)
where:
Base-Base interactions energy: -359.614
where: short stacking energy: -147.368
Base-Backbone interact. energy: -1.846
local terms energy: -133.766163
where:
bonds (distance) C4'-P energy: -24.055
bonds (distance) P-C4' energy: -26.316
flat angles C4'-P-C4' energy: -31.718
flat angles P-C4'-P energy: -15.067
tors. eta vs tors. theta energy: -36.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -467.976519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.976519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.976519 (E_RNA)
where:
Base-Base interactions energy: -319.275
where: short stacking energy: -139.865
Base-Backbone interact. energy: -0.811
local terms energy: -147.891042
where:
bonds (distance) C4'-P energy: -26.789
bonds (distance) P-C4' energy: -33.788
flat angles C4'-P-C4' energy: -25.296
flat angles P-C4'-P energy: -21.700
tors. eta vs tors. theta energy: -40.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -348.710445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.710445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.710445 (E_RNA)
where:
Base-Base interactions energy: -229.058
where: short stacking energy: -107.442
Base-Backbone interact. energy: 0.544
local terms energy: -120.196304
where:
bonds (distance) C4'-P energy: -21.891
bonds (distance) P-C4' energy: -31.741
flat angles C4'-P-C4' energy: -23.454
flat angles P-C4'-P energy: -22.007
tors. eta vs tors. theta energy: -21.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -369.571565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.571565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.571565 (E_RNA)
where:
Base-Base interactions energy: -242.206
where: short stacking energy: -117.652
Base-Backbone interact. energy: 0.449
local terms energy: -127.813899
where:
bonds (distance) C4'-P energy: -28.608
bonds (distance) P-C4' energy: -25.709
flat angles C4'-P-C4' energy: -31.531
flat angles P-C4'-P energy: -18.453
tors. eta vs tors. theta energy: -23.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -155.553591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.553591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.553591 (E_RNA)
where:
Base-Base interactions energy: -72.994
where: short stacking energy: -71.566
Base-Backbone interact. energy: 4.949
local terms energy: -87.508663
where:
bonds (distance) C4'-P energy: -23.717
bonds (distance) P-C4' energy: -24.124
flat angles C4'-P-C4' energy: -21.350
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -6.753
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: 7
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -581.642820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.642820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.642820 (E_RNA)
where:
Base-Base interactions energy: -404.099
where: short stacking energy: -166.719
Base-Backbone interact. energy: -0.615
local terms energy: -176.929177
where:
bonds (distance) C4'-P energy: -36.119
bonds (distance) P-C4' energy: -31.603
flat angles C4'-P-C4' energy: -39.398
flat angles P-C4'-P energy: -24.465
tors. eta vs tors. theta energy: -45.345
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: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -579.663889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.663889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.663889 (E_RNA)
where:
Base-Base interactions energy: -410.519
where: short stacking energy: -183.091
Base-Backbone interact. energy: -0.282
local terms energy: -168.862847
where:
bonds (distance) C4'-P energy: -27.845
bonds (distance) P-C4' energy: -32.993
flat angles C4'-P-C4' energy: -38.905
flat angles P-C4'-P energy: -21.968
tors. eta vs tors. theta energy: -47.151
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: 3, replica: 6
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -550.765218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.765218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.765218 (E_RNA)
where:
Base-Base interactions energy: -386.792
where: short stacking energy: -152.118
Base-Backbone interact. energy: -0.996
local terms energy: -162.977223
where:
bonds (distance) C4'-P energy: -33.956
bonds (distance) P-C4' energy: -28.833
flat angles C4'-P-C4' energy: -36.149
flat angles P-C4'-P energy: -21.865
tors. eta vs tors. theta energy: -42.174
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: 9
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -530.213834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.213834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.213834 (E_RNA)
where:
Base-Base interactions energy: -377.663
where: short stacking energy: -166.050
Base-Backbone interact. energy: -0.663
local terms energy: -151.887512
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -30.407
flat angles C4'-P-C4' energy: -35.497
flat angles P-C4'-P energy: -23.526
tors. eta vs tors. theta energy: -43.974
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: 5, replica: 1
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -517.180669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.180669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.180669 (E_RNA)
where:
Base-Base interactions energy: -365.237
where: short stacking energy: -161.572
Base-Backbone interact. energy: 0.667
local terms energy: -152.610587
where:
bonds (distance) C4'-P energy: -31.543
bonds (distance) P-C4' energy: -33.765
flat angles C4'-P-C4' energy: -29.044
flat angles P-C4'-P energy: -21.015
tors. eta vs tors. theta energy: -37.244
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: 8
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -523.943149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.943149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.943149 (E_RNA)
where:
Base-Base interactions energy: -376.111
where: short stacking energy: -157.107
Base-Backbone interact. energy: -0.950
local terms energy: -146.882145
where:
bonds (distance) C4'-P energy: -27.430
bonds (distance) P-C4' energy: -28.895
flat angles C4'-P-C4' energy: -27.948
flat angles P-C4'-P energy: -21.805
tors. eta vs tors. theta energy: -40.804
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: 5
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -501.207215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.207215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.207215 (E_RNA)
where:
Base-Base interactions energy: -357.584
where: short stacking energy: -152.834
Base-Backbone interact. energy: -0.358
local terms energy: -143.264686
where:
bonds (distance) C4'-P energy: -21.438
bonds (distance) P-C4' energy: -23.923
flat angles C4'-P-C4' energy: -36.103
flat angles P-C4'-P energy: -24.103
tors. eta vs tors. theta energy: -37.698
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: 8, replica: 10
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -362.619419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.619419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.619419 (E_RNA)
where:
Base-Base interactions energy: -232.016
where: short stacking energy: -123.615
Base-Backbone interact. energy: 0.664
local terms energy: -131.267189
where:
bonds (distance) C4'-P energy: -23.552
bonds (distance) P-C4' energy: -28.448
flat angles C4'-P-C4' energy: -24.635
flat angles P-C4'-P energy: -25.467
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: 9, replica: 3
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -388.206309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.206309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.206309 (E_RNA)
where:
Base-Base interactions energy: -264.687
where: short stacking energy: -105.190
Base-Backbone interact. energy: -0.668
local terms energy: -122.851287
where:
bonds (distance) C4'-P energy: -28.919
bonds (distance) P-C4' energy: -30.072
flat angles C4'-P-C4' energy: -28.101
flat angles P-C4'-P energy: -18.130
tors. eta vs tors. theta energy: -17.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -159.882318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.882318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.882318 (E_RNA)
where:
Base-Base interactions energy: -58.109
where: short stacking energy: -56.346
Base-Backbone interact. energy: -0.219
local terms energy: -101.554324
where:
bonds (distance) C4'-P energy: -27.982
bonds (distance) P-C4' energy: -31.311
flat angles C4'-P-C4' energy: -24.684
flat angles P-C4'-P energy: -13.896
tors. eta vs tors. theta energy: -3.682
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: 7
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -599.505388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.505388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.505388 (E_RNA)
where:
Base-Base interactions energy: -430.420
where: short stacking energy: -159.701
Base-Backbone interact. energy: -2.740
local terms energy: -166.345357
where:
bonds (distance) C4'-P energy: -30.745
bonds (distance) P-C4' energy: -32.602
flat angles C4'-P-C4' energy: -35.923
flat angles P-C4'-P energy: -21.775
tors. eta vs tors. theta energy: -45.301
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: 6
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -569.365679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.365679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.365679 (E_RNA)
where:
Base-Base interactions energy: -408.108
where: short stacking energy: -170.080
Base-Backbone interact. energy: -0.363
local terms energy: -160.894181
where:
bonds (distance) C4'-P energy: -24.973
bonds (distance) P-C4' energy: -33.166
flat angles C4'-P-C4' energy: -30.237
flat angles P-C4'-P energy: -28.987
tors. eta vs tors. theta energy: -43.531
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: 2
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -562.284523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.284523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.284523 (E_RNA)
where:
Base-Base interactions energy: -393.770
where: short stacking energy: -174.271
Base-Backbone interact. energy: -0.525
local terms energy: -167.989250
where:
bonds (distance) C4'-P energy: -34.627
bonds (distance) P-C4' energy: -30.590
flat angles C4'-P-C4' energy: -31.199
flat angles P-C4'-P energy: -22.260
tors. eta vs tors. theta energy: -49.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -531.553590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.553590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.553590 (E_RNA)
where:
Base-Base interactions energy: -361.840
where: short stacking energy: -158.118
Base-Backbone interact. energy: -2.668
local terms energy: -167.045399
where:
bonds (distance) C4'-P energy: -35.803
bonds (distance) P-C4' energy: -32.664
flat angles C4'-P-C4' energy: -34.033
flat angles P-C4'-P energy: -27.137
tors. eta vs tors. theta energy: -37.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -508.758329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.758329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.758329 (E_RNA)
where:
Base-Base interactions energy: -360.225
where: short stacking energy: -156.172
Base-Backbone interact. energy: -0.698
local terms energy: -147.835665
where:
bonds (distance) C4'-P energy: -27.791
bonds (distance) P-C4' energy: -28.185
flat angles C4'-P-C4' energy: -34.409
flat angles P-C4'-P energy: -13.818
tors. eta vs tors. theta energy: -43.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -524.639298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.639298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.639298 (E_RNA)
where:
Base-Base interactions energy: -361.971
where: short stacking energy: -150.747
Base-Backbone interact. energy: -0.801
local terms energy: -161.867902
where:
bonds (distance) C4'-P energy: -30.561
bonds (distance) P-C4' energy: -32.233
flat angles C4'-P-C4' energy: -31.522
flat angles P-C4'-P energy: -23.911
tors. eta vs tors. theta energy: -43.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -496.938803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.938803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.938803 (E_RNA)
where:
Base-Base interactions energy: -344.852
where: short stacking energy: -139.845
Base-Backbone interact. energy: -0.473
local terms energy: -151.613528
where:
bonds (distance) C4'-P energy: -24.515
bonds (distance) P-C4' energy: -31.655
flat angles C4'-P-C4' energy: -33.422
flat angles P-C4'-P energy: -19.758
tors. eta vs tors. theta energy: -42.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -369.472532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.472532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.472532 (E_RNA)
where:
Base-Base interactions energy: -244.857
where: short stacking energy: -109.901
Base-Backbone interact. energy: -0.231
local terms energy: -124.384925
where:
bonds (distance) C4'-P energy: -30.866
bonds (distance) P-C4' energy: -19.937
flat angles C4'-P-C4' energy: -31.288
flat angles P-C4'-P energy: -17.607
tors. eta vs tors. theta energy: -24.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -337.047032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.047032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.047032 (E_RNA)
where:
Base-Base interactions energy: -224.692
where: short stacking energy: -120.551
Base-Backbone interact. energy: -0.575
local terms energy: -111.779937
where:
bonds (distance) C4'-P energy: -25.404
bonds (distance) P-C4' energy: -25.170
flat angles C4'-P-C4' energy: -23.152
flat angles P-C4'-P energy: -14.110
tors. eta vs tors. theta energy: -23.944
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: 10, replica: 4
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -154.257756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.257756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.257756 (E_RNA)
where:
Base-Base interactions energy: -58.323
where: short stacking energy: -48.847
Base-Backbone interact. energy: 0.374
local terms energy: -96.308276
where:
bonds (distance) C4'-P energy: -27.585
bonds (distance) P-C4' energy: -28.416
flat angles C4'-P-C4' energy: -26.247
flat angles P-C4'-P energy: -14.847
tors. eta vs tors. theta energy: 0.787
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: 48
Temperature: 0.900000
Total energy: -596.703378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.703378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.703378 (E_RNA)
where:
Base-Base interactions energy: -419.068
where: short stacking energy: -172.535
Base-Backbone interact. energy: -0.456
local terms energy: -177.179999
where:
bonds (distance) C4'-P energy: -31.624
bonds (distance) P-C4' energy: -32.548
flat angles C4'-P-C4' energy: -36.820
flat angles P-C4'-P energy: -27.714
tors. eta vs tors. theta energy: -48.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -563.539117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.539117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.539117 (E_RNA)
where:
Base-Base interactions energy: -401.326
where: short stacking energy: -165.884
Base-Backbone interact. energy: -0.483
local terms energy: -161.729679
where:
bonds (distance) C4'-P energy: -24.924
bonds (distance) P-C4' energy: -31.748
flat angles C4'-P-C4' energy: -32.262
flat angles P-C4'-P energy: -27.351
tors. eta vs tors. theta energy: -45.443
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: 2
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -559.135253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.135253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.135253 (E_RNA)
where:
Base-Base interactions energy: -385.650
where: short stacking energy: -179.089
Base-Backbone interact. energy: 0.120
local terms energy: -173.605319
where:
bonds (distance) C4'-P energy: -28.049
bonds (distance) P-C4' energy: -37.294
flat angles C4'-P-C4' energy: -35.305
flat angles P-C4'-P energy: -24.532
tors. eta vs tors. theta energy: -48.426
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: 1
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -521.543648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.543648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.543648 (E_RNA)
where:
Base-Base interactions energy: -360.956
where: short stacking energy: -153.704
Base-Backbone interact. energy: -1.586
local terms energy: -159.001600
where:
bonds (distance) C4'-P energy: -28.008
bonds (distance) P-C4' energy: -36.178
flat angles C4'-P-C4' energy: -33.554
flat angles P-C4'-P energy: -23.905
tors. eta vs tors. theta energy: -37.356
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: 8
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -543.227052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.227052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.227052 (E_RNA)
where:
Base-Base interactions energy: -373.819
where: short stacking energy: -167.052
Base-Backbone interact. energy: -0.656
local terms energy: -168.752356
where:
bonds (distance) C4'-P energy: -32.826
bonds (distance) P-C4' energy: -31.123
flat angles C4'-P-C4' energy: -33.045
flat angles P-C4'-P energy: -24.196
tors. eta vs tors. theta energy: -47.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -526.575296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.575296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.575296 (E_RNA)
where:
Base-Base interactions energy: -366.141
where: short stacking energy: -162.192
Base-Backbone interact. energy: -0.467
local terms energy: -159.967743
where:
bonds (distance) C4'-P energy: -28.566
bonds (distance) P-C4' energy: -32.641
flat angles C4'-P-C4' energy: -33.256
flat angles P-C4'-P energy: -23.954
tors. eta vs tors. theta energy: -41.551
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: 5
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -502.601564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.601564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.601564 (E_RNA)
where:
Base-Base interactions energy: -350.002
where: short stacking energy: -162.021
Base-Backbone interact. energy: -0.399
local terms energy: -152.200195
where:
bonds (distance) C4'-P energy: -27.079
bonds (distance) P-C4' energy: -29.581
flat angles C4'-P-C4' energy: -33.943
flat angles P-C4'-P energy: -20.350
tors. eta vs tors. theta energy: -41.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -408.805908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.805908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.805908 (E_RNA)
where:
Base-Base interactions energy: -272.899
where: short stacking energy: -112.531
Base-Backbone interact. energy: -1.353
local terms energy: -134.554401
where:
bonds (distance) C4'-P energy: -23.130
bonds (distance) P-C4' energy: -27.733
flat angles C4'-P-C4' energy: -34.574
flat angles P-C4'-P energy: -20.770
tors. eta vs tors. theta energy: -28.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -365.913235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.913235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.913235 (E_RNA)
where:
Base-Base interactions energy: -241.916
where: short stacking energy: -117.886
Base-Backbone interact. energy: -0.936
local terms energy: -123.061783
where:
bonds (distance) C4'-P energy: -28.496
bonds (distance) P-C4' energy: -22.831
flat angles C4'-P-C4' energy: -21.538
flat angles P-C4'-P energy: -21.009
tors. eta vs tors. theta energy: -29.187
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: 4
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -158.845879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.845879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.845879 (E_RNA)
where:
Base-Base interactions energy: -71.209
where: short stacking energy: -50.448
Base-Backbone interact. energy: -0.368
local terms energy: -87.268972
where:
bonds (distance) C4'-P energy: -24.281
bonds (distance) P-C4' energy: -28.418
flat angles C4'-P-C4' energy: -26.332
flat angles P-C4'-P energy: -10.620
tors. eta vs tors. theta energy: 2.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -594.972430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.972430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.972430 (E_RNA)
where:
Base-Base interactions energy: -409.750
where: short stacking energy: -174.355
Base-Backbone interact. energy: -1.231
local terms energy: -183.991748
where:
bonds (distance) C4'-P energy: -34.844
bonds (distance) P-C4' energy: -33.613
flat angles C4'-P-C4' energy: -36.940
flat angles P-C4'-P energy: -23.933
tors. eta vs tors. theta energy: -54.663
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: 2, replica: 2
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -559.526564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.526564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.526564 (E_RNA)
where:
Base-Base interactions energy: -384.819
where: short stacking energy: -174.114
Base-Backbone interact. energy: 0.643
local terms energy: -175.350638
where:
bonds (distance) C4'-P energy: -30.267
bonds (distance) P-C4' energy: -33.227
flat angles C4'-P-C4' energy: -34.025
flat angles P-C4'-P energy: -27.632
tors. eta vs tors. theta energy: -50.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -555.060415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.060415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.060415 (E_RNA)
where:
Base-Base interactions energy: -401.135
where: short stacking energy: -160.488
Base-Backbone interact. energy: 2.467
local terms energy: -156.392461
where:
bonds (distance) C4'-P energy: -35.245
bonds (distance) P-C4' energy: -21.379
flat angles C4'-P-C4' energy: -30.735
flat angles P-C4'-P energy: -21.754
tors. eta vs tors. theta energy: -47.279
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: 4, replica: 8
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -547.808315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.808315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.808315 (E_RNA)
where:
Base-Base interactions energy: -391.136
where: short stacking energy: -151.024
Base-Backbone interact. energy: -1.216
local terms energy: -155.456514
where:
bonds (distance) C4'-P energy: -20.354
bonds (distance) P-C4' energy: -31.261
flat angles C4'-P-C4' energy: -37.358
flat angles P-C4'-P energy: -23.479
tors. eta vs tors. theta energy: -43.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -489.920111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.920111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.920111 (E_RNA)
where:
Base-Base interactions energy: -338.328
where: short stacking energy: -151.653
Base-Backbone interact. energy: -0.774
local terms energy: -150.817876
where:
bonds (distance) C4'-P energy: -28.359
bonds (distance) P-C4' energy: -28.920
flat angles C4'-P-C4' energy: -35.322
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -44.105
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: 49
Temperature: 1.150000
Total energy: -477.812474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.812474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.812474 (E_RNA)
where:
Base-Base interactions energy: -340.175
where: short stacking energy: -149.181
Base-Backbone interact. energy: 0.267
local terms energy: -137.904008
where:
bonds (distance) C4'-P energy: -23.250
bonds (distance) P-C4' energy: -21.376
flat angles C4'-P-C4' energy: -32.100
flat angles P-C4'-P energy: -18.056
tors. eta vs tors. theta energy: -43.121
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: 9
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -487.335866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.335866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.335866 (E_RNA)
where:
Base-Base interactions energy: -343.505
where: short stacking energy: -138.160
Base-Backbone interact. energy: 0.572
local terms energy: -144.402918
where:
bonds (distance) C4'-P energy: -25.587
bonds (distance) P-C4' energy: -30.337
flat angles C4'-P-C4' energy: -33.532
flat angles P-C4'-P energy: -22.939
tors. eta vs tors. theta energy: -32.009
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: 3
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -446.504489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.504489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.504489 (E_RNA)
where:
Base-Base interactions energy: -303.113
where: short stacking energy: -140.041
Base-Backbone interact. energy: 0.815
local terms energy: -144.206472
where:
bonds (distance) C4'-P energy: -30.697
bonds (distance) P-C4' energy: -29.438
flat angles C4'-P-C4' energy: -27.021
flat angles P-C4'-P energy: -18.777
tors. eta vs tors. theta energy: -38.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -372.069468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.069468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.069468 (E_RNA)
where:
Base-Base interactions energy: -242.667
where: short stacking energy: -105.657
Base-Backbone interact. energy: -0.391
local terms energy: -129.011825
where:
bonds (distance) C4'-P energy: -26.389
bonds (distance) P-C4' energy: -27.690
flat angles C4'-P-C4' energy: -29.354
flat angles P-C4'-P energy: -21.532
tors. eta vs tors. theta energy: -24.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -157.917863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.917863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.917863 (E_RNA)
where:
Base-Base interactions energy: -73.141
where: short stacking energy: -55.374
Base-Backbone interact. energy: 0.833
local terms energy: -85.610408
where:
bonds (distance) C4'-P energy: -24.389
bonds (distance) P-C4' energy: -28.713
flat angles C4'-P-C4' energy: -26.619
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: 5.735
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: 7
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -588.790089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.790089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.790089 (E_RNA)
where:
Base-Base interactions energy: -408.898
where: short stacking energy: -178.778
Base-Backbone interact. energy: -1.004
local terms energy: -178.888140
where:
bonds (distance) C4'-P energy: -36.306
bonds (distance) P-C4' energy: -34.602
flat angles C4'-P-C4' energy: -30.974
flat angles P-C4'-P energy: -25.852
tors. eta vs tors. theta energy: -51.154
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: 2
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -576.120045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.120045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.120045 (E_RNA)
where:
Base-Base interactions energy: -393.281
where: short stacking energy: -172.770
Base-Backbone interact. energy: -1.305
local terms energy: -181.533635
where:
bonds (distance) C4'-P energy: -29.692
bonds (distance) P-C4' energy: -36.824
flat angles C4'-P-C4' energy: -35.898
flat angles P-C4'-P energy: -29.072
tors. eta vs tors. theta energy: -50.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -554.661231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.661231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.661231 (E_RNA)
where:
Base-Base interactions energy: -397.714
where: short stacking energy: -169.898
Base-Backbone interact. energy: -0.304
local terms energy: -156.643387
where:
bonds (distance) C4'-P energy: -26.189
bonds (distance) P-C4' energy: -32.636
flat angles C4'-P-C4' energy: -31.488
flat angles P-C4'-P energy: -21.209
tors. eta vs tors. theta energy: -45.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -545.735021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.735021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.735021 (E_RNA)
where:
Base-Base interactions energy: -373.867
where: short stacking energy: -163.620
Base-Backbone interact. energy: -0.051
local terms energy: -171.816979
where:
bonds (distance) C4'-P energy: -34.367
bonds (distance) P-C4' energy: -34.270
flat angles C4'-P-C4' energy: -33.648
flat angles P-C4'-P energy: -24.288
tors. eta vs tors. theta energy: -45.245
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: 1
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -500.630593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.630593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.630593 (E_RNA)
where:
Base-Base interactions energy: -341.949
where: short stacking energy: -165.765
Base-Backbone interact. energy: -0.452
local terms energy: -158.230079
where:
bonds (distance) C4'-P energy: -28.884
bonds (distance) P-C4' energy: -29.654
flat angles C4'-P-C4' energy: -34.999
flat angles P-C4'-P energy: -23.077
tors. eta vs tors. theta energy: -41.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -502.190847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.190847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.190847 (E_RNA)
where:
Base-Base interactions energy: -340.606
where: short stacking energy: -152.380
Base-Backbone interact. energy: -0.174
local terms energy: -161.410564
where:
bonds (distance) C4'-P energy: -28.558
bonds (distance) P-C4' energy: -34.926
flat angles C4'-P-C4' energy: -32.028
flat angles P-C4'-P energy: -23.975
tors. eta vs tors. theta energy: -41.923
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: 9
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -499.088742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.088742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.088742 (E_RNA)
where:
Base-Base interactions energy: -353.769
where: short stacking energy: -158.662
Base-Backbone interact. energy: -0.368
local terms energy: -144.951357
where:
bonds (distance) C4'-P energy: -22.705
bonds (distance) P-C4' energy: -31.051
flat angles C4'-P-C4' energy: -30.283
flat angles P-C4'-P energy: -20.928
tors. eta vs tors. theta energy: -39.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -428.626040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.626040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.626040 (E_RNA)
where:
Base-Base interactions energy: -303.172
where: short stacking energy: -128.745
Base-Backbone interact. energy: 0.519
local terms energy: -125.972104
where:
bonds (distance) C4'-P energy: -28.810
bonds (distance) P-C4' energy: -27.238
flat angles C4'-P-C4' energy: -28.053
flat angles P-C4'-P energy: -18.555
tors. eta vs tors. theta energy: -23.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -364.274800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.274800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.274800 (E_RNA)
where:
Base-Base interactions energy: -233.108
where: short stacking energy: -115.880
Base-Backbone interact. energy: -0.378
local terms energy: -130.789452
where:
bonds (distance) C4'-P energy: -31.340
bonds (distance) P-C4' energy: -22.297
flat angles C4'-P-C4' energy: -31.981
flat angles P-C4'-P energy: -22.140
tors. eta vs tors. theta energy: -23.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -164.416227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.416227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.416227 (E_RNA)
where:
Base-Base interactions energy: -77.153
where: short stacking energy: -45.690
Base-Backbone interact. energy: -0.536
local terms energy: -86.727351
where:
bonds (distance) C4'-P energy: -30.561
bonds (distance) P-C4' energy: -22.450
flat angles C4'-P-C4' energy: -23.203
flat angles P-C4'-P energy: -19.551
tors. eta vs tors. theta energy: 9.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -590.597490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.597490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.597490 (E_RNA)
where:
Base-Base interactions energy: -414.591
where: short stacking energy: -170.477
Base-Backbone interact. energy: -0.132
local terms energy: -175.873888
where:
bonds (distance) C4'-P energy: -31.531
bonds (distance) P-C4' energy: -34.816
flat angles C4'-P-C4' energy: -37.799
flat angles P-C4'-P energy: -23.617
tors. eta vs tors. theta energy: -48.111
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: 6
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -545.693475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.693475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.693475 (E_RNA)
where:
Base-Base interactions energy: -390.580
where: short stacking energy: -152.805
Base-Backbone interact. energy: -1.218
local terms energy: -153.896300
where:
bonds (distance) C4'-P energy: -31.555
bonds (distance) P-C4' energy: -34.609
flat angles C4'-P-C4' energy: -30.670
flat angles P-C4'-P energy: -17.201
tors. eta vs tors. theta energy: -39.861
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: 3, replica: 2
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -552.223993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.223993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.223993 (E_RNA)
where:
Base-Base interactions energy: -382.705
where: short stacking energy: -163.813
Base-Backbone interact. energy: -0.421
local terms energy: -169.098291
where:
bonds (distance) C4'-P energy: -32.121
bonds (distance) P-C4' energy: -36.986
flat angles C4'-P-C4' energy: -35.656
flat angles P-C4'-P energy: -22.940
tors. eta vs tors. theta energy: -41.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -542.945335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.945335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.945335 (E_RNA)
where:
Base-Base interactions energy: -378.393
where: short stacking energy: -157.622
Base-Backbone interact. energy: -0.115
local terms energy: -164.437571
where:
bonds (distance) C4'-P energy: -32.640
bonds (distance) P-C4' energy: -25.568
flat angles C4'-P-C4' energy: -36.916
flat angles P-C4'-P energy: -26.218
tors. eta vs tors. theta energy: -43.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -481.042517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.042517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.042517 (E_RNA)
where:
Base-Base interactions energy: -340.670
where: short stacking energy: -148.190
Base-Backbone interact. energy: 0.709
local terms energy: -141.081204
where:
bonds (distance) C4'-P energy: -25.656
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -36.263
flat angles P-C4'-P energy: -21.831
tors. eta vs tors. theta energy: -37.790
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: 6, replica: 5
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -526.112359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.112359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.112359 (E_RNA)
where:
Base-Base interactions energy: -367.983
where: short stacking energy: -157.307
Base-Backbone interact. energy: -0.864
local terms energy: -157.265827
where:
bonds (distance) C4'-P energy: -32.105
bonds (distance) P-C4' energy: -30.674
flat angles C4'-P-C4' energy: -29.645
flat angles P-C4'-P energy: -22.165
tors. eta vs tors. theta energy: -42.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -480.044842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.044842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.044842 (E_RNA)
where:
Base-Base interactions energy: -337.351
where: short stacking energy: -143.674
Base-Backbone interact. energy: 0.378
local terms energy: -143.071315
where:
bonds (distance) C4'-P energy: -25.620
bonds (distance) P-C4' energy: -20.976
flat angles C4'-P-C4' energy: -33.993
flat angles P-C4'-P energy: -25.308
tors. eta vs tors. theta energy: -37.174
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: 3
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -392.092762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.092762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.092762 (E_RNA)
where:
Base-Base interactions energy: -266.791
where: short stacking energy: -112.861
Base-Backbone interact. energy: -0.849
local terms energy: -124.452351
where:
bonds (distance) C4'-P energy: -26.466
bonds (distance) P-C4' energy: -24.379
flat angles C4'-P-C4' energy: -32.783
flat angles P-C4'-P energy: -18.616
tors. eta vs tors. theta energy: -22.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -386.798989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.798989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.798989 (E_RNA)
where:
Base-Base interactions energy: -261.264
where: short stacking energy: -124.787
Base-Backbone interact. energy: -0.924
local terms energy: -124.611303
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -27.884
flat angles C4'-P-C4' energy: -33.864
flat angles P-C4'-P energy: -18.147
tors. eta vs tors. theta energy: -26.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -150.643620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.643620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.643620 (E_RNA)
where:
Base-Base interactions energy: -68.116
where: short stacking energy: -50.524
Base-Backbone interact. energy: -0.191
local terms energy: -82.336368
where:
bonds (distance) C4'-P energy: -25.833
bonds (distance) P-C4' energy: -21.272
flat angles C4'-P-C4' energy: -31.668
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: 3.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -592.113006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.113006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.113006 (E_RNA)
where:
Base-Base interactions energy: -426.838
where: short stacking energy: -175.269
Base-Backbone interact. energy: -2.244
local terms energy: -163.030607
where:
bonds (distance) C4'-P energy: -25.501
bonds (distance) P-C4' energy: -32.200
flat angles C4'-P-C4' energy: -35.463
flat angles P-C4'-P energy: -23.205
tors. eta vs tors. theta energy: -46.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -558.855352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.855352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.855352 (E_RNA)
where:
Base-Base interactions energy: -401.693
where: short stacking energy: -157.313
Base-Backbone interact. energy: -0.333
local terms energy: -156.829285
where:
bonds (distance) C4'-P energy: -25.424
bonds (distance) P-C4' energy: -28.760
flat angles C4'-P-C4' energy: -37.285
flat angles P-C4'-P energy: -24.811
tors. eta vs tors. theta energy: -40.549
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: 2
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -558.953554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.953554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.953554 (E_RNA)
where:
Base-Base interactions energy: -394.674
where: short stacking energy: -176.447
Base-Backbone interact. energy: -0.027
local terms energy: -164.252309
where:
bonds (distance) C4'-P energy: -25.735
bonds (distance) P-C4' energy: -32.663
flat angles C4'-P-C4' energy: -35.473
flat angles P-C4'-P energy: -24.023
tors. eta vs tors. theta energy: -46.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -552.099546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.099546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.099546 (E_RNA)
where:
Base-Base interactions energy: -389.223
where: short stacking energy: -166.263
Base-Backbone interact. energy: -0.431
local terms energy: -162.445344
where:
bonds (distance) C4'-P energy: -31.949
bonds (distance) P-C4' energy: -32.566
flat angles C4'-P-C4' energy: -32.965
flat angles P-C4'-P energy: -22.877
tors. eta vs tors. theta energy: -42.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -532.446537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.446537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.446537 (E_RNA)
where:
Base-Base interactions energy: -367.411
where: short stacking energy: -163.923
Base-Backbone interact. energy: -0.849
local terms energy: -164.186927
where:
bonds (distance) C4'-P energy: -32.175
bonds (distance) P-C4' energy: -32.239
flat angles C4'-P-C4' energy: -35.505
flat angles P-C4'-P energy: -20.047
tors. eta vs tors. theta energy: -44.221
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: 1
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -475.143361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.143361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.143361 (E_RNA)
where:
Base-Base interactions energy: -328.487
where: short stacking energy: -136.017
Base-Backbone interact. energy: -0.688
local terms energy: -145.968723
where:
bonds (distance) C4'-P energy: -29.016
bonds (distance) P-C4' energy: -27.385
flat angles C4'-P-C4' energy: -30.390
flat angles P-C4'-P energy: -22.463
tors. eta vs tors. theta energy: -36.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -484.235666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.235666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.235666 (E_RNA)
where:
Base-Base interactions energy: -338.007
where: short stacking energy: -143.809
Base-Backbone interact. energy: 9.796
local terms energy: -156.025004
where:
bonds (distance) C4'-P energy: -32.177
bonds (distance) P-C4' energy: -30.318
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -22.779
tors. eta vs tors. theta energy: -35.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -411.674279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.674279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.674279 (E_RNA)
where:
Base-Base interactions energy: -288.985
where: short stacking energy: -109.363
Base-Backbone interact. energy: -0.187
local terms energy: -122.501331
where:
bonds (distance) C4'-P energy: -21.536
bonds (distance) P-C4' energy: -32.686
flat angles C4'-P-C4' energy: -33.081
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -25.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -379.259379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.259379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.259379 (E_RNA)
where:
Base-Base interactions energy: -247.842
where: short stacking energy: -117.617
Base-Backbone interact. energy: -0.300
local terms energy: -131.116943
where:
bonds (distance) C4'-P energy: -27.825
bonds (distance) P-C4' energy: -31.843
flat angles C4'-P-C4' energy: -28.637
flat angles P-C4'-P energy: -15.327
tors. eta vs tors. theta energy: -27.485
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: 4
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -182.898552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.898552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.898552 (E_RNA)
where:
Base-Base interactions energy: -97.906
where: short stacking energy: -51.627
Base-Backbone interact. energy: -0.317
local terms energy: -84.675461
where:
bonds (distance) C4'-P energy: -33.254
bonds (distance) P-C4' energy: -20.046
flat angles C4'-P-C4' energy: -24.365
flat angles P-C4'-P energy: -18.193
tors. eta vs tors. theta energy: 11.184
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: 53
Temperature: 0.900000
Total energy: -585.443049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.443049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.443049 (E_RNA)
where:
Base-Base interactions energy: -410.782
where: short stacking energy: -164.624
Base-Backbone interact. energy: -1.808
local terms energy: -172.852835
where:
bonds (distance) C4'-P energy: -29.564
bonds (distance) P-C4' energy: -31.075
flat angles C4'-P-C4' energy: -37.078
flat angles P-C4'-P energy: -27.560
tors. eta vs tors. theta energy: -47.575
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: 53
Temperature: 0.950000
Total energy: -559.121366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.121366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.121366 (E_RNA)
where:
Base-Base interactions energy: -388.584
where: short stacking energy: -171.029
Base-Backbone interact. energy: -0.042
local terms energy: -170.495028
where:
bonds (distance) C4'-P energy: -32.550
bonds (distance) P-C4' energy: -29.538
flat angles C4'-P-C4' energy: -39.792
flat angles P-C4'-P energy: -24.491
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: 3, replica: 6
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -552.599141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.599141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.599141 (E_RNA)
where:
Base-Base interactions energy: -384.453
where: short stacking energy: -156.959
Base-Backbone interact. energy: -0.684
local terms energy: -167.462074
where:
bonds (distance) C4'-P energy: -33.289
bonds (distance) P-C4' energy: -35.312
flat angles C4'-P-C4' energy: -33.840
flat angles P-C4'-P energy: -21.887
tors. eta vs tors. theta energy: -43.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -537.920907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.920907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.920907 (E_RNA)
where:
Base-Base interactions energy: -378.062
where: short stacking energy: -165.849
Base-Backbone interact. energy: -0.328
local terms energy: -159.531026
where:
bonds (distance) C4'-P energy: -29.236
bonds (distance) P-C4' energy: -32.803
flat angles C4'-P-C4' energy: -31.077
flat angles P-C4'-P energy: -20.270
tors. eta vs tors. theta energy: -46.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -530.179672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.179672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.179672 (E_RNA)
where:
Base-Base interactions energy: -369.469
where: short stacking energy: -155.386
Base-Backbone interact. energy: -0.915
local terms energy: -159.795388
where:
bonds (distance) C4'-P energy: -25.950
bonds (distance) P-C4' energy: -32.516
flat angles C4'-P-C4' energy: -36.988
flat angles P-C4'-P energy: -20.604
tors. eta vs tors. theta energy: -43.739
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: 6, replica: 9
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -497.318510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.318510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.318510 (E_RNA)
where:
Base-Base interactions energy: -336.889
where: short stacking energy: -153.095
Base-Backbone interact. energy: 2.457
local terms energy: -162.886890
where:
bonds (distance) C4'-P energy: -37.538
bonds (distance) P-C4' energy: -30.165
flat angles C4'-P-C4' energy: -37.385
flat angles P-C4'-P energy: -19.297
tors. eta vs tors. theta energy: -38.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -469.291932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.291932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.291932 (E_RNA)
where:
Base-Base interactions energy: -327.546
where: short stacking energy: -135.407
Base-Backbone interact. energy: 0.087
local terms energy: -141.832210
where:
bonds (distance) C4'-P energy: -20.056
bonds (distance) P-C4' energy: -31.537
flat angles C4'-P-C4' energy: -33.545
flat angles P-C4'-P energy: -23.857
tors. eta vs tors. theta energy: -32.837
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: 8, replica: 10
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -379.148937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.148937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.148937 (E_RNA)
where:
Base-Base interactions energy: -255.809
where: short stacking energy: -123.456
Base-Backbone interact. energy: -0.116
local terms energy: -123.223581
where:
bonds (distance) C4'-P energy: -20.488
bonds (distance) P-C4' energy: -32.691
flat angles C4'-P-C4' energy: -19.554
flat angles P-C4'-P energy: -19.491
tors. eta vs tors. theta energy: -31.000
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: 3
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -393.156340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.156340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.156340 (E_RNA)
where:
Base-Base interactions energy: -269.709
where: short stacking energy: -118.812
Base-Backbone interact. energy: -0.507
local terms energy: -122.940383
where:
bonds (distance) C4'-P energy: -29.124
bonds (distance) P-C4' energy: -19.966
flat angles C4'-P-C4' energy: -23.319
flat angles P-C4'-P energy: -17.366
tors. eta vs tors. theta energy: -33.165
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: 4
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -178.925332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.925332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.925332 (E_RNA)
where:
Base-Base interactions energy: -91.454
where: short stacking energy: -41.300
Base-Backbone interact. energy: -0.106
local terms energy: -87.365974
where:
bonds (distance) C4'-P energy: -22.662
bonds (distance) P-C4' energy: -27.716
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -15.135
tors. eta vs tors. theta energy: -5.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -565.868025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.868025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.868025 (E_RNA)
where:
Base-Base interactions energy: -396.746
where: short stacking energy: -173.092
Base-Backbone interact. energy: -0.044
local terms energy: -169.077843
where:
bonds (distance) C4'-P energy: -34.584
bonds (distance) P-C4' energy: -25.957
flat angles C4'-P-C4' energy: -34.163
flat angles P-C4'-P energy: -28.776
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: 2, replica: 7
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -580.246483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.246483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.246483 (E_RNA)
where:
Base-Base interactions energy: -407.647
where: short stacking energy: -166.949
Base-Backbone interact. energy: -2.522
local terms energy: -170.077184
where:
bonds (distance) C4'-P energy: -35.361
bonds (distance) P-C4' energy: -34.372
flat angles C4'-P-C4' energy: -30.422
flat angles P-C4'-P energy: -22.557
tors. eta vs tors. theta energy: -47.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -535.154268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.154268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.154268 (E_RNA)
where:
Base-Base interactions energy: -377.429
where: short stacking energy: -153.980
Base-Backbone interact. energy: -0.413
local terms energy: -157.312742
where:
bonds (distance) C4'-P energy: -31.725
bonds (distance) P-C4' energy: -32.150
flat angles C4'-P-C4' energy: -33.339
flat angles P-C4'-P energy: -19.462
tors. eta vs tors. theta energy: -40.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -531.286140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.286140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.286140 (E_RNA)
where:
Base-Base interactions energy: -368.471
where: short stacking energy: -171.176
Base-Backbone interact. energy: -1.634
local terms energy: -161.181078
where:
bonds (distance) C4'-P energy: -31.186
bonds (distance) P-C4' energy: -24.943
flat angles C4'-P-C4' energy: -33.935
flat angles P-C4'-P energy: -21.881
tors. eta vs tors. theta energy: -49.236
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: 8
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -542.104065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.104065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.104065 (E_RNA)
where:
Base-Base interactions energy: -369.143
where: short stacking energy: -162.170
Base-Backbone interact. energy: -0.236
local terms energy: -172.724682
where:
bonds (distance) C4'-P energy: -35.977
bonds (distance) P-C4' energy: -36.952
flat angles C4'-P-C4' energy: -30.284
flat angles P-C4'-P energy: -21.479
tors. eta vs tors. theta energy: -48.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -498.680570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.680570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.680570 (E_RNA)
where:
Base-Base interactions energy: -343.044
where: short stacking energy: -140.044
Base-Backbone interact. energy: 0.921
local terms energy: -156.557276
where:
bonds (distance) C4'-P energy: -28.806
bonds (distance) P-C4' energy: -33.534
flat angles C4'-P-C4' energy: -30.805
flat angles P-C4'-P energy: -24.817
tors. eta vs tors. theta energy: -38.595
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: 7, replica: 1
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -448.164599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.164599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.164599 (E_RNA)
where:
Base-Base interactions energy: -304.709
where: short stacking energy: -146.599
Base-Backbone interact. energy: -1.643
local terms energy: -141.812722
where:
bonds (distance) C4'-P energy: -25.510
bonds (distance) P-C4' energy: -26.279
flat angles C4'-P-C4' energy: -37.059
flat angles P-C4'-P energy: -17.128
tors. eta vs tors. theta energy: -35.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -378.604767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.604767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.604767 (E_RNA)
where:
Base-Base interactions energy: -244.081
where: short stacking energy: -111.651
Base-Backbone interact. energy: -0.045
local terms energy: -134.478498
where:
bonds (distance) C4'-P energy: -22.108
bonds (distance) P-C4' energy: -28.608
flat angles C4'-P-C4' energy: -33.597
flat angles P-C4'-P energy: -24.032
tors. eta vs tors. theta energy: -26.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -349.287281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.287281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.287281 (E_RNA)
where:
Base-Base interactions energy: -229.091
where: short stacking energy: -86.067
Base-Backbone interact. energy: 0.719
local terms energy: -120.915045
where:
bonds (distance) C4'-P energy: -25.920
bonds (distance) P-C4' energy: -28.700
flat angles C4'-P-C4' energy: -32.709
flat angles P-C4'-P energy: -20.809
tors. eta vs tors. theta energy: -12.777
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: 4
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -215.172491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.172491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.172491 (E_RNA)
where:
Base-Base interactions energy: -121.161
where: short stacking energy: -75.946
Base-Backbone interact. energy: 0.558
local terms energy: -94.569337
where:
bonds (distance) C4'-P energy: -30.647
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -23.321
flat angles P-C4'-P energy: -19.583
tors. eta vs tors. theta energy: -5.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -577.666803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.666803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.666803 (E_RNA)
where:
Base-Base interactions energy: -413.851
where: short stacking energy: -183.978
Base-Backbone interact. energy: 0.227
local terms energy: -164.042960
where:
bonds (distance) C4'-P energy: -32.828
bonds (distance) P-C4' energy: -34.469
flat angles C4'-P-C4' energy: -31.432
flat angles P-C4'-P energy: -19.773
tors. eta vs tors. theta energy: -45.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -576.199980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.199980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.199980 (E_RNA)
where:
Base-Base interactions energy: -413.578
where: short stacking energy: -161.480
Base-Backbone interact. energy: -0.519
local terms energy: -162.102679
where:
bonds (distance) C4'-P energy: -28.531
bonds (distance) P-C4' energy: -30.612
flat angles C4'-P-C4' energy: -35.983
flat angles P-C4'-P energy: -22.025
tors. eta vs tors. theta energy: -44.952
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: 6
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -534.038223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.038223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.038223 (E_RNA)
where:
Base-Base interactions energy: -369.620
where: short stacking energy: -168.227
Base-Backbone interact. energy: -0.174
local terms energy: -164.244187
where:
bonds (distance) C4'-P energy: -27.026
bonds (distance) P-C4' energy: -28.001
flat angles C4'-P-C4' energy: -34.982
flat angles P-C4'-P energy: -30.716
tors. eta vs tors. theta energy: -43.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -537.004719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.004719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.004719 (E_RNA)
where:
Base-Base interactions energy: -386.519
where: short stacking energy: -168.392
Base-Backbone interact. energy: -0.008
local terms energy: -150.477655
where:
bonds (distance) C4'-P energy: -27.487
bonds (distance) P-C4' energy: -22.770
flat angles C4'-P-C4' energy: -32.084
flat angles P-C4'-P energy: -23.508
tors. eta vs tors. theta energy: -44.629
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: 5
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -514.412233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.412233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.412233 (E_RNA)
where:
Base-Base interactions energy: -357.134
where: short stacking energy: -150.686
Base-Backbone interact. energy: -0.113
local terms energy: -157.165082
where:
bonds (distance) C4'-P energy: -34.631
bonds (distance) P-C4' energy: -34.533
flat angles C4'-P-C4' energy: -35.221
flat angles P-C4'-P energy: -14.003
tors. eta vs tors. theta energy: -38.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -479.608176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.608176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.608176 (E_RNA)
where:
Base-Base interactions energy: -334.209
where: short stacking energy: -142.759
Base-Backbone interact. energy: -0.253
local terms energy: -145.146300
where:
bonds (distance) C4'-P energy: -27.038
bonds (distance) P-C4' energy: -30.953
flat angles C4'-P-C4' energy: -32.185
flat angles P-C4'-P energy: -20.196
tors. eta vs tors. theta energy: -34.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -432.271182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.271182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.271182 (E_RNA)
where:
Base-Base interactions energy: -294.824
where: short stacking energy: -142.331
Base-Backbone interact. energy: 0.053
local terms energy: -137.500260
where:
bonds (distance) C4'-P energy: -24.604
bonds (distance) P-C4' energy: -27.408
flat angles C4'-P-C4' energy: -27.387
flat angles P-C4'-P energy: -21.938
tors. eta vs tors. theta energy: -36.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -401.373391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.373391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.373391 (E_RNA)
where:
Base-Base interactions energy: -274.986
where: short stacking energy: -126.019
Base-Backbone interact. energy: 0.107
local terms energy: -126.494531
where:
bonds (distance) C4'-P energy: -26.990
bonds (distance) P-C4' energy: -25.828
flat angles C4'-P-C4' energy: -27.425
flat angles P-C4'-P energy: -18.188
tors. eta vs tors. theta energy: -28.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -356.141346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.141346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.141346 (E_RNA)
where:
Base-Base interactions energy: -237.364
where: short stacking energy: -97.033
Base-Backbone interact. energy: -0.805
local terms energy: -117.971992
where:
bonds (distance) C4'-P energy: -31.480
bonds (distance) P-C4' energy: -20.467
flat angles C4'-P-C4' energy: -32.488
flat angles P-C4'-P energy: -17.887
tors. eta vs tors. theta energy: -15.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -253.068688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.068688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.068688 (E_RNA)
where:
Base-Base interactions energy: -153.664
where: short stacking energy: -70.066
Base-Backbone interact. energy: -0.528
local terms energy: -98.876112
where:
bonds (distance) C4'-P energy: -27.810
bonds (distance) P-C4' energy: -25.381
flat angles C4'-P-C4' energy: -20.989
flat angles P-C4'-P energy: -18.718
tors. eta vs tors. theta energy: -5.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -578.003833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.003833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.003833 (E_RNA)
where:
Base-Base interactions energy: -409.515
where: short stacking energy: -176.839
Base-Backbone interact. energy: -0.031
local terms energy: -168.456936
where:
bonds (distance) C4'-P energy: -29.636
bonds (distance) P-C4' energy: -30.071
flat angles C4'-P-C4' energy: -34.555
flat angles P-C4'-P energy: -27.688
tors. eta vs tors. theta energy: -46.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -574.227703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.227703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.227703 (E_RNA)
where:
Base-Base interactions energy: -412.001
where: short stacking energy: -172.643
Base-Backbone interact. energy: -2.013
local terms energy: -160.214184
where:
bonds (distance) C4'-P energy: -29.738
bonds (distance) P-C4' energy: -27.789
flat angles C4'-P-C4' energy: -31.227
flat angles P-C4'-P energy: -25.818
tors. eta vs tors. theta energy: -45.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -551.540395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.540395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.540395 (E_RNA)
where:
Base-Base interactions energy: -393.454
where: short stacking energy: -158.323
Base-Backbone interact. energy: -1.749
local terms energy: -156.337279
where:
bonds (distance) C4'-P energy: -24.446
bonds (distance) P-C4' energy: -30.766
flat angles C4'-P-C4' energy: -29.528
flat angles P-C4'-P energy: -28.675
tors. eta vs tors. theta energy: -42.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -535.418832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.418832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.418832 (E_RNA)
where:
Base-Base interactions energy: -378.116
where: short stacking energy: -156.224
Base-Backbone interact. energy: 2.794
local terms energy: -160.097441
where:
bonds (distance) C4'-P energy: -30.790
bonds (distance) P-C4' energy: -31.878
flat angles C4'-P-C4' energy: -36.789
flat angles P-C4'-P energy: -17.327
tors. eta vs tors. theta energy: -43.314
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: 5
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -532.343659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.343659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.343659 (E_RNA)
where:
Base-Base interactions energy: -374.027
where: short stacking energy: -158.923
Base-Backbone interact. energy: -0.137
local terms energy: -158.179517
where:
bonds (distance) C4'-P energy: -27.142
bonds (distance) P-C4' energy: -29.309
flat angles C4'-P-C4' energy: -37.177
flat angles P-C4'-P energy: -19.887
tors. eta vs tors. theta energy: -44.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -489.874389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.874389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.874389 (E_RNA)
where:
Base-Base interactions energy: -349.065
where: short stacking energy: -158.036
Base-Backbone interact. energy: -1.746
local terms energy: -139.063243
where:
bonds (distance) C4'-P energy: -25.527
bonds (distance) P-C4' energy: -26.064
flat angles C4'-P-C4' energy: -34.369
flat angles P-C4'-P energy: -16.764
tors. eta vs tors. theta energy: -36.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -428.134391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.134391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.134391 (E_RNA)
where:
Base-Base interactions energy: -290.923
where: short stacking energy: -134.324
Base-Backbone interact. energy: -0.505
local terms energy: -136.706552
where:
bonds (distance) C4'-P energy: -25.858
bonds (distance) P-C4' energy: -27.617
flat angles C4'-P-C4' energy: -32.794
flat angles P-C4'-P energy: -19.093
tors. eta vs tors. theta energy: -31.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -383.259371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.259371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.259371 (E_RNA)
where:
Base-Base interactions energy: -244.396
where: short stacking energy: -108.101
Base-Backbone interact. energy: 0.198
local terms energy: -139.062053
where:
bonds (distance) C4'-P energy: -32.951
bonds (distance) P-C4' energy: -34.811
flat angles C4'-P-C4' energy: -27.033
flat angles P-C4'-P energy: -22.959
tors. eta vs tors. theta energy: -21.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -327.550234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.550234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.550234 (E_RNA)
where:
Base-Base interactions energy: -231.598
where: short stacking energy: -87.946
Base-Backbone interact. energy: -1.110
local terms energy: -94.842560
where:
bonds (distance) C4'-P energy: -22.927
bonds (distance) P-C4' energy: -23.437
flat angles C4'-P-C4' energy: -22.366
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -15.814
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: 4
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -242.172276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.172276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.172276 (E_RNA)
where:
Base-Base interactions energy: -134.366
where: short stacking energy: -79.802
Base-Backbone interact. energy: -0.583
local terms energy: -107.223384
where:
bonds (distance) C4'-P energy: -27.385
bonds (distance) P-C4' energy: -23.889
flat angles C4'-P-C4' energy: -23.321
flat angles P-C4'-P energy: -23.137
tors. eta vs tors. theta energy: -9.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -577.152236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.152236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.152236 (E_RNA)
where:
Base-Base interactions energy: -403.751
where: short stacking energy: -191.571
Base-Backbone interact. energy: -1.611
local terms energy: -171.790940
where:
bonds (distance) C4'-P energy: -32.214
bonds (distance) P-C4' energy: -31.345
flat angles C4'-P-C4' energy: -37.883
flat angles P-C4'-P energy: -23.725
tors. eta vs tors. theta energy: -46.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -568.201374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.201374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.201374 (E_RNA)
where:
Base-Base interactions energy: -396.906
where: short stacking energy: -160.856
Base-Backbone interact. energy: -0.199
local terms energy: -171.095998
where:
bonds (distance) C4'-P energy: -34.930
bonds (distance) P-C4' energy: -30.731
flat angles C4'-P-C4' energy: -42.250
flat angles P-C4'-P energy: -18.143
tors. eta vs tors. theta energy: -45.042
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: 8
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -554.253921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.253921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.253921 (E_RNA)
where:
Base-Base interactions energy: -382.216
where: short stacking energy: -161.681
Base-Backbone interact. energy: -2.261
local terms energy: -169.777149
where:
bonds (distance) C4'-P energy: -28.657
bonds (distance) P-C4' energy: -29.816
flat angles C4'-P-C4' energy: -34.149
flat angles P-C4'-P energy: -31.078
tors. eta vs tors. theta energy: -46.078
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: 5
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -538.931599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.931599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.931599 (E_RNA)
where:
Base-Base interactions energy: -363.401
where: short stacking energy: -169.601
Base-Backbone interact. energy: -0.089
local terms energy: -175.442009
where:
bonds (distance) C4'-P energy: -33.886
bonds (distance) P-C4' energy: -34.977
flat angles C4'-P-C4' energy: -30.640
flat angles P-C4'-P energy: -28.058
tors. eta vs tors. theta energy: -47.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -497.317332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.317332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.317332 (E_RNA)
where:
Base-Base interactions energy: -347.578
where: short stacking energy: -145.668
Base-Backbone interact. energy: -0.231
local terms energy: -149.508377
where:
bonds (distance) C4'-P energy: -30.860
bonds (distance) P-C4' energy: -30.730
flat angles C4'-P-C4' energy: -29.687
flat angles P-C4'-P energy: -22.520
tors. eta vs tors. theta energy: -35.712
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: 9
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -487.434279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.434279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.434279 (E_RNA)
where:
Base-Base interactions energy: -354.868
where: short stacking energy: -147.919
Base-Backbone interact. energy: 0.969
local terms energy: -133.535847
where:
bonds (distance) C4'-P energy: -26.580
bonds (distance) P-C4' energy: -28.924
flat angles C4'-P-C4' energy: -25.499
flat angles P-C4'-P energy: -16.404
tors. eta vs tors. theta energy: -36.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -447.713836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.713836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.713836 (E_RNA)
where:
Base-Base interactions energy: -313.741
where: short stacking energy: -144.518
Base-Backbone interact. energy: 1.355
local terms energy: -135.327525
where:
bonds (distance) C4'-P energy: -21.892
bonds (distance) P-C4' energy: -31.933
flat angles C4'-P-C4' energy: -31.568
flat angles P-C4'-P energy: -16.337
tors. eta vs tors. theta energy: -33.597
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: 8, replica: 10
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -397.078819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.078819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.078819 (E_RNA)
where:
Base-Base interactions energy: -255.525
where: short stacking energy: -122.474
Base-Backbone interact. energy: 1.285
local terms energy: -142.838285
where:
bonds (distance) C4'-P energy: -27.647
bonds (distance) P-C4' energy: -28.784
flat angles C4'-P-C4' energy: -35.331
flat angles P-C4'-P energy: -21.157
tors. eta vs tors. theta energy: -29.919
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: 3
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -377.828501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.828501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.828501 (E_RNA)
where:
Base-Base interactions energy: -258.639
where: short stacking energy: -105.577
Base-Backbone interact. energy: 0.596
local terms energy: -119.785420
where:
bonds (distance) C4'-P energy: -24.142
bonds (distance) P-C4' energy: -30.084
flat angles C4'-P-C4' energy: -27.984
flat angles P-C4'-P energy: -22.305
tors. eta vs tors. theta energy: -15.271
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: 4
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -310.768951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.768951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.768951 (E_RNA)
where:
Base-Base interactions energy: -220.886
where: short stacking energy: -102.263
Base-Backbone interact. energy: -2.671
local terms energy: -87.211877
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -24.703
flat angles C4'-P-C4' energy: -18.701
flat angles P-C4'-P energy: -19.126
tors. eta vs tors. theta energy: -8.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -576.967180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.967180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.967180 (E_RNA)
where:
Base-Base interactions energy: -407.367
where: short stacking energy: -165.487
Base-Backbone interact. energy: -0.522
local terms energy: -169.077973
where:
bonds (distance) C4'-P energy: -31.199
bonds (distance) P-C4' energy: -33.387
flat angles C4'-P-C4' energy: -34.948
flat angles P-C4'-P energy: -23.871
tors. eta vs tors. theta energy: -45.674
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: 2
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -563.888698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.888698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.888698 (E_RNA)
where:
Base-Base interactions energy: -404.759
where: short stacking energy: -172.842
Base-Backbone interact. energy: -0.224
local terms energy: -158.906519
where:
bonds (distance) C4'-P energy: -30.252
bonds (distance) P-C4' energy: -30.602
flat angles C4'-P-C4' energy: -28.737
flat angles P-C4'-P energy: -23.120
tors. eta vs tors. theta energy: -46.195
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: 3, replica: 5
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -539.305112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.305112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.305112 (E_RNA)
where:
Base-Base interactions energy: -374.248
where: short stacking energy: -160.137
Base-Backbone interact. energy: -0.871
local terms energy: -164.186301
where:
bonds (distance) C4'-P energy: -37.093
bonds (distance) P-C4' energy: -26.225
flat angles C4'-P-C4' energy: -31.804
flat angles P-C4'-P energy: -24.406
tors. eta vs tors. theta energy: -44.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -564.291097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.291097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.291097 (E_RNA)
where:
Base-Base interactions energy: -388.306
where: short stacking energy: -181.164
Base-Backbone interact. energy: -0.402
local terms energy: -175.583179
where:
bonds (distance) C4'-P energy: -31.410
bonds (distance) P-C4' energy: -29.253
flat angles C4'-P-C4' energy: -36.764
flat angles P-C4'-P energy: -24.971
tors. eta vs tors. theta energy: -53.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -507.684704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.684704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.684704 (E_RNA)
where:
Base-Base interactions energy: -352.940
where: short stacking energy: -140.402
Base-Backbone interact. energy: -0.802
local terms energy: -153.942843
where:
bonds (distance) C4'-P energy: -27.602
bonds (distance) P-C4' energy: -32.850
flat angles C4'-P-C4' energy: -31.423
flat angles P-C4'-P energy: -23.709
tors. eta vs tors. theta energy: -38.358
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: 9
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -493.751780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.751780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.751780 (E_RNA)
where:
Base-Base interactions energy: -347.602
where: short stacking energy: -146.812
Base-Backbone interact. energy: -1.892
local terms energy: -144.258228
where:
bonds (distance) C4'-P energy: -17.956
bonds (distance) P-C4' energy: -28.351
flat angles C4'-P-C4' energy: -33.519
flat angles P-C4'-P energy: -27.209
tors. eta vs tors. theta energy: -37.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -453.518295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.518295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.518295 (E_RNA)
where:
Base-Base interactions energy: -311.678
where: short stacking energy: -145.251
Base-Backbone interact. energy: -0.420
local terms energy: -141.419665
where:
bonds (distance) C4'-P energy: -21.426
bonds (distance) P-C4' energy: -26.745
flat angles C4'-P-C4' energy: -31.033
flat angles P-C4'-P energy: -21.521
tors. eta vs tors. theta energy: -40.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -375.709734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.709734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.709734 (E_RNA)
where:
Base-Base interactions energy: -263.707
where: short stacking energy: -112.599
Base-Backbone interact. energy: -0.234
local terms energy: -111.769003
where:
bonds (distance) C4'-P energy: -29.249
bonds (distance) P-C4' energy: -20.374
flat angles C4'-P-C4' energy: -24.523
flat angles P-C4'-P energy: -9.926
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: 9, replica: 3
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -345.397826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.397826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.397826 (E_RNA)
where:
Base-Base interactions energy: -235.101
where: short stacking energy: -101.858
Base-Backbone interact. energy: -0.436
local terms energy: -109.860026
where:
bonds (distance) C4'-P energy: -20.860
bonds (distance) P-C4' energy: -30.661
flat angles C4'-P-C4' energy: -28.952
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -19.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -277.910760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.910760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.910760 (E_RNA)
where:
Base-Base interactions energy: -163.147
where: short stacking energy: -85.920
Base-Backbone interact. energy: 0.191
local terms energy: -114.954475
where:
bonds (distance) C4'-P energy: -24.789
bonds (distance) P-C4' energy: -28.235
flat angles C4'-P-C4' energy: -33.763
flat angles P-C4'-P energy: -15.699
tors. eta vs tors. theta energy: -12.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -578.688272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.688272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.688272 (E_RNA)
where:
Base-Base interactions energy: -400.925
where: short stacking energy: -170.003
Base-Backbone interact. energy: -1.057
local terms energy: -176.705989
where:
bonds (distance) C4'-P energy: -34.704
bonds (distance) P-C4' energy: -35.644
flat angles C4'-P-C4' energy: -35.874
flat angles P-C4'-P energy: -22.561
tors. eta vs tors. theta energy: -47.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -561.944356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.944356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.944356 (E_RNA)
where:
Base-Base interactions energy: -398.864
where: short stacking energy: -171.429
Base-Backbone interact. energy: 1.173
local terms energy: -164.253545
where:
bonds (distance) C4'-P energy: -28.188
bonds (distance) P-C4' energy: -29.312
flat angles C4'-P-C4' energy: -33.849
flat angles P-C4'-P energy: -28.107
tors. eta vs tors. theta energy: -44.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -534.940068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.940068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.940068 (E_RNA)
where:
Base-Base interactions energy: -367.186
where: short stacking energy: -165.821
Base-Backbone interact. energy: -0.178
local terms energy: -167.575973
where:
bonds (distance) C4'-P energy: -28.971
bonds (distance) P-C4' energy: -37.427
flat angles C4'-P-C4' energy: -33.904
flat angles P-C4'-P energy: -23.636
tors. eta vs tors. theta energy: -43.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -561.479954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.479954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.479954 (E_RNA)
where:
Base-Base interactions energy: -397.128
where: short stacking energy: -172.154
Base-Backbone interact. energy: 1.344
local terms energy: -165.695984
where:
bonds (distance) C4'-P energy: -27.972
bonds (distance) P-C4' energy: -31.534
flat angles C4'-P-C4' energy: -31.120
flat angles P-C4'-P energy: -24.728
tors. eta vs tors. theta energy: -50.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -516.224058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.224058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.224058 (E_RNA)
where:
Base-Base interactions energy: -366.637
where: short stacking energy: -156.024
Base-Backbone interact. energy: -0.801
local terms energy: -148.786138
where:
bonds (distance) C4'-P energy: -29.103
bonds (distance) P-C4' energy: -30.704
flat angles C4'-P-C4' energy: -33.740
flat angles P-C4'-P energy: -13.771
tors. eta vs tors. theta energy: -41.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -484.998531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.998531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.998531 (E_RNA)
where:
Base-Base interactions energy: -334.348
where: short stacking energy: -138.724
Base-Backbone interact. energy: -0.904
local terms energy: -149.747299
where:
bonds (distance) C4'-P energy: -34.964
bonds (distance) P-C4' energy: -25.274
flat angles C4'-P-C4' energy: -38.601
flat angles P-C4'-P energy: -17.670
tors. eta vs tors. theta energy: -33.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -465.690928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.690928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.690928 (E_RNA)
where:
Base-Base interactions energy: -312.181
where: short stacking energy: -142.526
Base-Backbone interact. energy: -0.120
local terms energy: -153.389028
where:
bonds (distance) C4'-P energy: -32.184
bonds (distance) P-C4' energy: -31.666
flat angles C4'-P-C4' energy: -27.792
flat angles P-C4'-P energy: -23.711
tors. eta vs tors. theta energy: -38.035
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: 3
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -364.274406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.274406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.274406 (E_RNA)
where:
Base-Base interactions energy: -236.628
where: short stacking energy: -107.982
Base-Backbone interact. energy: -0.680
local terms energy: -126.966612
where:
bonds (distance) C4'-P energy: -33.831
bonds (distance) P-C4' energy: -22.962
flat angles C4'-P-C4' energy: -33.271
flat angles P-C4'-P energy: -17.707
tors. eta vs tors. theta energy: -19.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -362.443189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.443189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.443189 (E_RNA)
where:
Base-Base interactions energy: -245.808
where: short stacking energy: -119.223
Base-Backbone interact. energy: -0.154
local terms energy: -116.481898
where:
bonds (distance) C4'-P energy: -22.835
bonds (distance) P-C4' energy: -26.696
flat angles C4'-P-C4' energy: -34.689
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -20.747
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: 4
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -306.740598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.740598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.740598 (E_RNA)
where:
Base-Base interactions energy: -188.753
where: short stacking energy: -88.984
Base-Backbone interact. energy: 2.895
local terms energy: -120.882323
where:
bonds (distance) C4'-P energy: -30.374
bonds (distance) P-C4' energy: -34.240
flat angles C4'-P-C4' energy: -22.760
flat angles P-C4'-P energy: -18.308
tors. eta vs tors. theta energy: -15.200
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: 1, replica: 2
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -577.945653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.945653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.945653 (E_RNA)
where:
Base-Base interactions energy: -395.098
where: short stacking energy: -181.947
Base-Backbone interact. energy: -0.131
local terms energy: -182.715956
where:
bonds (distance) C4'-P energy: -36.085
bonds (distance) P-C4' energy: -29.432
flat angles C4'-P-C4' energy: -39.086
flat angles P-C4'-P energy: -25.341
tors. eta vs tors. theta energy: -52.773
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: 60
Temperature: 0.950000
Total energy: -575.482766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.482766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.482766 (E_RNA)
where:
Base-Base interactions energy: -404.083
where: short stacking energy: -166.233
Base-Backbone interact. energy: -0.303
local terms energy: -171.096902
where:
bonds (distance) C4'-P energy: -32.424
bonds (distance) P-C4' energy: -27.350
flat angles C4'-P-C4' energy: -36.070
flat angles P-C4'-P energy: -26.689
tors. eta vs tors. theta energy: -48.564
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: 3, replica: 8
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -555.558492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.558492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.558492 (E_RNA)
where:
Base-Base interactions energy: -390.274
where: short stacking energy: -174.981
Base-Backbone interact. energy: 0.704
local terms energy: -165.987916
where:
bonds (distance) C4'-P energy: -30.118
bonds (distance) P-C4' energy: -27.984
flat angles C4'-P-C4' energy: -36.162
flat angles P-C4'-P energy: -23.834
tors. eta vs tors. theta energy: -47.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -527.892974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.892974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.892974 (E_RNA)
where:
Base-Base interactions energy: -366.987
where: short stacking energy: -160.932
Base-Backbone interact. energy: -0.011
local terms energy: -160.894652
where:
bonds (distance) C4'-P energy: -29.584
bonds (distance) P-C4' energy: -32.983
flat angles C4'-P-C4' energy: -30.557
flat angles P-C4'-P energy: -26.032
tors. eta vs tors. theta energy: -41.739
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: 6
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -523.220476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.220476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.220476 (E_RNA)
where:
Base-Base interactions energy: -365.376
where: short stacking energy: -158.651
Base-Backbone interact. energy: -1.082
local terms energy: -156.762041
where:
bonds (distance) C4'-P energy: -33.888
bonds (distance) P-C4' energy: -32.390
flat angles C4'-P-C4' energy: -32.260
flat angles P-C4'-P energy: -17.979
tors. eta vs tors. theta energy: -40.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -497.309146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.309146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.309146 (E_RNA)
where:
Base-Base interactions energy: -347.684
where: short stacking energy: -142.041
Base-Backbone interact. energy: -0.976
local terms energy: -148.648949
where:
bonds (distance) C4'-P energy: -25.020
bonds (distance) P-C4' energy: -32.880
flat angles C4'-P-C4' energy: -32.708
flat angles P-C4'-P energy: -19.722
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: 7, replica: 1
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -458.863557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.863557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.863557 (E_RNA)
where:
Base-Base interactions energy: -315.639
where: short stacking energy: -136.640
Base-Backbone interact. energy: -0.209
local terms energy: -143.015452
where:
bonds (distance) C4'-P energy: -30.166
bonds (distance) P-C4' energy: -33.130
flat angles C4'-P-C4' energy: -32.207
flat angles P-C4'-P energy: -14.702
tors. eta vs tors. theta energy: -32.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -346.320756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.320756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.320756 (E_RNA)
where:
Base-Base interactions energy: -226.656
where: short stacking energy: -97.449
Base-Backbone interact. energy: 0.200
local terms energy: -119.865092
where:
bonds (distance) C4'-P energy: -27.958
bonds (distance) P-C4' energy: -23.825
flat angles C4'-P-C4' energy: -30.245
flat angles P-C4'-P energy: -18.769
tors. eta vs tors. theta energy: -19.067
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: 10
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -335.603778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.603778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.603778 (E_RNA)
where:
Base-Base interactions energy: -226.873
where: short stacking energy: -106.836
Base-Backbone interact. energy: 0.374
local terms energy: -109.104121
where:
bonds (distance) C4'-P energy: -22.828
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -27.180
flat angles P-C4'-P energy: -14.635
tors. eta vs tors. theta energy: -25.992
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: 4
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -302.125035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.125035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.125035 (E_RNA)
where:
Base-Base interactions energy: -181.511
where: short stacking energy: -94.036
Base-Backbone interact. energy: -0.111
local terms energy: -120.503500
where:
bonds (distance) C4'-P energy: -28.471
bonds (distance) P-C4' energy: -29.711
flat angles C4'-P-C4' energy: -24.590
flat angles P-C4'-P energy: -17.051
tors. eta vs tors. theta energy: -20.681
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: 2
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -575.709286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.709286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.709286 (E_RNA)
where:
Base-Base interactions energy: -403.454
where: short stacking energy: -177.792
Base-Backbone interact. energy: -0.629
local terms energy: -171.626329
where:
bonds (distance) C4'-P energy: -31.998
bonds (distance) P-C4' energy: -30.666
flat angles C4'-P-C4' energy: -34.963
flat angles P-C4'-P energy: -24.744
tors. eta vs tors. theta energy: -49.255
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: 8
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -580.759053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.759053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.759053 (E_RNA)
where:
Base-Base interactions energy: -407.707
where: short stacking energy: -183.799
Base-Backbone interact. energy: -0.806
local terms energy: -172.246162
where:
bonds (distance) C4'-P energy: -30.048
bonds (distance) P-C4' energy: -36.234
flat angles C4'-P-C4' energy: -28.922
flat angles P-C4'-P energy: -28.176
tors. eta vs tors. theta energy: -48.866
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: 7
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -578.175982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.175982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.175982 (E_RNA)
where:
Base-Base interactions energy: -411.742
where: short stacking energy: -159.467
Base-Backbone interact. energy: -0.844
local terms energy: -165.589758
where:
bonds (distance) C4'-P energy: -27.075
bonds (distance) P-C4' energy: -31.601
flat angles C4'-P-C4' energy: -39.572
flat angles P-C4'-P energy: -23.958
tors. eta vs tors. theta energy: -43.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -541.770802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.770802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.770802 (E_RNA)
where:
Base-Base interactions energy: -381.428
where: short stacking energy: -152.128
Base-Backbone interact. energy: -0.998
local terms energy: -159.345231
where:
bonds (distance) C4'-P energy: -28.788
bonds (distance) P-C4' energy: -30.490
flat angles C4'-P-C4' energy: -32.536
flat angles P-C4'-P energy: -22.512
tors. eta vs tors. theta energy: -45.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -503.736719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.736719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.736719 (E_RNA)
where:
Base-Base interactions energy: -339.862
where: short stacking energy: -153.037
Base-Backbone interact. energy: -0.064
local terms energy: -163.811287
where:
bonds (distance) C4'-P energy: -32.573
bonds (distance) P-C4' energy: -28.368
flat angles C4'-P-C4' energy: -33.654
flat angles P-C4'-P energy: -30.970
tors. eta vs tors. theta energy: -38.246
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: 6, replica: 1
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -458.120025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.120025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.120025 (E_RNA)
where:
Base-Base interactions energy: -318.380
where: short stacking energy: -155.583
Base-Backbone interact. energy: -0.329
local terms energy: -139.411767
where:
bonds (distance) C4'-P energy: -23.529
bonds (distance) P-C4' energy: -26.408
flat angles C4'-P-C4' energy: -34.272
flat angles P-C4'-P energy: -15.356
tors. eta vs tors. theta energy: -39.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -480.649237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.649237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.649237 (E_RNA)
where:
Base-Base interactions energy: -340.126
where: short stacking energy: -135.181
Base-Backbone interact. energy: -0.859
local terms energy: -139.663616
where:
bonds (distance) C4'-P energy: -25.001
bonds (distance) P-C4' energy: -33.181
flat angles C4'-P-C4' energy: -31.717
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: -36.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -406.607364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.607364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.607364 (E_RNA)
where:
Base-Base interactions energy: -265.418
where: short stacking energy: -119.427
Base-Backbone interact. energy: -0.614
local terms energy: -140.575474
where:
bonds (distance) C4'-P energy: -27.978
bonds (distance) P-C4' energy: -33.953
flat angles C4'-P-C4' energy: -30.083
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -35.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -366.396947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.396947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.396947 (E_RNA)
where:
Base-Base interactions energy: -238.537
where: short stacking energy: -95.061
Base-Backbone interact. energy: 0.811
local terms energy: -128.671264
where:
bonds (distance) C4'-P energy: -24.079
bonds (distance) P-C4' energy: -34.442
flat angles C4'-P-C4' energy: -31.801
flat angles P-C4'-P energy: -15.101
tors. eta vs tors. theta energy: -23.249
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: 4
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -320.536271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.536271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.536271 (E_RNA)
where:
Base-Base interactions energy: -211.608
where: short stacking energy: -103.492
Base-Backbone interact. energy: -0.246
local terms energy: -108.682943
where:
bonds (distance) C4'-P energy: -24.326
bonds (distance) P-C4' energy: -24.047
flat angles C4'-P-C4' energy: -27.654
flat angles P-C4'-P energy: -16.069
tors. eta vs tors. theta energy: -16.586
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: 2
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -573.918058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.918058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.918058 (E_RNA)
where:
Base-Base interactions energy: -405.027
where: short stacking energy: -177.000
Base-Backbone interact. energy: -0.295
local terms energy: -168.596300
where:
bonds (distance) C4'-P energy: -29.096
bonds (distance) P-C4' energy: -33.665
flat angles C4'-P-C4' energy: -31.859
flat angles P-C4'-P energy: -24.422
tors. eta vs tors. theta energy: -49.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -562.521203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.521203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.521203 (E_RNA)
where:
Base-Base interactions energy: -401.874
where: short stacking energy: -175.362
Base-Backbone interact. energy: -0.643
local terms energy: -160.004498
where:
bonds (distance) C4'-P energy: -31.184
bonds (distance) P-C4' energy: -31.461
flat angles C4'-P-C4' energy: -32.386
flat angles P-C4'-P energy: -16.943
tors. eta vs tors. theta energy: -48.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -576.945650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.945650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.945650 (E_RNA)
where:
Base-Base interactions energy: -400.174
where: short stacking energy: -161.354
Base-Backbone interact. energy: -0.497
local terms energy: -176.274449
where:
bonds (distance) C4'-P energy: -37.525
bonds (distance) P-C4' energy: -34.471
flat angles C4'-P-C4' energy: -36.997
flat angles P-C4'-P energy: -24.014
tors. eta vs tors. theta energy: -43.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -533.164416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.164416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.164416 (E_RNA)
where:
Base-Base interactions energy: -371.949
where: short stacking energy: -146.714
Base-Backbone interact. energy: -0.433
local terms energy: -160.781842
where:
bonds (distance) C4'-P energy: -23.877
bonds (distance) P-C4' energy: -37.110
flat angles C4'-P-C4' energy: -35.434
flat angles P-C4'-P energy: -21.991
tors. eta vs tors. theta energy: -42.371
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: 5, replica: 5
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -517.201534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.201534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.201534 (E_RNA)
where:
Base-Base interactions energy: -359.345
where: short stacking energy: -159.431
Base-Backbone interact. energy: -0.782
local terms energy: -157.073788
where:
bonds (distance) C4'-P energy: -29.867
bonds (distance) P-C4' energy: -27.285
flat angles C4'-P-C4' energy: -33.840
flat angles P-C4'-P energy: -20.796
tors. eta vs tors. theta energy: -45.285
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: 1
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -438.119501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.119501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.119501 (E_RNA)
where:
Base-Base interactions energy: -307.300
where: short stacking energy: -129.912
Base-Backbone interact. energy: -1.594
local terms energy: -129.225371
where:
bonds (distance) C4'-P energy: -24.919
bonds (distance) P-C4' energy: -27.867
flat angles C4'-P-C4' energy: -23.085
flat angles P-C4'-P energy: -19.393
tors. eta vs tors. theta energy: -33.962
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: 9
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -479.047749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.047749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.047749 (E_RNA)
where:
Base-Base interactions energy: -331.921
where: short stacking energy: -136.395
Base-Backbone interact. energy: -0.254
local terms energy: -146.873492
where:
bonds (distance) C4'-P energy: -28.724
bonds (distance) P-C4' energy: -29.909
flat angles C4'-P-C4' energy: -29.697
flat angles P-C4'-P energy: -20.019
tors. eta vs tors. theta energy: -38.525
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: 3
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -429.327080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.327080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.327080 (E_RNA)
where:
Base-Base interactions energy: -287.571
where: short stacking energy: -135.410
Base-Backbone interact. energy: -0.159
local terms energy: -141.596986
where:
bonds (distance) C4'-P energy: -28.013
bonds (distance) P-C4' energy: -31.816
flat angles C4'-P-C4' energy: -34.756
flat angles P-C4'-P energy: -15.776
tors. eta vs tors. theta energy: -31.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -354.162886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.162886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.162886 (E_RNA)
where:
Base-Base interactions energy: -231.808
where: short stacking energy: -95.238
Base-Backbone interact. energy: 0.095
local terms energy: -122.449638
where:
bonds (distance) C4'-P energy: -25.430
bonds (distance) P-C4' energy: -25.845
flat angles C4'-P-C4' energy: -25.596
flat angles P-C4'-P energy: -24.912
tors. eta vs tors. theta energy: -20.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -293.560923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.560923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.560923 (E_RNA)
where:
Base-Base interactions energy: -177.832
where: short stacking energy: -97.480
Base-Backbone interact. energy: -0.423
local terms energy: -115.305831
where:
bonds (distance) C4'-P energy: -31.853
bonds (distance) P-C4' energy: -25.007
flat angles C4'-P-C4' energy: -22.931
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -22.882
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: 2
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -587.257663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.257663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.257663 (E_RNA)
where:
Base-Base interactions energy: -411.973
where: short stacking energy: -182.717
Base-Backbone interact. energy: -0.300
local terms energy: -174.985270
where:
bonds (distance) C4'-P energy: -29.827
bonds (distance) P-C4' energy: -35.228
flat angles C4'-P-C4' energy: -36.388
flat angles P-C4'-P energy: -25.542
tors. eta vs tors. theta energy: -47.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -584.749175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.749175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.749175 (E_RNA)
where:
Base-Base interactions energy: -410.620
where: short stacking energy: -164.889
Base-Backbone interact. energy: -1.939
local terms energy: -172.190109
where:
bonds (distance) C4'-P energy: -33.460
bonds (distance) P-C4' energy: -35.865
flat angles C4'-P-C4' energy: -34.251
flat angles P-C4'-P energy: -23.865
tors. eta vs tors. theta energy: -44.750
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: 8
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -562.554111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.554111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.554111 (E_RNA)
where:
Base-Base interactions energy: -391.413
where: short stacking energy: -169.930
Base-Backbone interact. energy: -1.348
local terms energy: -169.793303
where:
bonds (distance) C4'-P energy: -30.500
bonds (distance) P-C4' energy: -29.649
flat angles C4'-P-C4' energy: -35.287
flat angles P-C4'-P energy: -23.471
tors. eta vs tors. theta energy: -50.888
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: 6
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -521.402828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.402828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.402828 (E_RNA)
where:
Base-Base interactions energy: -363.448
where: short stacking energy: -164.562
Base-Backbone interact. energy: -0.743
local terms energy: -157.211654
where:
bonds (distance) C4'-P energy: -32.728
bonds (distance) P-C4' energy: -27.056
flat angles C4'-P-C4' energy: -30.093
flat angles P-C4'-P energy: -21.829
tors. eta vs tors. theta energy: -45.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -521.112672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.112672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.112672 (E_RNA)
where:
Base-Base interactions energy: -368.864
where: short stacking energy: -159.713
Base-Backbone interact. energy: -0.207
local terms energy: -152.041325
where:
bonds (distance) C4'-P energy: -31.200
bonds (distance) P-C4' energy: -24.105
flat angles C4'-P-C4' energy: -32.929
flat angles P-C4'-P energy: -19.805
tors. eta vs tors. theta energy: -44.003
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: 9
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -486.111526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.111526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.111526 (E_RNA)
where:
Base-Base interactions energy: -344.262
where: short stacking energy: -140.854
Base-Backbone interact. energy: -0.022
local terms energy: -141.827433
where:
bonds (distance) C4'-P energy: -25.717
bonds (distance) P-C4' energy: -35.168
flat angles C4'-P-C4' energy: -30.859
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -40.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -443.074601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.074601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.074601 (E_RNA)
where:
Base-Base interactions energy: -291.336
where: short stacking energy: -140.703
Base-Backbone interact. energy: 1.192
local terms energy: -152.931051
where:
bonds (distance) C4'-P energy: -31.147
bonds (distance) P-C4' energy: -29.445
flat angles C4'-P-C4' energy: -30.758
flat angles P-C4'-P energy: -25.270
tors. eta vs tors. theta energy: -36.311
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: 3
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -427.925553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.925553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.925553 (E_RNA)
where:
Base-Base interactions energy: -303.368
where: short stacking energy: -115.666
Base-Backbone interact. energy: -0.286
local terms energy: -124.271614
where:
bonds (distance) C4'-P energy: -24.263
bonds (distance) P-C4' energy: -21.702
flat angles C4'-P-C4' energy: -30.608
flat angles P-C4'-P energy: -17.848
tors. eta vs tors. theta energy: -29.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -354.596786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.596786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.596786 (E_RNA)
where:
Base-Base interactions energy: -239.791
where: short stacking energy: -123.973
Base-Backbone interact. energy: -1.111
local terms energy: -113.694544
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -20.056
flat angles C4'-P-C4' energy: -26.471
flat angles P-C4'-P energy: -23.033
tors. eta vs tors. theta energy: -28.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -288.302028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.302028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.302028 (E_RNA)
where:
Base-Base interactions energy: -178.925
where: short stacking energy: -93.303
Base-Backbone interact. energy: -0.399
local terms energy: -108.978080
where:
bonds (distance) C4'-P energy: -32.281
bonds (distance) P-C4' energy: -17.547
flat angles C4'-P-C4' energy: -26.134
flat angles P-C4'-P energy: -19.987
tors. eta vs tors. theta energy: -13.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -570.728010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.728010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.728010 (E_RNA)
where:
Base-Base interactions energy: -396.173
where: short stacking energy: -182.951
Base-Backbone interact. energy: -0.251
local terms energy: -174.303577
where:
bonds (distance) C4'-P energy: -33.597
bonds (distance) P-C4' energy: -36.108
flat angles C4'-P-C4' energy: -36.836
flat angles P-C4'-P energy: -20.565
tors. eta vs tors. theta energy: -47.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -576.626583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.626583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.626583 (E_RNA)
where:
Base-Base interactions energy: -410.164
where: short stacking energy: -164.165
Base-Backbone interact. energy: -0.408
local terms energy: -166.054541
where:
bonds (distance) C4'-P energy: -28.714
bonds (distance) P-C4' energy: -31.097
flat angles C4'-P-C4' energy: -32.657
flat angles P-C4'-P energy: -28.339
tors. eta vs tors. theta energy: -45.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -558.247735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.247735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.247735 (E_RNA)
where:
Base-Base interactions energy: -390.555
where: short stacking energy: -175.480
Base-Backbone interact. energy: -0.435
local terms energy: -167.257360
where:
bonds (distance) C4'-P energy: -31.288
bonds (distance) P-C4' energy: -35.204
flat angles C4'-P-C4' energy: -34.513
flat angles P-C4'-P energy: -23.003
tors. eta vs tors. theta energy: -43.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -542.367927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.367927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.367927 (E_RNA)
where:
Base-Base interactions energy: -376.757
where: short stacking energy: -159.382
Base-Backbone interact. energy: -0.030
local terms energy: -165.580524
where:
bonds (distance) C4'-P energy: -31.232
bonds (distance) P-C4' energy: -35.457
flat angles C4'-P-C4' energy: -30.509
flat angles P-C4'-P energy: -24.495
tors. eta vs tors. theta energy: -43.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -515.967162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.967162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.967162 (E_RNA)
where:
Base-Base interactions energy: -361.830
where: short stacking energy: -163.344
Base-Backbone interact. energy: -1.125
local terms energy: -153.011970
where:
bonds (distance) C4'-P energy: -30.993
bonds (distance) P-C4' energy: -24.123
flat angles C4'-P-C4' energy: -35.232
flat angles P-C4'-P energy: -23.139
tors. eta vs tors. theta energy: -39.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -495.611848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.611848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.611848 (E_RNA)
where:
Base-Base interactions energy: -360.256
where: short stacking energy: -154.506
Base-Backbone interact. energy: -0.514
local terms energy: -134.841884
where:
bonds (distance) C4'-P energy: -21.433
bonds (distance) P-C4' energy: -18.229
flat angles C4'-P-C4' energy: -35.488
flat angles P-C4'-P energy: -22.642
tors. eta vs tors. theta energy: -37.050
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: 3
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -440.449315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.449315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.449315 (E_RNA)
where:
Base-Base interactions energy: -299.817
where: short stacking energy: -126.757
Base-Backbone interact. energy: -0.442
local terms energy: -140.190206
where:
bonds (distance) C4'-P energy: -21.620
bonds (distance) P-C4' energy: -28.596
flat angles C4'-P-C4' energy: -34.617
flat angles P-C4'-P energy: -22.757
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: 8, replica: 1
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -457.910535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.910535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.910535 (E_RNA)
where:
Base-Base interactions energy: -312.594
where: short stacking energy: -135.212
Base-Backbone interact. energy: -1.002
local terms energy: -144.314528
where:
bonds (distance) C4'-P energy: -24.649
bonds (distance) P-C4' energy: -30.678
flat angles C4'-P-C4' energy: -32.010
flat angles P-C4'-P energy: -17.230
tors. eta vs tors. theta energy: -39.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -345.991749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.991749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.991749 (E_RNA)
where:
Base-Base interactions energy: -233.654
where: short stacking energy: -112.076
Base-Backbone interact. energy: 1.048
local terms energy: -113.385600
where:
bonds (distance) C4'-P energy: -23.109
bonds (distance) P-C4' energy: -23.654
flat angles C4'-P-C4' energy: -25.299
flat angles P-C4'-P energy: -16.092
tors. eta vs tors. theta energy: -25.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -301.051499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.051499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.051499 (E_RNA)
where:
Base-Base interactions energy: -187.171
where: short stacking energy: -99.612
Base-Backbone interact. energy: 1.945
local terms energy: -115.825485
where:
bonds (distance) C4'-P energy: -30.421
bonds (distance) P-C4' energy: -22.269
flat angles C4'-P-C4' energy: -29.769
flat angles P-C4'-P energy: -14.840
tors. eta vs tors. theta energy: -18.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -579.083461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.083461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.083461 (E_RNA)
where:
Base-Base interactions energy: -401.287
where: short stacking energy: -174.870
Base-Backbone interact. energy: 1.283
local terms energy: -179.079011
where:
bonds (distance) C4'-P energy: -33.821
bonds (distance) P-C4' energy: -34.888
flat angles C4'-P-C4' energy: -33.594
flat angles P-C4'-P energy: -27.581
tors. eta vs tors. theta energy: -49.194
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: 2, replica: 7
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -585.925321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.925321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.925321 (E_RNA)
where:
Base-Base interactions energy: -423.088
where: short stacking energy: -164.960
Base-Backbone interact. energy: -0.360
local terms energy: -162.478132
where:
bonds (distance) C4'-P energy: -35.320
bonds (distance) P-C4' energy: -31.222
flat angles C4'-P-C4' energy: -30.996
flat angles P-C4'-P energy: -21.852
tors. eta vs tors. theta energy: -43.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -556.475698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.475698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.475698 (E_RNA)
where:
Base-Base interactions energy: -395.304
where: short stacking energy: -175.622
Base-Backbone interact. energy: -0.241
local terms energy: -160.931095
where:
bonds (distance) C4'-P energy: -27.179
bonds (distance) P-C4' energy: -27.465
flat angles C4'-P-C4' energy: -36.447
flat angles P-C4'-P energy: -25.026
tors. eta vs tors. theta energy: -44.814
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: 4, replica: 6
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -547.433687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.433687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.433687 (E_RNA)
where:
Base-Base interactions energy: -392.743
where: short stacking energy: -166.479
Base-Backbone interact. energy: -0.895
local terms energy: -153.795638
where:
bonds (distance) C4'-P energy: -29.700
bonds (distance) P-C4' energy: -24.242
flat angles C4'-P-C4' energy: -37.112
flat angles P-C4'-P energy: -21.146
tors. eta vs tors. theta energy: -41.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -530.052250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.052250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.052250 (E_RNA)
where:
Base-Base interactions energy: -376.486
where: short stacking energy: -162.063
Base-Backbone interact. energy: -0.857
local terms energy: -152.709362
where:
bonds (distance) C4'-P energy: -25.727
bonds (distance) P-C4' energy: -27.763
flat angles C4'-P-C4' energy: -27.460
flat angles P-C4'-P energy: -21.067
tors. eta vs tors. theta energy: -50.692
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: 3
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -468.015130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.015130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.015130 (E_RNA)
where:
Base-Base interactions energy: -332.845
where: short stacking energy: -134.267
Base-Backbone interact. energy: 0.312
local terms energy: -135.482112
where:
bonds (distance) C4'-P energy: -30.261
bonds (distance) P-C4' energy: -27.425
flat angles C4'-P-C4' energy: -27.395
flat angles P-C4'-P energy: -14.760
tors. eta vs tors. theta energy: -35.641
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: 7, replica: 9
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -474.199956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.199956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.199956 (E_RNA)
where:
Base-Base interactions energy: -338.940
where: short stacking energy: -137.887
Base-Backbone interact. energy: -0.452
local terms energy: -134.807467
where:
bonds (distance) C4'-P energy: -24.312
bonds (distance) P-C4' energy: -27.888
flat angles C4'-P-C4' energy: -31.919
flat angles P-C4'-P energy: -17.966
tors. eta vs tors. theta energy: -32.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -452.231207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.231207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.231207 (E_RNA)
where:
Base-Base interactions energy: -313.482
where: short stacking energy: -133.229
Base-Backbone interact. energy: -1.051
local terms energy: -137.698580
where:
bonds (distance) C4'-P energy: -25.633
bonds (distance) P-C4' energy: -27.481
flat angles C4'-P-C4' energy: -30.524
flat angles P-C4'-P energy: -19.104
tors. eta vs tors. theta energy: -34.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -354.469409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.469409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.469409 (E_RNA)
where:
Base-Base interactions energy: -241.135
where: short stacking energy: -106.461
Base-Backbone interact. energy: -1.018
local terms energy: -112.316672
where:
bonds (distance) C4'-P energy: -25.859
bonds (distance) P-C4' energy: -28.687
flat angles C4'-P-C4' energy: -25.507
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -18.606
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: 4
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -292.664626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.664626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.664626 (E_RNA)
where:
Base-Base interactions energy: -178.459
where: short stacking energy: -87.852
Base-Backbone interact. energy: -0.516
local terms energy: -113.689056
where:
bonds (distance) C4'-P energy: -23.737
bonds (distance) P-C4' energy: -29.555
flat angles C4'-P-C4' energy: -28.837
flat angles P-C4'-P energy: -20.193
tors. eta vs tors. theta energy: -11.366
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: 1, replica: 2
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -570.812897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.812897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.812897 (E_RNA)
where:
Base-Base interactions energy: -388.738
where: short stacking energy: -175.672
Base-Backbone interact. energy: -0.431
local terms energy: -181.643441
where:
bonds (distance) C4'-P energy: -35.063
bonds (distance) P-C4' energy: -33.272
flat angles C4'-P-C4' energy: -36.593
flat angles P-C4'-P energy: -26.380
tors. eta vs tors. theta energy: -50.337
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: 7
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -585.792043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.792043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.792043 (E_RNA)
where:
Base-Base interactions energy: -404.182
where: short stacking energy: -170.722
Base-Backbone interact. energy: -0.156
local terms energy: -181.453717
where:
bonds (distance) C4'-P energy: -33.704
bonds (distance) P-C4' energy: -35.067
flat angles C4'-P-C4' energy: -39.436
flat angles P-C4'-P energy: -26.360
tors. eta vs tors. theta energy: -46.887
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: 3, replica: 6
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -551.796814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.796814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.796814 (E_RNA)
where:
Base-Base interactions energy: -403.730
where: short stacking energy: -156.439
Base-Backbone interact. energy: 0.445
local terms energy: -148.512106
where:
bonds (distance) C4'-P energy: -29.461
bonds (distance) P-C4' energy: -20.656
flat angles C4'-P-C4' energy: -34.079
flat angles P-C4'-P energy: -22.459
tors. eta vs tors. theta energy: -41.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -545.471744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.471744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.471744 (E_RNA)
where:
Base-Base interactions energy: -387.567
where: short stacking energy: -166.551
Base-Backbone interact. energy: -1.024
local terms energy: -156.881297
where:
bonds (distance) C4'-P energy: -29.460
bonds (distance) P-C4' energy: -26.819
flat angles C4'-P-C4' energy: -31.339
flat angles P-C4'-P energy: -20.057
tors. eta vs tors. theta energy: -49.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -496.556647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.556647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.556647 (E_RNA)
where:
Base-Base interactions energy: -340.193
where: short stacking energy: -150.199
Base-Backbone interact. energy: -0.478
local terms energy: -155.886412
where:
bonds (distance) C4'-P energy: -33.789
bonds (distance) P-C4' energy: -30.866
flat angles C4'-P-C4' energy: -32.269
flat angles P-C4'-P energy: -23.679
tors. eta vs tors. theta energy: -35.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -512.276012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.276012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.276012 (E_RNA)
where:
Base-Base interactions energy: -362.452
where: short stacking energy: -165.646
Base-Backbone interact. energy: -0.345
local terms energy: -149.479167
where:
bonds (distance) C4'-P energy: -29.129
bonds (distance) P-C4' energy: -25.924
flat angles C4'-P-C4' energy: -37.474
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -46.438
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: 1
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -451.834290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.834290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.834290 (E_RNA)
where:
Base-Base interactions energy: -309.867
where: short stacking energy: -140.761
Base-Backbone interact. energy: -0.345
local terms energy: -141.622180
where:
bonds (distance) C4'-P energy: -31.113
bonds (distance) P-C4' energy: -23.532
flat angles C4'-P-C4' energy: -32.988
flat angles P-C4'-P energy: -20.512
tors. eta vs tors. theta energy: -33.477
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: 9
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -446.438267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.438267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.438267 (E_RNA)
where:
Base-Base interactions energy: -308.696
where: short stacking energy: -117.792
Base-Backbone interact. energy: 0.270
local terms energy: -138.012468
where:
bonds (distance) C4'-P energy: -28.516
bonds (distance) P-C4' energy: -28.765
flat angles C4'-P-C4' energy: -33.490
flat angles P-C4'-P energy: -16.666
tors. eta vs tors. theta energy: -30.576
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: 66
Temperature: 1.300000
Total energy: -372.844834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.844834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.844834 (E_RNA)
where:
Base-Base interactions energy: -234.541
where: short stacking energy: -108.890
Base-Backbone interact. energy: -0.725
local terms energy: -137.578626
where:
bonds (distance) C4'-P energy: -25.620
bonds (distance) P-C4' energy: -37.885
flat angles C4'-P-C4' energy: -26.558
flat angles P-C4'-P energy: -20.336
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: 10, replica: 4
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -272.409780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.409780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.409780 (E_RNA)
where:
Base-Base interactions energy: -169.710
where: short stacking energy: -79.951
Base-Backbone interact. energy: -1.349
local terms energy: -101.350878
where:
bonds (distance) C4'-P energy: -23.764
bonds (distance) P-C4' energy: -28.296
flat angles C4'-P-C4' energy: -26.884
flat angles P-C4'-P energy: -17.327
tors. eta vs tors. theta energy: -5.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -583.450251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.450251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.450251 (E_RNA)
where:
Base-Base interactions energy: -401.638
where: short stacking energy: -181.277
Base-Backbone interact. energy: -0.324
local terms energy: -181.487886
where:
bonds (distance) C4'-P energy: -34.601
bonds (distance) P-C4' energy: -37.116
flat angles C4'-P-C4' energy: -37.992
flat angles P-C4'-P energy: -23.226
tors. eta vs tors. theta energy: -48.553
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: 7
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -559.575923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.575923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.575923 (E_RNA)
where:
Base-Base interactions energy: -397.682
where: short stacking energy: -162.953
Base-Backbone interact. energy: 0.185
local terms energy: -162.079208
where:
bonds (distance) C4'-P energy: -31.662
bonds (distance) P-C4' energy: -27.589
flat angles C4'-P-C4' energy: -30.238
flat angles P-C4'-P energy: -26.593
tors. eta vs tors. theta energy: -45.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -540.289083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.289083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.289083 (E_RNA)
where:
Base-Base interactions energy: -380.202
where: short stacking energy: -158.520
Base-Backbone interact. energy: -0.944
local terms energy: -159.143708
where:
bonds (distance) C4'-P energy: -30.055
bonds (distance) P-C4' energy: -29.206
flat angles C4'-P-C4' energy: -34.463
flat angles P-C4'-P energy: -25.281
tors. eta vs tors. theta energy: -40.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -537.094864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.094864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.094864 (E_RNA)
where:
Base-Base interactions energy: -378.399
where: short stacking energy: -156.841
Base-Backbone interact. energy: -0.607
local terms energy: -158.088398
where:
bonds (distance) C4'-P energy: -32.408
bonds (distance) P-C4' energy: -27.476
flat angles C4'-P-C4' energy: -34.889
flat angles P-C4'-P energy: -22.242
tors. eta vs tors. theta energy: -41.073
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: 5, replica: 3
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -489.746201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.746201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.746201 (E_RNA)
where:
Base-Base interactions energy: -343.609
where: short stacking energy: -153.272
Base-Backbone interact. energy: -0.438
local terms energy: -145.698837
where:
bonds (distance) C4'-P energy: -29.651
bonds (distance) P-C4' energy: -25.855
flat angles C4'-P-C4' energy: -36.264
flat angles P-C4'-P energy: -18.950
tors. eta vs tors. theta energy: -34.978
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: 1
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -472.058270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.058270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.058270 (E_RNA)
where:
Base-Base interactions energy: -320.073
where: short stacking energy: -135.937
Base-Backbone interact. energy: -0.249
local terms energy: -151.736426
where:
bonds (distance) C4'-P energy: -32.008
bonds (distance) P-C4' energy: -25.254
flat angles C4'-P-C4' energy: -32.170
flat angles P-C4'-P energy: -22.970
tors. eta vs tors. theta energy: -39.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -495.976280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.976280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.976280 (E_RNA)
where:
Base-Base interactions energy: -357.931
where: short stacking energy: -153.574
Base-Backbone interact. energy: 0.283
local terms energy: -138.327738
where:
bonds (distance) C4'-P energy: -19.330
bonds (distance) P-C4' energy: -27.667
flat angles C4'-P-C4' energy: -28.313
flat angles P-C4'-P energy: -21.636
tors. eta vs tors. theta energy: -41.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -377.990480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.990480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.990480 (E_RNA)
where:
Base-Base interactions energy: -259.575
where: short stacking energy: -128.312
Base-Backbone interact. energy: -0.043
local terms energy: -118.372116
where:
bonds (distance) C4'-P energy: -28.140
bonds (distance) P-C4' energy: -20.381
flat angles C4'-P-C4' energy: -23.520
flat angles P-C4'-P energy: -13.532
tors. eta vs tors. theta energy: -32.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -400.527627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.527627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.527627 (E_RNA)
where:
Base-Base interactions energy: -276.792
where: short stacking energy: -116.883
Base-Backbone interact. energy: -1.060
local terms energy: -122.675605
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -35.538
flat angles C4'-P-C4' energy: -25.580
flat angles P-C4'-P energy: -16.450
tors. eta vs tors. theta energy: -29.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -287.789273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.789273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.789273 (E_RNA)
where:
Base-Base interactions energy: -174.236
where: short stacking energy: -88.272
Base-Backbone interact. energy: 1.250
local terms energy: -114.803092
where:
bonds (distance) C4'-P energy: -28.599
bonds (distance) P-C4' energy: -33.799
flat angles C4'-P-C4' energy: -21.132
flat angles P-C4'-P energy: -15.596
tors. eta vs tors. theta energy: -15.677
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: 68
Temperature: 0.900000
Total energy: -586.317134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.317134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.317134 (E_RNA)
where:
Base-Base interactions energy: -416.536
where: short stacking energy: -175.927
Base-Backbone interact. energy: 0.097
local terms energy: -169.877997
where:
bonds (distance) C4'-P energy: -30.919
bonds (distance) P-C4' energy: -30.332
flat angles C4'-P-C4' energy: -36.373
flat angles P-C4'-P energy: -25.548
tors. eta vs tors. theta energy: -46.707
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: 2, replica: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -574.196560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.196560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.196560 (E_RNA)
where:
Base-Base interactions energy: -398.032
where: short stacking energy: -175.065
Base-Backbone interact. energy: -0.021
local terms energy: -176.143339
where:
bonds (distance) C4'-P energy: -33.373
bonds (distance) P-C4' energy: -28.448
flat angles C4'-P-C4' energy: -38.802
flat angles P-C4'-P energy: -24.626
tors. eta vs tors. theta energy: -50.894
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: 6
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -554.125949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.125949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.125949 (E_RNA)
where:
Base-Base interactions energy: -390.001
where: short stacking energy: -164.113
Base-Backbone interact. energy: -2.152
local terms energy: -161.972786
where:
bonds (distance) C4'-P energy: -28.686
bonds (distance) P-C4' energy: -33.169
flat angles C4'-P-C4' energy: -29.431
flat angles P-C4'-P energy: -22.598
tors. eta vs tors. theta energy: -48.089
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: 8
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -538.801776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.801776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.801776 (E_RNA)
where:
Base-Base interactions energy: -368.312
where: short stacking energy: -164.491
Base-Backbone interact. energy: -0.727
local terms energy: -169.762383
where:
bonds (distance) C4'-P energy: -29.886
bonds (distance) P-C4' energy: -30.908
flat angles C4'-P-C4' energy: -36.099
flat angles P-C4'-P energy: -22.412
tors. eta vs tors. theta energy: -50.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -475.286431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.286431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.286431 (E_RNA)
where:
Base-Base interactions energy: -325.479
where: short stacking energy: -155.743
Base-Backbone interact. energy: -0.869
local terms energy: -148.938885
where:
bonds (distance) C4'-P energy: -24.529
bonds (distance) P-C4' energy: -27.192
flat angles C4'-P-C4' energy: -35.609
flat angles P-C4'-P energy: -17.961
tors. eta vs tors. theta energy: -43.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -467.237872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.237872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.237872 (E_RNA)
where:
Base-Base interactions energy: -320.523
where: short stacking energy: -140.520
Base-Backbone interact. energy: -0.686
local terms energy: -146.028713
where:
bonds (distance) C4'-P energy: -30.409
bonds (distance) P-C4' energy: -31.779
flat angles C4'-P-C4' energy: -29.626
flat angles P-C4'-P energy: -18.525
tors. eta vs tors. theta energy: -35.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -491.133196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.133196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.133196 (E_RNA)
where:
Base-Base interactions energy: -356.933
where: short stacking energy: -153.102
Base-Backbone interact. energy: 0.538
local terms energy: -134.738211
where:
bonds (distance) C4'-P energy: -21.796
bonds (distance) P-C4' energy: -31.131
flat angles C4'-P-C4' energy: -29.363
flat angles P-C4'-P energy: -14.628
tors. eta vs tors. theta energy: -37.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -382.295435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.295435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.295435 (E_RNA)
where:
Base-Base interactions energy: -253.626
where: short stacking energy: -122.969
Base-Backbone interact. energy: 0.834
local terms energy: -129.503265
where:
bonds (distance) C4'-P energy: -23.407
bonds (distance) P-C4' energy: -31.863
flat angles C4'-P-C4' energy: -31.066
flat angles P-C4'-P energy: -15.699
tors. eta vs tors. theta energy: -27.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -360.827366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.827366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.827366 (E_RNA)
where:
Base-Base interactions energy: -222.247
where: short stacking energy: -93.991
Base-Backbone interact. energy: -1.169
local terms energy: -137.411657
where:
bonds (distance) C4'-P energy: -26.379
bonds (distance) P-C4' energy: -35.218
flat angles C4'-P-C4' energy: -33.548
flat angles P-C4'-P energy: -21.372
tors. eta vs tors. theta energy: -20.893
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: 4
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -292.020960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.020960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.020960 (E_RNA)
where:
Base-Base interactions energy: -184.508
where: short stacking energy: -89.648
Base-Backbone interact. energy: -0.231
local terms energy: -107.282431
where:
bonds (distance) C4'-P energy: -23.992
bonds (distance) P-C4' energy: -28.559
flat angles C4'-P-C4' energy: -20.844
flat angles P-C4'-P energy: -15.634
tors. eta vs tors. theta energy: -18.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -581.869938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.869938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.869938 (E_RNA)
where:
Base-Base interactions energy: -420.825
where: short stacking energy: -177.192
Base-Backbone interact. energy: -1.330
local terms energy: -159.715362
where:
bonds (distance) C4'-P energy: -25.768
bonds (distance) P-C4' energy: -30.625
flat angles C4'-P-C4' energy: -32.968
flat angles P-C4'-P energy: -25.117
tors. eta vs tors. theta energy: -45.238
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: 69
Temperature: 0.950000
Total energy: -569.776171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.776171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.776171 (E_RNA)
where:
Base-Base interactions energy: -399.617
where: short stacking energy: -177.185
Base-Backbone interact. energy: -0.441
local terms energy: -169.717872
where:
bonds (distance) C4'-P energy: -29.417
bonds (distance) P-C4' energy: -29.163
flat angles C4'-P-C4' energy: -35.231
flat angles P-C4'-P energy: -24.409
tors. eta vs tors. theta energy: -51.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -544.065536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.065536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.065536 (E_RNA)
where:
Base-Base interactions energy: -386.215
where: short stacking energy: -160.598
Base-Backbone interact. energy: -0.694
local terms energy: -157.157202
where:
bonds (distance) C4'-P energy: -21.289
bonds (distance) P-C4' energy: -31.221
flat angles C4'-P-C4' energy: -38.829
flat angles P-C4'-P energy: -21.212
tors. eta vs tors. theta energy: -44.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -533.474837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.474837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.474837 (E_RNA)
where:
Base-Base interactions energy: -369.691
where: short stacking energy: -151.951
Base-Backbone interact. energy: -0.364
local terms energy: -163.419642
where:
bonds (distance) C4'-P energy: -30.074
bonds (distance) P-C4' energy: -30.947
flat angles C4'-P-C4' energy: -33.180
flat angles P-C4'-P energy: -26.215
tors. eta vs tors. theta energy: -43.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -496.763701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.763701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.763701 (E_RNA)
where:
Base-Base interactions energy: -332.208
where: short stacking energy: -160.063
Base-Backbone interact. energy: 4.038
local terms energy: -168.593597
where:
bonds (distance) C4'-P energy: -31.830
bonds (distance) P-C4' energy: -32.896
flat angles C4'-P-C4' energy: -36.721
flat angles P-C4'-P energy: -25.235
tors. eta vs tors. theta energy: -41.912
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: 5
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -494.002577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.002577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.002577 (E_RNA)
where:
Base-Base interactions energy: -344.766
where: short stacking energy: -153.181
Base-Backbone interact. energy: -0.183
local terms energy: -149.053463
where:
bonds (distance) C4'-P energy: -35.755
bonds (distance) P-C4' energy: -26.411
flat angles C4'-P-C4' energy: -34.536
flat angles P-C4'-P energy: -18.175
tors. eta vs tors. theta energy: -34.176
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: 3
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -462.475901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.475901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.475901 (E_RNA)
where:
Base-Base interactions energy: -318.648
where: short stacking energy: -137.232
Base-Backbone interact. energy: -0.069
local terms energy: -143.759076
where:
bonds (distance) C4'-P energy: -30.152
bonds (distance) P-C4' energy: -27.413
flat angles C4'-P-C4' energy: -31.293
flat angles P-C4'-P energy: -18.647
tors. eta vs tors. theta energy: -36.254
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: 69
Temperature: 1.250000
Total energy: -382.853027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.853027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.853027 (E_RNA)
where:
Base-Base interactions energy: -242.424
where: short stacking energy: -106.077
Base-Backbone interact. energy: -0.266
local terms energy: -140.163059
where:
bonds (distance) C4'-P energy: -28.616
bonds (distance) P-C4' energy: -30.569
flat angles C4'-P-C4' energy: -34.060
flat angles P-C4'-P energy: -19.857
tors. eta vs tors. theta energy: -27.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -295.517334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.517334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.517334 (E_RNA)
where:
Base-Base interactions energy: -187.155
where: short stacking energy: -99.092
Base-Backbone interact. energy: 0.090
local terms energy: -108.452941
where:
bonds (distance) C4'-P energy: -25.881
bonds (distance) P-C4' energy: -22.123
flat angles C4'-P-C4' energy: -27.076
flat angles P-C4'-P energy: -14.782
tors. eta vs tors. theta energy: -18.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -297.327909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.327909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.327909 (E_RNA)
where:
Base-Base interactions energy: -187.859
where: short stacking energy: -96.011
Base-Backbone interact. energy: -0.230
local terms energy: -109.238574
where:
bonds (distance) C4'-P energy: -23.879
bonds (distance) P-C4' energy: -26.198
flat angles C4'-P-C4' energy: -19.829
flat angles P-C4'-P energy: -18.154
tors. eta vs tors. theta energy: -21.179
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: 2
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -588.412085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.412085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.412085 (E_RNA)
where:
Base-Base interactions energy: -408.909
where: short stacking energy: -182.521
Base-Backbone interact. energy: -0.388
local terms energy: -179.115015
where:
bonds (distance) C4'-P energy: -32.772
bonds (distance) P-C4' energy: -29.835
flat angles C4'-P-C4' energy: -38.122
flat angles P-C4'-P energy: -26.676
tors. eta vs tors. theta energy: -51.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -561.738477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.738477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.738477 (E_RNA)
where:
Base-Base interactions energy: -397.482
where: short stacking energy: -165.475
Base-Backbone interact. energy: 0.440
local terms energy: -164.696298
where:
bonds (distance) C4'-P energy: -30.236
bonds (distance) P-C4' energy: -34.753
flat angles C4'-P-C4' energy: -30.847
flat angles P-C4'-P energy: -23.048
tors. eta vs tors. theta energy: -45.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -550.971902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.971902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.971902 (E_RNA)
where:
Base-Base interactions energy: -380.183
where: short stacking energy: -164.977
Base-Backbone interact. energy: -1.644
local terms energy: -169.145320
where:
bonds (distance) C4'-P energy: -27.440
bonds (distance) P-C4' energy: -27.475
flat angles C4'-P-C4' energy: -38.116
flat angles P-C4'-P energy: -27.643
tors. eta vs tors. theta energy: -48.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -536.653955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.653955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.653955 (E_RNA)
where:
Base-Base interactions energy: -373.094
where: short stacking energy: -162.571
Base-Backbone interact. energy: -0.839
local terms energy: -162.721610
where:
bonds (distance) C4'-P energy: -25.436
bonds (distance) P-C4' energy: -30.890
flat angles C4'-P-C4' energy: -36.017
flat angles P-C4'-P energy: -21.277
tors. eta vs tors. theta energy: -49.102
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: 70
Temperature: 1.100000
Total energy: -514.382628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.382628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.382628 (E_RNA)
where:
Base-Base interactions energy: -354.800
where: short stacking energy: -166.417
Base-Backbone interact. energy: -1.270
local terms energy: -158.312703
where:
bonds (distance) C4'-P energy: -23.531
bonds (distance) P-C4' energy: -32.270
flat angles C4'-P-C4' energy: -32.289
flat angles P-C4'-P energy: -27.142
tors. eta vs tors. theta energy: -43.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -470.732388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.732388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.732388 (E_RNA)
where:
Base-Base interactions energy: -329.240
where: short stacking energy: -138.209
Base-Backbone interact. energy: -0.938
local terms energy: -140.553813
where:
bonds (distance) C4'-P energy: -25.679
bonds (distance) P-C4' energy: -23.393
flat angles C4'-P-C4' energy: -30.855
flat angles P-C4'-P energy: -22.632
tors. eta vs tors. theta energy: -37.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -473.762366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.762366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.762366 (E_RNA)
where:
Base-Base interactions energy: -325.928
where: short stacking energy: -131.043
Base-Backbone interact. energy: -0.954
local terms energy: -146.880060
where:
bonds (distance) C4'-P energy: -28.239
bonds (distance) P-C4' energy: -30.320
flat angles C4'-P-C4' energy: -30.745
flat angles P-C4'-P energy: -20.469
tors. eta vs tors. theta energy: -37.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -374.062549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.062549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.062549 (E_RNA)
where:
Base-Base interactions energy: -243.886
where: short stacking energy: -123.346
Base-Backbone interact. energy: -0.352
local terms energy: -129.824588
where:
bonds (distance) C4'-P energy: -26.828
bonds (distance) P-C4' energy: -27.603
flat angles C4'-P-C4' energy: -27.670
flat angles P-C4'-P energy: -18.535
tors. eta vs tors. theta energy: -29.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -308.006625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.006625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.006625 (E_RNA)
where:
Base-Base interactions energy: -187.451
where: short stacking energy: -95.299
Base-Backbone interact. energy: 1.046
local terms energy: -121.601077
where:
bonds (distance) C4'-P energy: -21.744
bonds (distance) P-C4' energy: -38.657
flat angles C4'-P-C4' energy: -30.354
flat angles P-C4'-P energy: -14.508
tors. eta vs tors. theta energy: -16.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -295.916373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.916373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.916373 (E_RNA)
where:
Base-Base interactions energy: -166.076
where: short stacking energy: -84.859
Base-Backbone interact. energy: 1.148
local terms energy: -130.988694
where:
bonds (distance) C4'-P energy: -33.894
bonds (distance) P-C4' energy: -27.889
flat angles C4'-P-C4' energy: -28.643
flat angles P-C4'-P energy: -21.025
tors. eta vs tors. theta energy: -19.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -581.118208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.118208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.118208 (E_RNA)
where:
Base-Base interactions energy: -402.234
where: short stacking energy: -179.947
Base-Backbone interact. energy: 0.659
local terms energy: -179.542755
where:
bonds (distance) C4'-P energy: -30.856
bonds (distance) P-C4' energy: -37.579
flat angles C4'-P-C4' energy: -34.549
flat angles P-C4'-P energy: -30.098
tors. eta vs tors. theta energy: -46.461
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: 7
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -574.930220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.930220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.930220 (E_RNA)
where:
Base-Base interactions energy: -399.337
where: short stacking energy: -172.897
Base-Backbone interact. energy: -1.302
local terms energy: -174.291109
where:
bonds (distance) C4'-P energy: -30.649
bonds (distance) P-C4' energy: -30.901
flat angles C4'-P-C4' energy: -36.073
flat angles P-C4'-P energy: -26.286
tors. eta vs tors. theta energy: -50.382
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: 8
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -556.830212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.830212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.830212 (E_RNA)
where:
Base-Base interactions energy: -390.307
where: short stacking energy: -168.463
Base-Backbone interact. energy: -0.358
local terms energy: -166.165353
where:
bonds (distance) C4'-P energy: -29.338
bonds (distance) P-C4' energy: -29.788
flat angles C4'-P-C4' energy: -33.717
flat angles P-C4'-P energy: -26.180
tors. eta vs tors. theta energy: -47.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -538.654741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.654741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.654741 (E_RNA)
where:
Base-Base interactions energy: -381.278
where: short stacking energy: -154.834
Base-Backbone interact. energy: -0.029
local terms energy: -157.347595
where:
bonds (distance) C4'-P energy: -32.582
bonds (distance) P-C4' energy: -28.582
flat angles C4'-P-C4' energy: -33.759
flat angles P-C4'-P energy: -19.482
tors. eta vs tors. theta energy: -42.943
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: 5
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -483.303011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.303011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.303011 (E_RNA)
where:
Base-Base interactions energy: -324.041
where: short stacking energy: -141.457
Base-Backbone interact. energy: -0.760
local terms energy: -158.501602
where:
bonds (distance) C4'-P energy: -31.536
bonds (distance) P-C4' energy: -34.836
flat angles C4'-P-C4' energy: -33.726
flat angles P-C4'-P energy: -24.602
tors. eta vs tors. theta energy: -33.802
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: 3
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -453.194545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.194545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.194545 (E_RNA)
where:
Base-Base interactions energy: -318.360
where: short stacking energy: -135.981
Base-Backbone interact. energy: -1.165
local terms energy: -133.669760
where:
bonds (distance) C4'-P energy: -26.484
bonds (distance) P-C4' energy: -25.251
flat angles C4'-P-C4' energy: -29.340
flat angles P-C4'-P energy: -17.874
tors. eta vs tors. theta energy: -34.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -476.934663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.934663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.934663 (E_RNA)
where:
Base-Base interactions energy: -327.323
where: short stacking energy: -132.466
Base-Backbone interact. energy: 0.150
local terms energy: -149.761582
where:
bonds (distance) C4'-P energy: -30.278
bonds (distance) P-C4' energy: -30.714
flat angles C4'-P-C4' energy: -34.668
flat angles P-C4'-P energy: -20.651
tors. eta vs tors. theta energy: -33.451
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: 8, replica: 10
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -373.433130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.433130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.433130 (E_RNA)
where:
Base-Base interactions energy: -242.195
where: short stacking energy: -117.538
Base-Backbone interact. energy: -0.404
local terms energy: -130.834965
where:
bonds (distance) C4'-P energy: -25.737
bonds (distance) P-C4' energy: -32.385
flat angles C4'-P-C4' energy: -24.308
flat angles P-C4'-P energy: -15.049
tors. eta vs tors. theta energy: -33.356
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: 71
Temperature: 1.300000
Total energy: -320.822954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.822954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.822954 (E_RNA)
where:
Base-Base interactions energy: -206.770
where: short stacking energy: -91.586
Base-Backbone interact. energy: -0.417
local terms energy: -113.635992
where:
bonds (distance) C4'-P energy: -23.205
bonds (distance) P-C4' energy: -26.431
flat angles C4'-P-C4' energy: -30.601
flat angles P-C4'-P energy: -15.068
tors. eta vs tors. theta energy: -18.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -290.723167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.723167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.723167 (E_RNA)
where:
Base-Base interactions energy: -181.481
where: short stacking energy: -98.324
Base-Backbone interact. energy: -0.300
local terms energy: -108.941329
where:
bonds (distance) C4'-P energy: -18.781
bonds (distance) P-C4' energy: -28.455
flat angles C4'-P-C4' energy: -23.662
flat angles P-C4'-P energy: -14.931
tors. eta vs tors. theta energy: -23.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -579.502670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.502670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.502670 (E_RNA)
where:
Base-Base interactions energy: -405.870
where: short stacking energy: -171.324
Base-Backbone interact. energy: -1.159
local terms energy: -172.472973
where:
bonds (distance) C4'-P energy: -26.781
bonds (distance) P-C4' energy: -36.729
flat angles C4'-P-C4' energy: -33.391
flat angles P-C4'-P energy: -25.798
tors. eta vs tors. theta energy: -49.774
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: 2
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -571.685372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.685372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.685372 (E_RNA)
where:
Base-Base interactions energy: -389.687
where: short stacking energy: -180.117
Base-Backbone interact. energy: -0.808
local terms energy: -181.190388
where:
bonds (distance) C4'-P energy: -28.079
bonds (distance) P-C4' energy: -36.247
flat angles C4'-P-C4' energy: -35.550
flat angles P-C4'-P energy: -27.042
tors. eta vs tors. theta energy: -54.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -547.570341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.570341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.570341 (E_RNA)
where:
Base-Base interactions energy: -385.472
where: short stacking energy: -169.384
Base-Backbone interact. energy: 0.288
local terms energy: -162.386864
where:
bonds (distance) C4'-P energy: -25.453
bonds (distance) P-C4' energy: -37.304
flat angles C4'-P-C4' energy: -33.725
flat angles P-C4'-P energy: -19.892
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: 4, replica: 6
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -540.932821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.932821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.932821 (E_RNA)
where:
Base-Base interactions energy: -386.949
where: short stacking energy: -157.847
Base-Backbone interact. energy: -1.260
local terms energy: -152.724166
where:
bonds (distance) C4'-P energy: -26.764
bonds (distance) P-C4' energy: -27.787
flat angles C4'-P-C4' energy: -29.831
flat angles P-C4'-P energy: -24.533
tors. eta vs tors. theta energy: -43.809
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: 3
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -469.734764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.734764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.734764 (E_RNA)
where:
Base-Base interactions energy: -322.754
where: short stacking energy: -145.733
Base-Backbone interact. energy: -0.192
local terms energy: -146.788488
where:
bonds (distance) C4'-P energy: -33.074
bonds (distance) P-C4' energy: -24.461
flat angles C4'-P-C4' energy: -33.068
flat angles P-C4'-P energy: -21.635
tors. eta vs tors. theta energy: -34.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -477.544840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.544840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.544840 (E_RNA)
where:
Base-Base interactions energy: -329.025
where: short stacking energy: -147.499
Base-Backbone interact. energy: 0.151
local terms energy: -148.670206
where:
bonds (distance) C4'-P energy: -27.484
bonds (distance) P-C4' energy: -30.865
flat angles C4'-P-C4' energy: -32.304
flat angles P-C4'-P energy: -20.876
tors. eta vs tors. theta energy: -37.142
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: 1
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -476.288152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.288152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.288152 (E_RNA)
where:
Base-Base interactions energy: -331.372
where: short stacking energy: -135.799
Base-Backbone interact. energy: -1.805
local terms energy: -143.111184
where:
bonds (distance) C4'-P energy: -29.717
bonds (distance) P-C4' energy: -32.660
flat angles C4'-P-C4' energy: -29.883
flat angles P-C4'-P energy: -17.988
tors. eta vs tors. theta energy: -32.864
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: 10
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -404.697101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.697101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.697101 (E_RNA)
where:
Base-Base interactions energy: -265.875
where: short stacking energy: -123.207
Base-Backbone interact. energy: -0.016
local terms energy: -138.806495
where:
bonds (distance) C4'-P energy: -27.374
bonds (distance) P-C4' energy: -31.503
flat angles C4'-P-C4' energy: -28.091
flat angles P-C4'-P energy: -17.622
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: 9, replica: 9
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -336.941966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.941966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.941966 (E_RNA)
where:
Base-Base interactions energy: -209.966
where: short stacking energy: -94.205
Base-Backbone interact. energy: -0.364
local terms energy: -126.611405
where:
bonds (distance) C4'-P energy: -30.809
bonds (distance) P-C4' energy: -27.356
flat angles C4'-P-C4' energy: -26.881
flat angles P-C4'-P energy: -23.787
tors. eta vs tors. theta energy: -17.779
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: 4
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -301.392892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.392892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.392892 (E_RNA)
where:
Base-Base interactions energy: -176.064
where: short stacking energy: -92.262
Base-Backbone interact. energy: 0.049
local terms energy: -125.377857
where:
bonds (distance) C4'-P energy: -35.794
bonds (distance) P-C4' energy: -25.446
flat angles C4'-P-C4' energy: -31.143
flat angles P-C4'-P energy: -19.132
tors. eta vs tors. theta energy: -13.864
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: 1, replica: 7
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -590.422225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.422225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.422225 (E_RNA)
where:
Base-Base interactions energy: -414.371
where: short stacking energy: -161.289
Base-Backbone interact. energy: -2.258
local terms energy: -173.793109
where:
bonds (distance) C4'-P energy: -32.612
bonds (distance) P-C4' energy: -31.980
flat angles C4'-P-C4' energy: -35.639
flat angles P-C4'-P energy: -28.065
tors. eta vs tors. theta energy: -45.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -575.697166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.697166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.697166 (E_RNA)
where:
Base-Base interactions energy: -394.088
where: short stacking energy: -172.029
Base-Backbone interact. energy: -1.396
local terms energy: -180.212692
where:
bonds (distance) C4'-P energy: -34.052
bonds (distance) P-C4' energy: -37.198
flat angles C4'-P-C4' energy: -36.744
flat angles P-C4'-P energy: -24.767
tors. eta vs tors. theta energy: -47.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -570.265948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.265948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.265948 (E_RNA)
where:
Base-Base interactions energy: -401.889
where: short stacking energy: -167.673
Base-Backbone interact. energy: -2.282
local terms energy: -166.094656
where:
bonds (distance) C4'-P energy: -27.177
bonds (distance) P-C4' energy: -31.592
flat angles C4'-P-C4' energy: -37.808
flat angles P-C4'-P energy: -25.344
tors. eta vs tors. theta energy: -44.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -540.149490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.149490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.149490 (E_RNA)
where:
Base-Base interactions energy: -381.506
where: short stacking energy: -156.856
Base-Backbone interact. energy: -0.334
local terms energy: -158.308764
where:
bonds (distance) C4'-P energy: -30.949
bonds (distance) P-C4' energy: -33.302
flat angles C4'-P-C4' energy: -34.325
flat angles P-C4'-P energy: -20.244
tors. eta vs tors. theta energy: -39.489
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: 73
Temperature: 1.100000
Total energy: -490.762789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.762789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.762789 (E_RNA)
where:
Base-Base interactions energy: -331.888
where: short stacking energy: -155.138
Base-Backbone interact. energy: -0.773
local terms energy: -158.101821
where:
bonds (distance) C4'-P energy: -24.935
bonds (distance) P-C4' energy: -32.128
flat angles C4'-P-C4' energy: -32.688
flat angles P-C4'-P energy: -25.475
tors. eta vs tors. theta energy: -42.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -476.913492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.913492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.913492 (E_RNA)
where:
Base-Base interactions energy: -330.521
where: short stacking energy: -137.166
Base-Backbone interact. energy: 0.828
local terms energy: -147.220547
where:
bonds (distance) C4'-P energy: -27.480
bonds (distance) P-C4' energy: -30.068
flat angles C4'-P-C4' energy: -27.863
flat angles P-C4'-P energy: -26.082
tors. eta vs tors. theta energy: -35.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -480.396782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.396782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.396782 (E_RNA)
where:
Base-Base interactions energy: -341.108
where: short stacking energy: -137.461
Base-Backbone interact. energy: -0.695
local terms energy: -138.594127
where:
bonds (distance) C4'-P energy: -23.997
bonds (distance) P-C4' energy: -27.562
flat angles C4'-P-C4' energy: -32.924
flat angles P-C4'-P energy: -22.347
tors. eta vs tors. theta energy: -31.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -404.178896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.178896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.178896 (E_RNA)
where:
Base-Base interactions energy: -285.258
where: short stacking energy: -121.976
Base-Backbone interact. energy: 2.224
local terms energy: -121.144760
where:
bonds (distance) C4'-P energy: -18.020
bonds (distance) P-C4' energy: -29.518
flat angles C4'-P-C4' energy: -26.037
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -34.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -294.103268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.103268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.103268 (E_RNA)
where:
Base-Base interactions energy: -190.175
where: short stacking energy: -89.916
Base-Backbone interact. energy: -0.578
local terms energy: -103.350784
where:
bonds (distance) C4'-P energy: -25.584
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -29.647
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: -19.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -291.882155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.882155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.882155 (E_RNA)
where:
Base-Base interactions energy: -182.928
where: short stacking energy: -89.687
Base-Backbone interact. energy: 1.718
local terms energy: -110.671932
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -25.739
flat angles C4'-P-C4' energy: -31.654
flat angles P-C4'-P energy: -17.237
tors. eta vs tors. theta energy: -19.914
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: 7
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -581.911138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.911138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.911138 (E_RNA)
where:
Base-Base interactions energy: -408.493
where: short stacking energy: -164.794
Base-Backbone interact. energy: -0.191
local terms energy: -173.226458
where:
bonds (distance) C4'-P energy: -30.470
bonds (distance) P-C4' energy: -33.464
flat angles C4'-P-C4' energy: -34.385
flat angles P-C4'-P energy: -25.941
tors. eta vs tors. theta energy: -48.967
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: 2, replica: 2
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -571.782996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.782996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.782996 (E_RNA)
where:
Base-Base interactions energy: -403.294
where: short stacking energy: -175.420
Base-Backbone interact. energy: -0.151
local terms energy: -168.337405
where:
bonds (distance) C4'-P energy: -32.703
bonds (distance) P-C4' energy: -29.102
flat angles C4'-P-C4' energy: -34.355
flat angles P-C4'-P energy: -21.677
tors. eta vs tors. theta energy: -50.500
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: 3, replica: 6
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -552.556674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.556674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.556674 (E_RNA)
where:
Base-Base interactions energy: -386.753
where: short stacking energy: -160.311
Base-Backbone interact. energy: 3.118
local terms energy: -168.922100
where:
bonds (distance) C4'-P energy: -34.985
bonds (distance) P-C4' energy: -34.651
flat angles C4'-P-C4' energy: -27.444
flat angles P-C4'-P energy: -29.325
tors. eta vs tors. theta energy: -42.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -554.432652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.432652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.432652 (E_RNA)
where:
Base-Base interactions energy: -389.114
where: short stacking energy: -165.839
Base-Backbone interact. energy: -0.052
local terms energy: -165.266722
where:
bonds (distance) C4'-P energy: -34.816
bonds (distance) P-C4' energy: -30.555
flat angles C4'-P-C4' energy: -35.791
flat angles P-C4'-P energy: -17.994
tors. eta vs tors. theta energy: -46.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -499.459890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.459890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.459890 (E_RNA)
where:
Base-Base interactions energy: -348.741
where: short stacking energy: -156.273
Base-Backbone interact. energy: -0.157
local terms energy: -150.562397
where:
bonds (distance) C4'-P energy: -29.891
bonds (distance) P-C4' energy: -22.944
flat angles C4'-P-C4' energy: -31.847
flat angles P-C4'-P energy: -21.444
tors. eta vs tors. theta energy: -44.438
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: 74
Temperature: 1.150000
Total energy: -485.056590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.056590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.056590 (E_RNA)
where:
Base-Base interactions energy: -330.928
where: short stacking energy: -147.636
Base-Backbone interact. energy: -0.218
local terms energy: -153.910528
where:
bonds (distance) C4'-P energy: -28.904
bonds (distance) P-C4' energy: -35.573
flat angles C4'-P-C4' energy: -35.471
flat angles P-C4'-P energy: -14.214
tors. eta vs tors. theta energy: -39.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -494.898939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.898939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.898939 (E_RNA)
where:
Base-Base interactions energy: -348.423
where: short stacking energy: -148.839
Base-Backbone interact. energy: -0.977
local terms energy: -145.498794
where:
bonds (distance) C4'-P energy: -25.105
bonds (distance) P-C4' energy: -25.006
flat angles C4'-P-C4' energy: -31.726
flat angles P-C4'-P energy: -22.605
tors. eta vs tors. theta energy: -41.057
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: 74
Temperature: 1.250000
Total energy: -383.302798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.302798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.302798 (E_RNA)
where:
Base-Base interactions energy: -245.190
where: short stacking energy: -120.424
Base-Backbone interact. energy: -0.479
local terms energy: -137.633810
where:
bonds (distance) C4'-P energy: -30.594
bonds (distance) P-C4' energy: -26.364
flat angles C4'-P-C4' energy: -25.398
flat angles P-C4'-P energy: -20.422
tors. eta vs tors. theta energy: -34.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -319.491918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.491918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.491918 (E_RNA)
where:
Base-Base interactions energy: -202.361
where: short stacking energy: -116.534
Base-Backbone interact. energy: -0.745
local terms energy: -116.386061
where:
bonds (distance) C4'-P energy: -21.061
bonds (distance) P-C4' energy: -29.073
flat angles C4'-P-C4' energy: -27.296
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -27.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -283.151913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.151913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.151913 (E_RNA)
where:
Base-Base interactions energy: -176.037
where: short stacking energy: -79.448
Base-Backbone interact. energy: 2.540
local terms energy: -109.654998
where:
bonds (distance) C4'-P energy: -23.079
bonds (distance) P-C4' energy: -28.718
flat angles C4'-P-C4' energy: -20.117
flat angles P-C4'-P energy: -20.569
tors. eta vs tors. theta energy: -17.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -582.129989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.129989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.129989 (E_RNA)
where:
Base-Base interactions energy: -407.117
where: short stacking energy: -176.788
Base-Backbone interact. energy: -3.304
local terms energy: -171.708610
where:
bonds (distance) C4'-P energy: -29.490
bonds (distance) P-C4' energy: -31.135
flat angles C4'-P-C4' energy: -38.617
flat angles P-C4'-P energy: -21.905
tors. eta vs tors. theta energy: -50.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -564.123534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.123534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.123534 (E_RNA)
where:
Base-Base interactions energy: -401.358
where: short stacking energy: -168.479
Base-Backbone interact. energy: 0.463
local terms energy: -163.228732
where:
bonds (distance) C4'-P energy: -34.010
bonds (distance) P-C4' energy: -28.967
flat angles C4'-P-C4' energy: -36.295
flat angles P-C4'-P energy: -19.601
tors. eta vs tors. theta energy: -44.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -555.375873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.375873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.375873 (E_RNA)
where:
Base-Base interactions energy: -394.498
where: short stacking energy: -168.155
Base-Backbone interact. energy: 0.078
local terms energy: -160.956671
where:
bonds (distance) C4'-P energy: -30.417
bonds (distance) P-C4' energy: -27.469
flat angles C4'-P-C4' energy: -37.247
flat angles P-C4'-P energy: -19.941
tors. eta vs tors. theta energy: -45.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -549.719022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.719022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.719022 (E_RNA)
where:
Base-Base interactions energy: -376.257
where: short stacking energy: -168.399
Base-Backbone interact. energy: 0.399
local terms energy: -173.860434
where:
bonds (distance) C4'-P energy: -30.200
bonds (distance) P-C4' energy: -32.370
flat angles C4'-P-C4' energy: -37.231
flat angles P-C4'-P energy: -25.634
tors. eta vs tors. theta energy: -48.424
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: 5, replica: 1
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -514.307277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.307277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.307277 (E_RNA)
where:
Base-Base interactions energy: -362.652
where: short stacking energy: -152.591
Base-Backbone interact. energy: -1.052
local terms energy: -150.603130
where:
bonds (distance) C4'-P energy: -32.684
bonds (distance) P-C4' energy: -28.682
flat angles C4'-P-C4' energy: -32.023
flat angles P-C4'-P energy: -21.748
tors. eta vs tors. theta energy: -35.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -508.894264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.894264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.894264 (E_RNA)
where:
Base-Base interactions energy: -350.352
where: short stacking energy: -160.878
Base-Backbone interact. energy: 0.049
local terms energy: -158.590806
where:
bonds (distance) C4'-P energy: -21.446
bonds (distance) P-C4' energy: -38.273
flat angles C4'-P-C4' energy: -28.018
flat angles P-C4'-P energy: -24.958
tors. eta vs tors. theta energy: -45.895
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: 3
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -480.333464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.333464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.333464 (E_RNA)
where:
Base-Base interactions energy: -330.997
where: short stacking energy: -147.475
Base-Backbone interact. energy: -0.750
local terms energy: -148.586250
where:
bonds (distance) C4'-P energy: -25.376
bonds (distance) P-C4' energy: -30.309
flat angles C4'-P-C4' energy: -29.941
flat angles P-C4'-P energy: -24.258
tors. eta vs tors. theta energy: -38.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -325.242409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.242409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.242409 (E_RNA)
where:
Base-Base interactions energy: -196.616
where: short stacking energy: -98.784
Base-Backbone interact. energy: -0.384
local terms energy: -128.241673
where:
bonds (distance) C4'-P energy: -21.777
bonds (distance) P-C4' energy: -34.333
flat angles C4'-P-C4' energy: -33.416
flat angles P-C4'-P energy: -20.048
tors. eta vs tors. theta energy: -18.668
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: 10
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -355.353097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.353097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.353097 (E_RNA)
where:
Base-Base interactions energy: -229.834
where: short stacking energy: -100.044
Base-Backbone interact. energy: 1.948
local terms energy: -127.467602
where:
bonds (distance) C4'-P energy: -28.145
bonds (distance) P-C4' energy: -34.226
flat angles C4'-P-C4' energy: -30.627
flat angles P-C4'-P energy: -18.559
tors. eta vs tors. theta energy: -15.911
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: 10, replica: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -254.202888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.202888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.202888 (E_RNA)
where:
Base-Base interactions energy: -152.647
where: short stacking energy: -85.065
Base-Backbone interact. energy: -0.410
local terms energy: -101.146731
where:
bonds (distance) C4'-P energy: -22.916
bonds (distance) P-C4' energy: -18.299
flat angles C4'-P-C4' energy: -27.971
flat angles P-C4'-P energy: -15.582
tors. eta vs tors. theta energy: -16.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -595.389650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.389650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.389650 (E_RNA)
where:
Base-Base interactions energy: -412.724
where: short stacking energy: -177.368
Base-Backbone interact. energy: -2.853
local terms energy: -179.812310
where:
bonds (distance) C4'-P energy: -33.517
bonds (distance) P-C4' energy: -31.424
flat angles C4'-P-C4' energy: -33.775
flat angles P-C4'-P energy: -30.959
tors. eta vs tors. theta energy: -50.136
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: 2, replica: 2
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -560.398747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.398747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.398747 (E_RNA)
where:
Base-Base interactions energy: -398.801
where: short stacking energy: -164.715
Base-Backbone interact. energy: -0.264
local terms energy: -161.333174
where:
bonds (distance) C4'-P energy: -30.462
bonds (distance) P-C4' energy: -25.780
flat angles C4'-P-C4' energy: -34.112
flat angles P-C4'-P energy: -28.003
tors. eta vs tors. theta energy: -42.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -551.261425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.261425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.261425 (E_RNA)
where:
Base-Base interactions energy: -379.358
where: short stacking energy: -163.419
Base-Backbone interact. energy: -0.807
local terms energy: -171.097228
where:
bonds (distance) C4'-P energy: -29.729
bonds (distance) P-C4' energy: -29.903
flat angles C4'-P-C4' energy: -37.354
flat angles P-C4'-P energy: -27.648
tors. eta vs tors. theta energy: -46.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -535.594015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.594015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.594015 (E_RNA)
where:
Base-Base interactions energy: -391.476
where: short stacking energy: -159.090
Base-Backbone interact. energy: -1.256
local terms energy: -142.862156
where:
bonds (distance) C4'-P energy: -19.652
bonds (distance) P-C4' energy: -26.126
flat angles C4'-P-C4' energy: -24.004
flat angles P-C4'-P energy: -26.471
tors. eta vs tors. theta energy: -46.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -524.162010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.162010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.162010 (E_RNA)
where:
Base-Base interactions energy: -379.185
where: short stacking energy: -160.334
Base-Backbone interact. energy: -0.650
local terms energy: -144.326868
where:
bonds (distance) C4'-P energy: -25.493
bonds (distance) P-C4' energy: -27.820
flat angles C4'-P-C4' energy: -25.452
flat angles P-C4'-P energy: -20.468
tors. eta vs tors. theta energy: -45.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -495.180738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.180738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.180738 (E_RNA)
where:
Base-Base interactions energy: -332.537
where: short stacking energy: -156.983
Base-Backbone interact. energy: -0.372
local terms energy: -162.271638
where:
bonds (distance) C4'-P energy: -31.642
bonds (distance) P-C4' energy: -34.843
flat angles C4'-P-C4' energy: -33.618
flat angles P-C4'-P energy: -18.033
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: 7, replica: 3
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -476.990999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.990999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.990999 (E_RNA)
where:
Base-Base interactions energy: -320.585
where: short stacking energy: -145.789
Base-Backbone interact. energy: -0.551
local terms energy: -155.855109
where:
bonds (distance) C4'-P energy: -27.845
bonds (distance) P-C4' energy: -30.935
flat angles C4'-P-C4' energy: -33.382
flat angles P-C4'-P energy: -21.734
tors. eta vs tors. theta energy: -41.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -317.384888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.384888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.384888 (E_RNA)
where:
Base-Base interactions energy: -205.012
where: short stacking energy: -91.033
Base-Backbone interact. energy: 0.820
local terms energy: -113.192931
where:
bonds (distance) C4'-P energy: -23.094
bonds (distance) P-C4' energy: -30.928
flat angles C4'-P-C4' energy: -26.619
flat angles P-C4'-P energy: -17.327
tors. eta vs tors. theta energy: -15.224
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: 10
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -386.873725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.873725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.873725 (E_RNA)
where:
Base-Base interactions energy: -258.648
where: short stacking energy: -124.675
Base-Backbone interact. energy: -0.348
local terms energy: -127.877814
where:
bonds (distance) C4'-P energy: -27.690
bonds (distance) P-C4' energy: -31.461
flat angles C4'-P-C4' energy: -32.651
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -25.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -279.817711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.817711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.817711 (E_RNA)
where:
Base-Base interactions energy: -161.503
where: short stacking energy: -73.486
Base-Backbone interact. energy: -0.544
local terms energy: -117.770584
where:
bonds (distance) C4'-P energy: -30.098
bonds (distance) P-C4' energy: -35.069
flat angles C4'-P-C4' energy: -24.611
flat angles P-C4'-P energy: -13.922
tors. eta vs tors. theta energy: -14.070
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: 1, replica: 7
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -578.841606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.841606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.841606 (E_RNA)
where:
Base-Base interactions energy: -400.745
where: short stacking energy: -167.226
Base-Backbone interact. energy: -0.651
local terms energy: -177.445888
where:
bonds (distance) C4'-P energy: -35.779
bonds (distance) P-C4' energy: -34.680
flat angles C4'-P-C4' energy: -38.566
flat angles P-C4'-P energy: -19.852
tors. eta vs tors. theta energy: -48.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -563.221581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.221581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.221581 (E_RNA)
where:
Base-Base interactions energy: -393.802
where: short stacking energy: -168.563
Base-Backbone interact. energy: -0.454
local terms energy: -168.965571
where:
bonds (distance) C4'-P energy: -28.643
bonds (distance) P-C4' energy: -31.870
flat angles C4'-P-C4' energy: -36.611
flat angles P-C4'-P energy: -25.435
tors. eta vs tors. theta energy: -46.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -567.154564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.154564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.154564 (E_RNA)
where:
Base-Base interactions energy: -401.658
where: short stacking energy: -185.094
Base-Backbone interact. energy: 2.486
local terms energy: -167.982154
where:
bonds (distance) C4'-P energy: -31.188
bonds (distance) P-C4' energy: -32.739
flat angles C4'-P-C4' energy: -32.074
flat angles P-C4'-P energy: -22.114
tors. eta vs tors. theta energy: -49.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -536.847881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.847881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.847881 (E_RNA)
where:
Base-Base interactions energy: -379.069
where: short stacking energy: -152.680
Base-Backbone interact. energy: -1.394
local terms energy: -156.384811
where:
bonds (distance) C4'-P energy: -24.400
bonds (distance) P-C4' energy: -27.388
flat angles C4'-P-C4' energy: -33.620
flat angles P-C4'-P energy: -25.466
tors. eta vs tors. theta energy: -45.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -506.460476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.460476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.460476 (E_RNA)
where:
Base-Base interactions energy: -353.136
where: short stacking energy: -153.985
Base-Backbone interact. energy: -0.494
local terms energy: -152.830257
where:
bonds (distance) C4'-P energy: -32.651
bonds (distance) P-C4' energy: -27.862
flat angles C4'-P-C4' energy: -30.601
flat angles P-C4'-P energy: -14.380
tors. eta vs tors. theta energy: -47.336
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: 3
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -461.034020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.034020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.034020 (E_RNA)
where:
Base-Base interactions energy: -314.011
where: short stacking energy: -141.652
Base-Backbone interact. energy: 0.684
local terms energy: -147.706862
where:
bonds (distance) C4'-P energy: -33.433
bonds (distance) P-C4' energy: -28.240
flat angles C4'-P-C4' energy: -30.883
flat angles P-C4'-P energy: -21.510
tors. eta vs tors. theta energy: -33.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -481.654485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.654485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.654485 (E_RNA)
where:
Base-Base interactions energy: -346.357
where: short stacking energy: -154.949
Base-Backbone interact. energy: -0.359
local terms energy: -134.938324
where:
bonds (distance) C4'-P energy: -20.379
bonds (distance) P-C4' energy: -25.005
flat angles C4'-P-C4' energy: -28.518
flat angles P-C4'-P energy: -20.109
tors. eta vs tors. theta energy: -40.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -400.361532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.361532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.361532 (E_RNA)
where:
Base-Base interactions energy: -273.033
where: short stacking energy: -135.992
Base-Backbone interact. energy: 0.432
local terms energy: -127.759879
where:
bonds (distance) C4'-P energy: -24.620
bonds (distance) P-C4' energy: -23.898
flat angles C4'-P-C4' energy: -29.121
flat angles P-C4'-P energy: -18.066
tors. eta vs tors. theta energy: -32.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -300.214156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.214156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.214156 (E_RNA)
where:
Base-Base interactions energy: -190.753
where: short stacking energy: -89.716
Base-Backbone interact. energy: 0.117
local terms energy: -109.578347
where:
bonds (distance) C4'-P energy: -33.837
bonds (distance) P-C4' energy: -26.484
flat angles C4'-P-C4' energy: -20.844
flat angles P-C4'-P energy: -16.175
tors. eta vs tors. theta energy: -12.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -290.953821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.953821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.953821 (E_RNA)
where:
Base-Base interactions energy: -182.669
where: short stacking energy: -94.455
Base-Backbone interact. energy: 0.811
local terms energy: -109.095980
where:
bonds (distance) C4'-P energy: -20.505
bonds (distance) P-C4' energy: -21.614
flat angles C4'-P-C4' energy: -37.161
flat angles P-C4'-P energy: -14.019
tors. eta vs tors. theta energy: -15.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -582.468750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.468750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.468750 (E_RNA)
where:
Base-Base interactions energy: -426.427
where: short stacking energy: -178.114
Base-Backbone interact. energy: -0.399
local terms energy: -155.642771
where:
bonds (distance) C4'-P energy: -25.509
bonds (distance) P-C4' energy: -31.359
flat angles C4'-P-C4' energy: -30.554
flat angles P-C4'-P energy: -19.814
tors. eta vs tors. theta energy: -48.407
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: 2
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -568.591477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.591477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.591477 (E_RNA)
where:
Base-Base interactions energy: -393.611
where: short stacking energy: -167.872
Base-Backbone interact. energy: -0.048
local terms energy: -174.932429
where:
bonds (distance) C4'-P energy: -29.442
bonds (distance) P-C4' energy: -36.289
flat angles C4'-P-C4' energy: -36.351
flat angles P-C4'-P energy: -24.831
tors. eta vs tors. theta energy: -48.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -564.692867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.692867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.692867 (E_RNA)
where:
Base-Base interactions energy: -390.689
where: short stacking energy: -169.514
Base-Backbone interact. energy: -1.065
local terms energy: -172.939123
where:
bonds (distance) C4'-P energy: -34.126
bonds (distance) P-C4' energy: -33.819
flat angles C4'-P-C4' energy: -36.056
flat angles P-C4'-P energy: -18.648
tors. eta vs tors. theta energy: -50.290
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: 6
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -533.193467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.193467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.193467 (E_RNA)
where:
Base-Base interactions energy: -368.478
where: short stacking energy: -157.043
Base-Backbone interact. energy: -0.607
local terms energy: -164.109175
where:
bonds (distance) C4'-P energy: -32.399
bonds (distance) P-C4' energy: -28.526
flat angles C4'-P-C4' energy: -32.978
flat angles P-C4'-P energy: -27.174
tors. eta vs tors. theta energy: -43.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -514.590442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.590442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.590442 (E_RNA)
where:
Base-Base interactions energy: -346.843
where: short stacking energy: -162.876
Base-Backbone interact. energy: -0.249
local terms energy: -167.498675
where:
bonds (distance) C4'-P energy: -31.415
bonds (distance) P-C4' energy: -28.836
flat angles C4'-P-C4' energy: -36.468
flat angles P-C4'-P energy: -22.788
tors. eta vs tors. theta energy: -47.991
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: 78
Temperature: 1.150000
Total energy: -469.633514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.633514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.633514 (E_RNA)
where:
Base-Base interactions energy: -314.258
where: short stacking energy: -150.225
Base-Backbone interact. energy: -0.172
local terms energy: -155.203877
where:
bonds (distance) C4'-P energy: -29.841
bonds (distance) P-C4' energy: -29.400
flat angles C4'-P-C4' energy: -31.454
flat angles P-C4'-P energy: -25.037
tors. eta vs tors. theta energy: -39.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -496.671406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.671406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.671406 (E_RNA)
where:
Base-Base interactions energy: -346.958
where: short stacking energy: -160.875
Base-Backbone interact. energy: 0.041
local terms energy: -149.754621
where:
bonds (distance) C4'-P energy: -19.379
bonds (distance) P-C4' energy: -33.082
flat angles C4'-P-C4' energy: -33.492
flat angles P-C4'-P energy: -18.758
tors. eta vs tors. theta energy: -45.044
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: 10
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -380.047775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.047775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.047775 (E_RNA)
where:
Base-Base interactions energy: -256.735
where: short stacking energy: -135.709
Base-Backbone interact. energy: -0.257
local terms energy: -123.055132
where:
bonds (distance) C4'-P energy: -17.849
bonds (distance) P-C4' energy: -31.448
flat angles C4'-P-C4' energy: -29.572
flat angles P-C4'-P energy: -16.592
tors. eta vs tors. theta energy: -27.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -262.546479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.546479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.546479 (E_RNA)
where:
Base-Base interactions energy: -170.923
where: short stacking energy: -91.256
Base-Backbone interact. energy: 1.234
local terms energy: -92.857813
where:
bonds (distance) C4'-P energy: -22.862
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -25.587
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -11.771
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: 4
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -301.891618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.891618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.891618 (E_RNA)
where:
Base-Base interactions energy: -185.374
where: short stacking energy: -101.942
Base-Backbone interact. energy: -0.537
local terms energy: -115.979959
where:
bonds (distance) C4'-P energy: -18.313
bonds (distance) P-C4' energy: -27.902
flat angles C4'-P-C4' energy: -28.723
flat angles P-C4'-P energy: -15.746
tors. eta vs tors. theta energy: -25.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -573.059967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.059967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.059967 (E_RNA)
where:
Base-Base interactions energy: -402.222
where: short stacking energy: -169.511
Base-Backbone interact. energy: -0.198
local terms energy: -170.639914
where:
bonds (distance) C4'-P energy: -24.865
bonds (distance) P-C4' energy: -32.626
flat angles C4'-P-C4' energy: -36.801
flat angles P-C4'-P energy: -27.615
tors. eta vs tors. theta energy: -48.733
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: 8
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -574.995775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.995775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.995775 (E_RNA)
where:
Base-Base interactions energy: -397.299
where: short stacking energy: -177.354
Base-Backbone interact. energy: -0.883
local terms energy: -176.814103
where:
bonds (distance) C4'-P energy: -32.560
bonds (distance) P-C4' energy: -29.495
flat angles C4'-P-C4' energy: -34.275
flat angles P-C4'-P energy: -28.850
tors. eta vs tors. theta energy: -51.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -561.644284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.644284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.644284 (E_RNA)
where:
Base-Base interactions energy: -390.563
where: short stacking energy: -172.237
Base-Backbone interact. energy: -0.537
local terms energy: -170.544549
where:
bonds (distance) C4'-P energy: -31.170
bonds (distance) P-C4' energy: -32.444
flat angles C4'-P-C4' energy: -34.653
flat angles P-C4'-P energy: -24.117
tors. eta vs tors. theta energy: -48.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -547.450828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.450828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.450828 (E_RNA)
where:
Base-Base interactions energy: -392.638
where: short stacking energy: -147.512
Base-Backbone interact. energy: 1.559
local terms energy: -156.372062
where:
bonds (distance) C4'-P energy: -30.962
bonds (distance) P-C4' energy: -27.388
flat angles C4'-P-C4' energy: -32.600
flat angles P-C4'-P energy: -26.579
tors. eta vs tors. theta energy: -38.842
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: 1
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -502.934271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.934271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.934271 (E_RNA)
where:
Base-Base interactions energy: -352.005
where: short stacking energy: -162.590
Base-Backbone interact. energy: -1.461
local terms energy: -149.468096
where:
bonds (distance) C4'-P energy: -25.746
bonds (distance) P-C4' energy: -24.441
flat angles C4'-P-C4' energy: -33.988
flat angles P-C4'-P energy: -20.342
tors. eta vs tors. theta energy: -44.950
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: 5
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -510.517977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.517977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.517977 (E_RNA)
where:
Base-Base interactions energy: -344.777
where: short stacking energy: -149.901
Base-Backbone interact. energy: -0.242
local terms energy: -165.498253
where:
bonds (distance) C4'-P energy: -27.930
bonds (distance) P-C4' energy: -38.218
flat angles C4'-P-C4' energy: -36.880
flat angles P-C4'-P energy: -19.768
tors. eta vs tors. theta energy: -42.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -470.037249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.037249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.037249 (E_RNA)
where:
Base-Base interactions energy: -325.599
where: short stacking energy: -134.661
Base-Backbone interact. energy: -0.084
local terms energy: -144.354974
where:
bonds (distance) C4'-P energy: -30.959
bonds (distance) P-C4' energy: -27.797
flat angles C4'-P-C4' energy: -33.600
flat angles P-C4'-P energy: -16.959
tors. eta vs tors. theta energy: -35.041
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: 10
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -367.764341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.764341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.764341 (E_RNA)
where:
Base-Base interactions energy: -241.461
where: short stacking energy: -120.336
Base-Backbone interact. energy: -0.436
local terms energy: -125.867323
where:
bonds (distance) C4'-P energy: -25.970
bonds (distance) P-C4' energy: -21.221
flat angles C4'-P-C4' energy: -32.165
flat angles P-C4'-P energy: -14.340
tors. eta vs tors. theta energy: -32.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -282.102522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.102522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.102522 (E_RNA)
where:
Base-Base interactions energy: -178.174
where: short stacking energy: -107.432
Base-Backbone interact. energy: -0.605
local terms energy: -103.324012
where:
bonds (distance) C4'-P energy: -21.623
bonds (distance) P-C4' energy: -20.800
flat angles C4'-P-C4' energy: -26.603
flat angles P-C4'-P energy: -22.110
tors. eta vs tors. theta energy: -12.188
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: 10, replica: 4
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -307.192173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.192173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.192173 (E_RNA)
where:
Base-Base interactions energy: -188.161
where: short stacking energy: -95.823
Base-Backbone interact. energy: -0.383
local terms energy: -118.648196
where:
bonds (distance) C4'-P energy: -27.722
bonds (distance) P-C4' energy: -24.249
flat angles C4'-P-C4' energy: -28.113
flat angles P-C4'-P energy: -17.583
tors. eta vs tors. theta energy: -20.981
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: 80
Temperature: 0.900000
Total energy: -580.778927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.778927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.778927 (E_RNA)
where:
Base-Base interactions energy: -403.131
where: short stacking energy: -178.865
Base-Backbone interact. energy: -0.198
local terms energy: -177.450086
where:
bonds (distance) C4'-P energy: -36.050
bonds (distance) P-C4' energy: -27.273
flat angles C4'-P-C4' energy: -40.128
flat angles P-C4'-P energy: -23.709
tors. eta vs tors. theta energy: -50.290
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: 8
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -575.081663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.081663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.081663 (E_RNA)
where:
Base-Base interactions energy: -411.856
where: short stacking energy: -167.744
Base-Backbone interact. energy: -0.201
local terms energy: -163.024519
where:
bonds (distance) C4'-P energy: -34.863
bonds (distance) P-C4' energy: -32.334
flat angles C4'-P-C4' energy: -32.102
flat angles P-C4'-P energy: -19.120
tors. eta vs tors. theta energy: -44.605
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: 3, replica: 2
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -559.991687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.991687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.991687 (E_RNA)
where:
Base-Base interactions energy: -382.938
where: short stacking energy: -168.741
Base-Backbone interact. energy: -0.011
local terms energy: -177.042207
where:
bonds (distance) C4'-P energy: -35.389
bonds (distance) P-C4' energy: -30.466
flat angles C4'-P-C4' energy: -33.738
flat angles P-C4'-P energy: -28.990
tors. eta vs tors. theta energy: -48.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -537.890349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.890349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.890349 (E_RNA)
where:
Base-Base interactions energy: -375.114
where: short stacking energy: -149.042
Base-Backbone interact. energy: -0.972
local terms energy: -161.803978
where:
bonds (distance) C4'-P energy: -33.928
bonds (distance) P-C4' energy: -27.046
flat angles C4'-P-C4' energy: -35.483
flat angles P-C4'-P energy: -24.773
tors. eta vs tors. theta energy: -40.574
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: 5, replica: 5
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -534.991860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.991860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.991860 (E_RNA)
where:
Base-Base interactions energy: -370.565
where: short stacking energy: -160.288
Base-Backbone interact. energy: -0.364
local terms energy: -164.062452
where:
bonds (distance) C4'-P energy: -25.771
bonds (distance) P-C4' energy: -28.491
flat angles C4'-P-C4' energy: -36.292
flat angles P-C4'-P energy: -24.439
tors. eta vs tors. theta energy: -49.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -500.421403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.421403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.421403 (E_RNA)
where:
Base-Base interactions energy: -342.816
where: short stacking energy: -167.404
Base-Backbone interact. energy: 0.134
local terms energy: -157.738499
where:
bonds (distance) C4'-P energy: -31.560
bonds (distance) P-C4' energy: -29.453
flat angles C4'-P-C4' energy: -29.136
flat angles P-C4'-P energy: -19.278
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: 7, replica: 3
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -427.605570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.605570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.605570 (E_RNA)
where:
Base-Base interactions energy: -286.554
where: short stacking energy: -135.067
Base-Backbone interact. energy: -0.967
local terms energy: -140.084760
where:
bonds (distance) C4'-P energy: -27.469
bonds (distance) P-C4' energy: -26.589
flat angles C4'-P-C4' energy: -31.047
flat angles P-C4'-P energy: -24.310
tors. eta vs tors. theta energy: -30.669
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: 10
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -397.690541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.690541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.690541 (E_RNA)
where:
Base-Base interactions energy: -255.391
where: short stacking energy: -123.620
Base-Backbone interact. energy: -0.601
local terms energy: -141.698656
where:
bonds (distance) C4'-P energy: -27.075
bonds (distance) P-C4' energy: -34.240
flat angles C4'-P-C4' energy: -31.730
flat angles P-C4'-P energy: -19.103
tors. eta vs tors. theta energy: -29.551
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: 4
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -320.317122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.317122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.317122 (E_RNA)
where:
Base-Base interactions energy: -209.733
where: short stacking energy: -95.336
Base-Backbone interact. energy: -1.416
local terms energy: -109.168304
where:
bonds (distance) C4'-P energy: -23.975
bonds (distance) P-C4' energy: -26.834
flat angles C4'-P-C4' energy: -28.742
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -17.348
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: 80
Temperature: 1.350000
Total energy: -280.082445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.082445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.082445 (E_RNA)
where:
Base-Base interactions energy: -157.315
where: short stacking energy: -72.045
Base-Backbone interact. energy: -0.336
local terms energy: -122.431149
where:
bonds (distance) C4'-P energy: -27.700
bonds (distance) P-C4' energy: -30.211
flat angles C4'-P-C4' energy: -28.507
flat angles P-C4'-P energy: -19.908
tors. eta vs tors. theta energy: -16.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -586.968989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.968989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.968989 (E_RNA)
where:
Base-Base interactions energy: -412.655
where: short stacking energy: -173.114
Base-Backbone interact. energy: -0.966
local terms energy: -173.347571
where:
bonds (distance) C4'-P energy: -30.657
bonds (distance) P-C4' energy: -34.957
flat angles C4'-P-C4' energy: -33.189
flat angles P-C4'-P energy: -24.066
tors. eta vs tors. theta energy: -50.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -570.100219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.100219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.100219 (E_RNA)
where:
Base-Base interactions energy: -393.994
where: short stacking energy: -163.651
Base-Backbone interact. energy: 0.703
local terms energy: -176.809193
where:
bonds (distance) C4'-P energy: -31.821
bonds (distance) P-C4' energy: -33.143
flat angles C4'-P-C4' energy: -35.531
flat angles P-C4'-P energy: -28.130
tors. eta vs tors. theta energy: -48.185
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: 2
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -546.437415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.437415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.437415 (E_RNA)
where:
Base-Base interactions energy: -378.389
where: short stacking energy: -170.097
Base-Backbone interact. energy: -0.976
local terms energy: -167.072481
where:
bonds (distance) C4'-P energy: -30.943
bonds (distance) P-C4' energy: -34.076
flat angles C4'-P-C4' energy: -31.383
flat angles P-C4'-P energy: -24.754
tors. eta vs tors. theta energy: -45.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -512.044130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.044130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.044130 (E_RNA)
where:
Base-Base interactions energy: -349.583
where: short stacking energy: -164.835
Base-Backbone interact. energy: -0.499
local terms energy: -161.962050
where:
bonds (distance) C4'-P energy: -34.544
bonds (distance) P-C4' energy: -25.620
flat angles C4'-P-C4' energy: -32.134
flat angles P-C4'-P energy: -23.614
tors. eta vs tors. theta energy: -46.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -525.507558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.507558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.507558 (E_RNA)
where:
Base-Base interactions energy: -374.001
where: short stacking energy: -150.081
Base-Backbone interact. energy: -0.491
local terms energy: -151.015513
where:
bonds (distance) C4'-P energy: -27.380
bonds (distance) P-C4' energy: -36.021
flat angles C4'-P-C4' energy: -25.379
flat angles P-C4'-P energy: -17.139
tors. eta vs tors. theta energy: -45.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -486.419805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.419805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.419805 (E_RNA)
where:
Base-Base interactions energy: -335.380
where: short stacking energy: -153.469
Base-Backbone interact. energy: -0.364
local terms energy: -150.676027
where:
bonds (distance) C4'-P energy: -30.227
bonds (distance) P-C4' energy: -28.990
flat angles C4'-P-C4' energy: -30.264
flat angles P-C4'-P energy: -23.344
tors. eta vs tors. theta energy: -37.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -430.450278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.450278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.450278 (E_RNA)
where:
Base-Base interactions energy: -290.725
where: short stacking energy: -136.824
Base-Backbone interact. energy: 0.187
local terms energy: -139.912370
where:
bonds (distance) C4'-P energy: -21.755
bonds (distance) P-C4' energy: -30.089
flat angles C4'-P-C4' energy: -33.502
flat angles P-C4'-P energy: -27.008
tors. eta vs tors. theta energy: -27.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -381.060865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.060865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.060865 (E_RNA)
where:
Base-Base interactions energy: -227.752
where: short stacking energy: -109.576
Base-Backbone interact. energy: 1.643
local terms energy: -154.950978
where:
bonds (distance) C4'-P energy: -36.762
bonds (distance) P-C4' energy: -33.201
flat angles C4'-P-C4' energy: -32.085
flat angles P-C4'-P energy: -23.341
tors. eta vs tors. theta energy: -29.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -328.232535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.232535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.232535 (E_RNA)
where:
Base-Base interactions energy: -224.084
where: short stacking energy: -103.042
Base-Backbone interact. energy: -0.456
local terms energy: -103.691984
where:
bonds (distance) C4'-P energy: -27.055
bonds (distance) P-C4' energy: -29.795
flat angles C4'-P-C4' energy: -11.673
flat angles P-C4'-P energy: -15.059
tors. eta vs tors. theta energy: -20.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -296.703428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.703428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.703428 (E_RNA)
where:
Base-Base interactions energy: -186.539
where: short stacking energy: -93.244
Base-Backbone interact. energy: -0.361
local terms energy: -109.803450
where:
bonds (distance) C4'-P energy: -24.292
bonds (distance) P-C4' energy: -26.084
flat angles C4'-P-C4' energy: -30.275
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -16.524
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: 8
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -582.177140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.177140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.177140 (E_RNA)
where:
Base-Base interactions energy: -410.454
where: short stacking energy: -175.377
Base-Backbone interact. energy: -0.024
local terms energy: -171.699310
where:
bonds (distance) C4'-P energy: -28.272
bonds (distance) P-C4' energy: -32.574
flat angles C4'-P-C4' energy: -36.160
flat angles P-C4'-P energy: -22.454
tors. eta vs tors. theta energy: -52.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -581.858743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.858743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.858743 (E_RNA)
where:
Base-Base interactions energy: -409.323
where: short stacking energy: -181.254
Base-Backbone interact. energy: -1.315
local terms energy: -171.220333
where:
bonds (distance) C4'-P energy: -29.987
bonds (distance) P-C4' energy: -31.235
flat angles C4'-P-C4' energy: -39.346
flat angles P-C4'-P energy: -20.222
tors. eta vs tors. theta energy: -50.430
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: 5
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -529.882527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.882527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.882527 (E_RNA)
where:
Base-Base interactions energy: -370.179
where: short stacking energy: -171.318
Base-Backbone interact. energy: 0.894
local terms energy: -160.597603
where:
bonds (distance) C4'-P energy: -22.120
bonds (distance) P-C4' energy: -32.199
flat angles C4'-P-C4' energy: -36.622
flat angles P-C4'-P energy: -24.289
tors. eta vs tors. theta energy: -45.367
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: 4, replica: 2
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -543.957625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.957625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.957625 (E_RNA)
where:
Base-Base interactions energy: -377.563
where: short stacking energy: -167.215
Base-Backbone interact. energy: -0.722
local terms energy: -165.672509
where:
bonds (distance) C4'-P energy: -27.637
bonds (distance) P-C4' energy: -30.687
flat angles C4'-P-C4' energy: -36.258
flat angles P-C4'-P energy: -28.121
tors. eta vs tors. theta energy: -42.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -486.097932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.097932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.097932 (E_RNA)
where:
Base-Base interactions energy: -334.724
where: short stacking energy: -150.913
Base-Backbone interact. energy: -0.905
local terms energy: -150.469238
where:
bonds (distance) C4'-P energy: -30.400
bonds (distance) P-C4' energy: -33.770
flat angles C4'-P-C4' energy: -28.586
flat angles P-C4'-P energy: -15.161
tors. eta vs tors. theta energy: -42.552
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: 6
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -507.112437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.112437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.112437 (E_RNA)
where:
Base-Base interactions energy: -357.032
where: short stacking energy: -146.688
Base-Backbone interact. energy: 0.003
local terms energy: -150.083230
where:
bonds (distance) C4'-P energy: -30.169
bonds (distance) P-C4' energy: -24.334
flat angles C4'-P-C4' energy: -32.677
flat angles P-C4'-P energy: -23.372
tors. eta vs tors. theta energy: -39.532
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: 3
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -435.520774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.520774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.520774 (E_RNA)
where:
Base-Base interactions energy: -309.906
where: short stacking energy: -130.809
Base-Backbone interact. energy: -0.882
local terms energy: -124.732440
where:
bonds (distance) C4'-P energy: -28.896
bonds (distance) P-C4' energy: -27.156
flat angles C4'-P-C4' energy: -27.711
flat angles P-C4'-P energy: -14.642
tors. eta vs tors. theta energy: -26.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -394.069604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.069604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.069604 (E_RNA)
where:
Base-Base interactions energy: -273.693
where: short stacking energy: -110.585
Base-Backbone interact. energy: -0.854
local terms energy: -119.522821
where:
bonds (distance) C4'-P energy: -23.012
bonds (distance) P-C4' energy: -26.476
flat angles C4'-P-C4' energy: -29.214
flat angles P-C4'-P energy: -20.180
tors. eta vs tors. theta energy: -20.640
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: 82
Temperature: 1.300000
Total energy: -288.981714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.981714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.981714 (E_RNA)
where:
Base-Base interactions energy: -177.927
where: short stacking energy: -75.271
Base-Backbone interact. energy: -0.907
local terms energy: -110.147118
where:
bonds (distance) C4'-P energy: -19.607
bonds (distance) P-C4' energy: -28.060
flat angles C4'-P-C4' energy: -31.173
flat angles P-C4'-P energy: -19.662
tors. eta vs tors. theta energy: -11.645
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: 10, replica: 4
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -304.309431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.309431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.309431 (E_RNA)
where:
Base-Base interactions energy: -186.685
where: short stacking energy: -97.659
Base-Backbone interact. energy: -1.198
local terms energy: -116.426732
where:
bonds (distance) C4'-P energy: -32.520
bonds (distance) P-C4' energy: -24.031
flat angles C4'-P-C4' energy: -17.873
flat angles P-C4'-P energy: -16.798
tors. eta vs tors. theta energy: -25.206
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: 8
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -585.962282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.962282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.962282 (E_RNA)
where:
Base-Base interactions energy: -408.372
where: short stacking energy: -176.649
Base-Backbone interact. energy: -1.293
local terms energy: -176.296732
where:
bonds (distance) C4'-P energy: -29.877
bonds (distance) P-C4' energy: -34.285
flat angles C4'-P-C4' energy: -36.633
flat angles P-C4'-P energy: -26.737
tors. eta vs tors. theta energy: -48.765
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: 5
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -556.372846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.372846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.372846 (E_RNA)
where:
Base-Base interactions energy: -383.075
where: short stacking energy: -166.600
Base-Backbone interact. energy: -0.060
local terms energy: -173.237652
where:
bonds (distance) C4'-P energy: -36.806
bonds (distance) P-C4' energy: -31.001
flat angles C4'-P-C4' energy: -34.813
flat angles P-C4'-P energy: -22.957
tors. eta vs tors. theta energy: -47.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -555.543116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.543116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.543116 (E_RNA)
where:
Base-Base interactions energy: -390.036
where: short stacking energy: -165.952
Base-Backbone interact. energy: -0.048
local terms energy: -165.459127
where:
bonds (distance) C4'-P energy: -32.048
bonds (distance) P-C4' energy: -29.122
flat angles C4'-P-C4' energy: -31.791
flat angles P-C4'-P energy: -24.803
tors. eta vs tors. theta energy: -47.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -535.158866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.158866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.158866 (E_RNA)
where:
Base-Base interactions energy: -374.174
where: short stacking energy: -170.989
Base-Backbone interact. energy: -0.287
local terms energy: -160.698222
where:
bonds (distance) C4'-P energy: -26.327
bonds (distance) P-C4' energy: -33.186
flat angles C4'-P-C4' energy: -32.536
flat angles P-C4'-P energy: -22.886
tors. eta vs tors. theta energy: -45.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -495.160004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.160004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.160004 (E_RNA)
where:
Base-Base interactions energy: -341.653
where: short stacking energy: -142.973
Base-Backbone interact. energy: -0.934
local terms energy: -152.573072
where:
bonds (distance) C4'-P energy: -24.405
bonds (distance) P-C4' energy: -28.074
flat angles C4'-P-C4' energy: -38.577
flat angles P-C4'-P energy: -18.206
tors. eta vs tors. theta energy: -43.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -485.404472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.404472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.404472 (E_RNA)
where:
Base-Base interactions energy: -344.509
where: short stacking energy: -143.764
Base-Backbone interact. energy: -0.170
local terms energy: -140.725847
where:
bonds (distance) C4'-P energy: -25.693
bonds (distance) P-C4' energy: -31.569
flat angles C4'-P-C4' energy: -28.766
flat angles P-C4'-P energy: -20.371
tors. eta vs tors. theta energy: -34.327
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: 3
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -476.739452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.739452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.739452 (E_RNA)
where:
Base-Base interactions energy: -328.737
where: short stacking energy: -144.152
Base-Backbone interact. energy: -0.185
local terms energy: -147.817913
where:
bonds (distance) C4'-P energy: -31.658
bonds (distance) P-C4' energy: -37.415
flat angles C4'-P-C4' energy: -28.066
flat angles P-C4'-P energy: -14.421
tors. eta vs tors. theta energy: -36.258
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: 10
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -402.618433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.618433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.618433 (E_RNA)
where:
Base-Base interactions energy: -279.461
where: short stacking energy: -115.854
Base-Backbone interact. energy: 0.750
local terms energy: -123.907282
where:
bonds (distance) C4'-P energy: -29.579
bonds (distance) P-C4' energy: -25.672
flat angles C4'-P-C4' energy: -22.913
flat angles P-C4'-P energy: -18.740
tors. eta vs tors. theta energy: -27.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -313.765916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.765916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.765916 (E_RNA)
where:
Base-Base interactions energy: -187.188
where: short stacking energy: -83.014
Base-Backbone interact. energy: -0.110
local terms energy: -126.467342
where:
bonds (distance) C4'-P energy: -31.029
bonds (distance) P-C4' energy: -32.983
flat angles C4'-P-C4' energy: -27.451
flat angles P-C4'-P energy: -15.828
tors. eta vs tors. theta energy: -19.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -292.246791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.246791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.246791 (E_RNA)
where:
Base-Base interactions energy: -182.064
where: short stacking energy: -91.188
Base-Backbone interact. energy: 0.346
local terms energy: -110.529168
where:
bonds (distance) C4'-P energy: -24.250
bonds (distance) P-C4' energy: -18.180
flat angles C4'-P-C4' energy: -24.743
flat angles P-C4'-P energy: -13.799
tors. eta vs tors. theta energy: -29.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -573.195845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.195845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.195845 (E_RNA)
where:
Base-Base interactions energy: -402.642
where: short stacking energy: -171.968
Base-Backbone interact. energy: 0.704
local terms energy: -171.257397
where:
bonds (distance) C4'-P energy: -36.069
bonds (distance) P-C4' energy: -28.122
flat angles C4'-P-C4' energy: -33.072
flat angles P-C4'-P energy: -27.186
tors. eta vs tors. theta energy: -46.809
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: 2, replica: 5
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -548.821452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.821452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.821452 (E_RNA)
where:
Base-Base interactions energy: -379.084
where: short stacking energy: -175.752
Base-Backbone interact. energy: -1.557
local terms energy: -168.180891
where:
bonds (distance) C4'-P energy: -31.799
bonds (distance) P-C4' energy: -29.647
flat angles C4'-P-C4' energy: -40.610
flat angles P-C4'-P energy: -23.906
tors. eta vs tors. theta energy: -42.219
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: 7
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -569.262560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.262560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.262560 (E_RNA)
where:
Base-Base interactions energy: -399.754
where: short stacking energy: -171.732
Base-Backbone interact. energy: -0.852
local terms energy: -168.655751
where:
bonds (distance) C4'-P energy: -31.102
bonds (distance) P-C4' energy: -29.842
flat angles C4'-P-C4' energy: -30.215
flat angles P-C4'-P energy: -25.442
tors. eta vs tors. theta energy: -52.054
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: 4, replica: 2
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -547.092757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.092757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.092757 (E_RNA)
where:
Base-Base interactions energy: -382.459
where: short stacking energy: -171.878
Base-Backbone interact. energy: -0.155
local terms energy: -164.478585
where:
bonds (distance) C4'-P energy: -29.453
bonds (distance) P-C4' energy: -32.213
flat angles C4'-P-C4' energy: -34.552
flat angles P-C4'-P energy: -23.863
tors. eta vs tors. theta energy: -44.399
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: 1
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -494.421009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.421009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.421009 (E_RNA)
where:
Base-Base interactions energy: -331.174
where: short stacking energy: -141.429
Base-Backbone interact. energy: -0.701
local terms energy: -162.546120
where:
bonds (distance) C4'-P energy: -30.580
bonds (distance) P-C4' energy: -33.687
flat angles C4'-P-C4' energy: -38.995
flat angles P-C4'-P energy: -22.134
tors. eta vs tors. theta energy: -37.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -500.842859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.842859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.842859 (E_RNA)
where:
Base-Base interactions energy: -352.895
where: short stacking energy: -147.511
Base-Backbone interact. energy: 2.977
local terms energy: -150.925122
where:
bonds (distance) C4'-P energy: -22.671
bonds (distance) P-C4' energy: -28.333
flat angles C4'-P-C4' energy: -35.186
flat angles P-C4'-P energy: -18.167
tors. eta vs tors. theta energy: -46.567
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: 7, replica: 10
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -430.427596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.427596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.427596 (E_RNA)
where:
Base-Base interactions energy: -293.174
where: short stacking energy: -135.084
Base-Backbone interact. energy: -0.828
local terms energy: -136.425911
where:
bonds (distance) C4'-P energy: -21.214
bonds (distance) P-C4' energy: -27.448
flat angles C4'-P-C4' energy: -32.974
flat angles P-C4'-P energy: -23.384
tors. eta vs tors. theta energy: -31.406
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: 3
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -429.080483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.080483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.080483 (E_RNA)
where:
Base-Base interactions energy: -293.064
where: short stacking energy: -125.924
Base-Backbone interact. energy: -0.684
local terms energy: -135.332564
where:
bonds (distance) C4'-P energy: -29.010
bonds (distance) P-C4' energy: -30.888
flat angles C4'-P-C4' energy: -32.345
flat angles P-C4'-P energy: -13.433
tors. eta vs tors. theta energy: -29.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -345.876031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.876031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.876031 (E_RNA)
where:
Base-Base interactions energy: -227.855
where: short stacking energy: -102.594
Base-Backbone interact. energy: 4.397
local terms energy: -122.417754
where:
bonds (distance) C4'-P energy: -37.882
bonds (distance) P-C4' energy: -14.183
flat angles C4'-P-C4' energy: -31.767
flat angles P-C4'-P energy: -15.482
tors. eta vs tors. theta energy: -23.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -304.652264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.652264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.652264 (E_RNA)
where:
Base-Base interactions energy: -200.241
where: short stacking energy: -96.047
Base-Backbone interact. energy: 1.915
local terms energy: -106.325662
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -19.716
flat angles C4'-P-C4' energy: -29.413
flat angles P-C4'-P energy: -17.216
tors. eta vs tors. theta energy: -21.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -572.495459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.495459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.495459 (E_RNA)
where:
Base-Base interactions energy: -404.509
where: short stacking energy: -175.030
Base-Backbone interact. energy: 2.238
local terms energy: -170.224440
where:
bonds (distance) C4'-P energy: -27.224
bonds (distance) P-C4' energy: -31.997
flat angles C4'-P-C4' energy: -35.663
flat angles P-C4'-P energy: -23.409
tors. eta vs tors. theta energy: -51.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -549.226244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.226244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.226244 (E_RNA)
where:
Base-Base interactions energy: -382.238
where: short stacking energy: -165.671
Base-Backbone interact. energy: -1.096
local terms energy: -165.892444
where:
bonds (distance) C4'-P energy: -30.952
bonds (distance) P-C4' energy: -32.095
flat angles C4'-P-C4' energy: -27.713
flat angles P-C4'-P energy: -29.868
tors. eta vs tors. theta energy: -45.264
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: 3, replica: 5
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -538.759225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.759225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.759225 (E_RNA)
where:
Base-Base interactions energy: -370.737
where: short stacking energy: -161.405
Base-Backbone interact. energy: 0.267
local terms energy: -168.289015
where:
bonds (distance) C4'-P energy: -27.000
bonds (distance) P-C4' energy: -36.366
flat angles C4'-P-C4' energy: -31.211
flat angles P-C4'-P energy: -29.344
tors. eta vs tors. theta energy: -44.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -552.376583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.376583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.376583 (E_RNA)
where:
Base-Base interactions energy: -386.384
where: short stacking energy: -163.733
Base-Backbone interact. energy: 0.406
local terms energy: -166.398407
where:
bonds (distance) C4'-P energy: -27.904
bonds (distance) P-C4' energy: -35.183
flat angles C4'-P-C4' energy: -29.580
flat angles P-C4'-P energy: -26.415
tors. eta vs tors. theta energy: -47.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -485.655137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.655137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.655137 (E_RNA)
where:
Base-Base interactions energy: -326.733
where: short stacking energy: -153.948
Base-Backbone interact. energy: -0.241
local terms energy: -158.680469
where:
bonds (distance) C4'-P energy: -30.908
bonds (distance) P-C4' energy: -29.608
flat angles C4'-P-C4' energy: -31.199
flat angles P-C4'-P energy: -26.520
tors. eta vs tors. theta energy: -40.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -493.205632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.205632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.205632 (E_RNA)
where:
Base-Base interactions energy: -345.821
where: short stacking energy: -148.478
Base-Backbone interact. energy: -1.490
local terms energy: -145.895114
where:
bonds (distance) C4'-P energy: -28.114
bonds (distance) P-C4' energy: -22.964
flat angles C4'-P-C4' energy: -32.231
flat angles P-C4'-P energy: -19.105
tors. eta vs tors. theta energy: -43.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -437.768199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.768199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.768199 (E_RNA)
where:
Base-Base interactions energy: -304.852
where: short stacking energy: -139.333
Base-Backbone interact. energy: -0.306
local terms energy: -132.610136
where:
bonds (distance) C4'-P energy: -31.608
bonds (distance) P-C4' energy: -19.662
flat angles C4'-P-C4' energy: -28.764
flat angles P-C4'-P energy: -19.224
tors. eta vs tors. theta energy: -33.351
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: 3
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -412.876495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.876495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.876495 (E_RNA)
where:
Base-Base interactions energy: -289.460
where: short stacking energy: -118.529
Base-Backbone interact. energy: -0.843
local terms energy: -122.573313
where:
bonds (distance) C4'-P energy: -28.806
bonds (distance) P-C4' energy: -19.773
flat angles C4'-P-C4' energy: -24.360
flat angles P-C4'-P energy: -22.031
tors. eta vs tors. theta energy: -27.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -326.831327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.831327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.831327 (E_RNA)
where:
Base-Base interactions energy: -213.178
where: short stacking energy: -90.690
Base-Backbone interact. energy: -0.395
local terms energy: -113.258386
where:
bonds (distance) C4'-P energy: -19.786
bonds (distance) P-C4' energy: -23.304
flat angles C4'-P-C4' energy: -33.358
flat angles P-C4'-P energy: -18.287
tors. eta vs tors. theta energy: -18.524
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: 4
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -294.337942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.337942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.337942 (E_RNA)
where:
Base-Base interactions energy: -181.694
where: short stacking energy: -89.049
Base-Backbone interact. energy: 1.293
local terms energy: -113.937204
where:
bonds (distance) C4'-P energy: -30.480
bonds (distance) P-C4' energy: -21.203
flat angles C4'-P-C4' energy: -22.693
flat angles P-C4'-P energy: -20.755
tors. eta vs tors. theta energy: -18.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -591.135868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.135868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.135868 (E_RNA)
where:
Base-Base interactions energy: -413.936
where: short stacking energy: -179.869
Base-Backbone interact. energy: -0.780
local terms energy: -176.420157
where:
bonds (distance) C4'-P energy: -31.258
bonds (distance) P-C4' energy: -32.061
flat angles C4'-P-C4' energy: -37.935
flat angles P-C4'-P energy: -22.975
tors. eta vs tors. theta energy: -52.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -569.749658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.749658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.749658 (E_RNA)
where:
Base-Base interactions energy: -398.326
where: short stacking energy: -174.520
Base-Backbone interact. energy: -0.231
local terms energy: -171.192324
where:
bonds (distance) C4'-P energy: -28.476
bonds (distance) P-C4' energy: -35.026
flat angles C4'-P-C4' energy: -33.571
flat angles P-C4'-P energy: -24.902
tors. eta vs tors. theta energy: -49.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -552.040952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.040952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.040952 (E_RNA)
where:
Base-Base interactions energy: -384.674
where: short stacking energy: -159.626
Base-Backbone interact. energy: -0.296
local terms energy: -167.071407
where:
bonds (distance) C4'-P energy: -29.726
bonds (distance) P-C4' energy: -33.826
flat angles C4'-P-C4' energy: -36.957
flat angles P-C4'-P energy: -23.345
tors. eta vs tors. theta energy: -43.218
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: 86
Temperature: 1.050000
Total energy: -534.074407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.074407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.074407 (E_RNA)
where:
Base-Base interactions energy: -366.160
where: short stacking energy: -171.263
Base-Backbone interact. energy: -0.573
local terms energy: -167.341892
where:
bonds (distance) C4'-P energy: -34.456
bonds (distance) P-C4' energy: -27.669
flat angles C4'-P-C4' energy: -33.686
flat angles P-C4'-P energy: -25.351
tors. eta vs tors. theta energy: -46.180
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: 1
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -495.263211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.263211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.263211 (E_RNA)
where:
Base-Base interactions energy: -340.784
where: short stacking energy: -148.435
Base-Backbone interact. energy: -1.162
local terms energy: -153.316961
where:
bonds (distance) C4'-P energy: -35.986
bonds (distance) P-C4' energy: -20.433
flat angles C4'-P-C4' energy: -37.758
flat angles P-C4'-P energy: -21.158
tors. eta vs tors. theta energy: -37.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -487.089994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.089994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.089994 (E_RNA)
where:
Base-Base interactions energy: -338.870
where: short stacking energy: -146.139
Base-Backbone interact. energy: 1.295
local terms energy: -149.515012
where:
bonds (distance) C4'-P energy: -27.431
bonds (distance) P-C4' energy: -28.466
flat angles C4'-P-C4' energy: -30.446
flat angles P-C4'-P energy: -18.254
tors. eta vs tors. theta energy: -44.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -464.311913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.311913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.311913 (E_RNA)
where:
Base-Base interactions energy: -331.050
where: short stacking energy: -124.994
Base-Backbone interact. energy: -0.549
local terms energy: -132.713252
where:
bonds (distance) C4'-P energy: -24.116
bonds (distance) P-C4' energy: -21.500
flat angles C4'-P-C4' energy: -28.705
flat angles P-C4'-P energy: -24.081
tors. eta vs tors. theta energy: -34.311
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: 3
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -413.227075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.227075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.227075 (E_RNA)
where:
Base-Base interactions energy: -288.720
where: short stacking energy: -116.666
Base-Backbone interact. energy: -0.737
local terms energy: -123.770797
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -30.369
flat angles C4'-P-C4' energy: -31.939
flat angles P-C4'-P energy: -22.100
tors. eta vs tors. theta energy: -23.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -293.971048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.971048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.971048 (E_RNA)
where:
Base-Base interactions energy: -181.707
where: short stacking energy: -90.167
Base-Backbone interact. energy: -0.473
local terms energy: -111.790624
where:
bonds (distance) C4'-P energy: -29.374
bonds (distance) P-C4' energy: -25.109
flat angles C4'-P-C4' energy: -27.578
flat angles P-C4'-P energy: -15.819
tors. eta vs tors. theta energy: -13.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -291.708116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.708116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.708116 (E_RNA)
where:
Base-Base interactions energy: -179.107
where: short stacking energy: -84.712
Base-Backbone interact. energy: -0.656
local terms energy: -111.945044
where:
bonds (distance) C4'-P energy: -28.720
bonds (distance) P-C4' energy: -21.619
flat angles C4'-P-C4' energy: -28.911
flat angles P-C4'-P energy: -23.320
tors. eta vs tors. theta energy: -9.375
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: 87
Temperature: 0.900000
Total energy: -583.247919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.247919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.247919 (E_RNA)
where:
Base-Base interactions energy: -411.564
where: short stacking energy: -169.812
Base-Backbone interact. energy: -0.965
local terms energy: -170.719264
where:
bonds (distance) C4'-P energy: -32.712
bonds (distance) P-C4' energy: -34.319
flat angles C4'-P-C4' energy: -32.375
flat angles P-C4'-P energy: -20.709
tors. eta vs tors. theta energy: -50.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -579.107110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.107110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.107110 (E_RNA)
where:
Base-Base interactions energy: -409.225
where: short stacking energy: -180.896
Base-Backbone interact. energy: 0.719
local terms energy: -170.601330
where:
bonds (distance) C4'-P energy: -31.394
bonds (distance) P-C4' energy: -32.227
flat angles C4'-P-C4' energy: -34.053
flat angles P-C4'-P energy: -25.907
tors. eta vs tors. theta energy: -47.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -566.687416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.687416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.687416 (E_RNA)
where:
Base-Base interactions energy: -399.937
where: short stacking energy: -165.735
Base-Backbone interact. energy: -1.610
local terms energy: -165.140839
where:
bonds (distance) C4'-P energy: -26.042
bonds (distance) P-C4' energy: -31.273
flat angles C4'-P-C4' energy: -31.960
flat angles P-C4'-P energy: -23.989
tors. eta vs tors. theta energy: -51.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -519.622525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.622525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.622525 (E_RNA)
where:
Base-Base interactions energy: -360.255
where: short stacking energy: -164.956
Base-Backbone interact. energy: -1.018
local terms energy: -158.349743
where:
bonds (distance) C4'-P energy: -25.098
bonds (distance) P-C4' energy: -28.593
flat angles C4'-P-C4' energy: -35.599
flat angles P-C4'-P energy: -23.899
tors. eta vs tors. theta energy: -45.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -499.069676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.069676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.069676 (E_RNA)
where:
Base-Base interactions energy: -355.186
where: short stacking energy: -140.808
Base-Backbone interact. energy: -0.310
local terms energy: -143.573357
where:
bonds (distance) C4'-P energy: -27.492
bonds (distance) P-C4' energy: -29.047
flat angles C4'-P-C4' energy: -34.639
flat angles P-C4'-P energy: -19.260
tors. eta vs tors. theta energy: -33.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -474.737450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.737450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.737450 (E_RNA)
where:
Base-Base interactions energy: -333.556
where: short stacking energy: -134.020
Base-Backbone interact. energy: -0.987
local terms energy: -140.193787
where:
bonds (distance) C4'-P energy: -26.351
bonds (distance) P-C4' energy: -28.955
flat angles C4'-P-C4' energy: -30.072
flat angles P-C4'-P energy: -19.793
tors. eta vs tors. theta energy: -35.023
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: 7, replica: 6
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -472.127585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.127585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.127585 (E_RNA)
where:
Base-Base interactions energy: -332.386
where: short stacking energy: -139.779
Base-Backbone interact. energy: -0.603
local terms energy: -139.139028
where:
bonds (distance) C4'-P energy: -18.413
bonds (distance) P-C4' energy: -34.034
flat angles C4'-P-C4' energy: -28.430
flat angles P-C4'-P energy: -25.266
tors. eta vs tors. theta energy: -32.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -396.073088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.073088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.073088 (E_RNA)
where:
Base-Base interactions energy: -251.448
where: short stacking energy: -123.847
Base-Backbone interact. energy: -0.223
local terms energy: -144.401992
where:
bonds (distance) C4'-P energy: -32.618
bonds (distance) P-C4' energy: -29.641
flat angles C4'-P-C4' energy: -27.513
flat angles P-C4'-P energy: -21.481
tors. eta vs tors. theta energy: -33.149
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: 9, replica: 4
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -377.689808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.689808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.689808 (E_RNA)
where:
Base-Base interactions energy: -252.334
where: short stacking energy: -107.368
Base-Backbone interact. energy: 0.223
local terms energy: -125.577977
where:
bonds (distance) C4'-P energy: -24.117
bonds (distance) P-C4' energy: -28.872
flat angles C4'-P-C4' energy: -27.033
flat angles P-C4'-P energy: -24.895
tors. eta vs tors. theta energy: -20.662
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: 87
Temperature: 1.350000
Total energy: -309.360949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.360949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.360949 (E_RNA)
where:
Base-Base interactions energy: -191.119
where: short stacking energy: -98.839
Base-Backbone interact. energy: -0.726
local terms energy: -117.515351
where:
bonds (distance) C4'-P energy: -23.611
bonds (distance) P-C4' energy: -28.559
flat angles C4'-P-C4' energy: -28.604
flat angles P-C4'-P energy: -15.612
tors. eta vs tors. theta energy: -21.129
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: 1, replica: 7
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -589.219508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.219508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.219508 (E_RNA)
where:
Base-Base interactions energy: -410.651
where: short stacking energy: -164.601
Base-Backbone interact. energy: -0.773
local terms energy: -177.795673
where:
bonds (distance) C4'-P energy: -37.626
bonds (distance) P-C4' energy: -34.754
flat angles C4'-P-C4' energy: -34.354
flat angles P-C4'-P energy: -25.442
tors. eta vs tors. theta energy: -45.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -568.330020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.330020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.330020 (E_RNA)
where:
Base-Base interactions energy: -392.978
where: short stacking energy: -183.204
Base-Backbone interact. energy: -0.333
local terms energy: -175.019133
where:
bonds (distance) C4'-P energy: -31.630
bonds (distance) P-C4' energy: -34.801
flat angles C4'-P-C4' energy: -33.327
flat angles P-C4'-P energy: -28.726
tors. eta vs tors. theta energy: -46.534
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: 3, replica: 8
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -562.096576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.096576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.096576 (E_RNA)
where:
Base-Base interactions energy: -398.797
where: short stacking energy: -168.896
Base-Backbone interact. energy: -1.102
local terms energy: -162.197492
where:
bonds (distance) C4'-P energy: -28.825
bonds (distance) P-C4' energy: -28.258
flat angles C4'-P-C4' energy: -36.933
flat angles P-C4'-P energy: -20.304
tors. eta vs tors. theta energy: -47.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -530.479706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.479706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.479706 (E_RNA)
where:
Base-Base interactions energy: -374.326
where: short stacking energy: -166.815
Base-Backbone interact. energy: -0.209
local terms energy: -155.945101
where:
bonds (distance) C4'-P energy: -29.619
bonds (distance) P-C4' energy: -22.957
flat angles C4'-P-C4' energy: -35.037
flat angles P-C4'-P energy: -24.983
tors. eta vs tors. theta energy: -43.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -494.849683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.849683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.849683 (E_RNA)
where:
Base-Base interactions energy: -354.647
where: short stacking energy: -147.486
Base-Backbone interact. energy: 0.646
local terms energy: -140.848455
where:
bonds (distance) C4'-P energy: -23.797
bonds (distance) P-C4' energy: -30.295
flat angles C4'-P-C4' energy: -32.941
flat angles P-C4'-P energy: -18.261
tors. eta vs tors. theta energy: -35.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -517.877946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.877946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.877946 (E_RNA)
where:
Base-Base interactions energy: -375.256
where: short stacking energy: -144.946
Base-Backbone interact. energy: -1.445
local terms energy: -141.176956
where:
bonds (distance) C4'-P energy: -27.051
bonds (distance) P-C4' energy: -29.796
flat angles C4'-P-C4' energy: -26.282
flat angles P-C4'-P energy: -23.783
tors. eta vs tors. theta energy: -34.265
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: 88
Temperature: 1.200000
Total energy: -473.503862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.503862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.503862 (E_RNA)
where:
Base-Base interactions energy: -335.525
where: short stacking energy: -128.837
Base-Backbone interact. energy: -0.189
local terms energy: -137.789773
where:
bonds (distance) C4'-P energy: -27.874
bonds (distance) P-C4' energy: -31.678
flat angles C4'-P-C4' energy: -32.773
flat angles P-C4'-P energy: -14.743
tors. eta vs tors. theta energy: -30.722
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: 8, replica: 3
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -380.581850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.581850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.581850 (E_RNA)
where:
Base-Base interactions energy: -262.420
where: short stacking energy: -124.227
Base-Backbone interact. energy: -0.115
local terms energy: -118.046533
where:
bonds (distance) C4'-P energy: -26.177
bonds (distance) P-C4' energy: -23.190
flat angles C4'-P-C4' energy: -25.708
flat angles P-C4'-P energy: -15.912
tors. eta vs tors. theta energy: -27.060
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: 9, replica: 4
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -376.853575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.853575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.853575 (E_RNA)
where:
Base-Base interactions energy: -242.605
where: short stacking energy: -109.351
Base-Backbone interact. energy: -0.635
local terms energy: -133.613743
where:
bonds (distance) C4'-P energy: -26.390
bonds (distance) P-C4' energy: -36.464
flat angles C4'-P-C4' energy: -24.674
flat angles P-C4'-P energy: -16.246
tors. eta vs tors. theta energy: -29.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -300.000182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.000182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.000182 (E_RNA)
where:
Base-Base interactions energy: -199.298
where: short stacking energy: -98.294
Base-Backbone interact. energy: -0.663
local terms energy: -100.039023
where:
bonds (distance) C4'-P energy: -25.606
bonds (distance) P-C4' energy: -23.122
flat angles C4'-P-C4' energy: -22.588
flat angles P-C4'-P energy: -18.166
tors. eta vs tors. theta energy: -10.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -584.871706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.871706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.871706 (E_RNA)
where:
Base-Base interactions energy: -413.269
where: short stacking energy: -177.263
Base-Backbone interact. energy: -0.672
local terms energy: -170.930883
where:
bonds (distance) C4'-P energy: -31.010
bonds (distance) P-C4' energy: -29.906
flat angles C4'-P-C4' energy: -33.872
flat angles P-C4'-P energy: -26.997
tors. eta vs tors. theta energy: -49.147
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: 2, replica: 8
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -573.520752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.520752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.520752 (E_RNA)
where:
Base-Base interactions energy: -396.929
where: short stacking energy: -171.760
Base-Backbone interact. energy: -1.296
local terms energy: -175.295685
where:
bonds (distance) C4'-P energy: -35.841
bonds (distance) P-C4' energy: -29.570
flat angles C4'-P-C4' energy: -38.040
flat angles P-C4'-P energy: -24.220
tors. eta vs tors. theta energy: -47.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -560.948520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.948520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.948520 (E_RNA)
where:
Base-Base interactions energy: -394.749
where: short stacking energy: -176.498
Base-Backbone interact. energy: -0.797
local terms energy: -165.402199
where:
bonds (distance) C4'-P energy: -24.382
bonds (distance) P-C4' energy: -32.696
flat angles C4'-P-C4' energy: -33.121
flat angles P-C4'-P energy: -24.752
tors. eta vs tors. theta energy: -50.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -507.791283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.791283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.791283 (E_RNA)
where:
Base-Base interactions energy: -357.513
where: short stacking energy: -149.201
Base-Backbone interact. energy: -0.754
local terms energy: -149.523727
where:
bonds (distance) C4'-P energy: -25.072
bonds (distance) P-C4' energy: -27.965
flat angles C4'-P-C4' energy: -35.716
flat angles P-C4'-P energy: -23.720
tors. eta vs tors. theta energy: -37.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -504.349993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.349993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.349993 (E_RNA)
where:
Base-Base interactions energy: -352.554
where: short stacking energy: -154.561
Base-Backbone interact. energy: -0.091
local terms energy: -151.704625
where:
bonds (distance) C4'-P energy: -25.585
bonds (distance) P-C4' energy: -33.401
flat angles C4'-P-C4' energy: -28.068
flat angles P-C4'-P energy: -27.434
tors. eta vs tors. theta energy: -37.216
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: 6
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -483.471340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.471340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.471340 (E_RNA)
where:
Base-Base interactions energy: -339.543
where: short stacking energy: -145.011
Base-Backbone interact. energy: -0.549
local terms energy: -143.379364
where:
bonds (distance) C4'-P energy: -25.236
bonds (distance) P-C4' energy: -19.856
flat angles C4'-P-C4' energy: -33.705
flat angles P-C4'-P energy: -25.358
tors. eta vs tors. theta energy: -39.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -492.764347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.764347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.764347 (E_RNA)
where:
Base-Base interactions energy: -354.592
where: short stacking energy: -147.540
Base-Backbone interact. energy: 0.100
local terms energy: -138.272127
where:
bonds (distance) C4'-P energy: -31.354
bonds (distance) P-C4' energy: -26.583
flat angles C4'-P-C4' energy: -29.292
flat angles P-C4'-P energy: -15.179
tors. eta vs tors. theta energy: -35.864
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: 4
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -392.339180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.339180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.339180 (E_RNA)
where:
Base-Base interactions energy: -263.616
where: short stacking energy: -129.208
Base-Backbone interact. energy: 5.578
local terms energy: -134.301420
where:
bonds (distance) C4'-P energy: -23.324
bonds (distance) P-C4' energy: -30.535
flat angles C4'-P-C4' energy: -25.945
flat angles P-C4'-P energy: -20.569
tors. eta vs tors. theta energy: -33.928
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: 3
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -345.664993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.664993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.664993 (E_RNA)
where:
Base-Base interactions energy: -217.187
where: short stacking energy: -108.210
Base-Backbone interact. energy: -0.418
local terms energy: -128.060335
where:
bonds (distance) C4'-P energy: -23.105
bonds (distance) P-C4' energy: -35.699
flat angles C4'-P-C4' energy: -27.893
flat angles P-C4'-P energy: -17.043
tors. eta vs tors. theta energy: -24.320
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: 89
Temperature: 1.350000
Total energy: -288.060599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.060599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.060599 (E_RNA)
where:
Base-Base interactions energy: -180.802
where: short stacking energy: -80.727
Base-Backbone interact. energy: 0.272
local terms energy: -107.529844
where:
bonds (distance) C4'-P energy: -27.855
bonds (distance) P-C4' energy: -29.108
flat angles C4'-P-C4' energy: -28.263
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -10.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -573.111894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.111894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.111894 (E_RNA)
where:
Base-Base interactions energy: -407.991
where: short stacking energy: -161.833
Base-Backbone interact. energy: -1.098
local terms energy: -164.022678
where:
bonds (distance) C4'-P energy: -29.677
bonds (distance) P-C4' energy: -29.773
flat angles C4'-P-C4' energy: -34.312
flat angles P-C4'-P energy: -20.767
tors. eta vs tors. theta energy: -49.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -566.896870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.896870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.896870 (E_RNA)
where:
Base-Base interactions energy: -397.328
where: short stacking energy: -167.492
Base-Backbone interact. energy: -0.267
local terms energy: -169.302460
where:
bonds (distance) C4'-P energy: -27.293
bonds (distance) P-C4' energy: -38.837
flat angles C4'-P-C4' energy: -31.312
flat angles P-C4'-P energy: -24.693
tors. eta vs tors. theta energy: -47.167
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: 2
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -551.198650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.198650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.198650 (E_RNA)
where:
Base-Base interactions energy: -384.800
where: short stacking energy: -166.967
Base-Backbone interact. energy: 0.487
local terms energy: -166.886218
where:
bonds (distance) C4'-P energy: -30.995
bonds (distance) P-C4' energy: -31.439
flat angles C4'-P-C4' energy: -35.719
flat angles P-C4'-P energy: -24.349
tors. eta vs tors. theta energy: -44.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -502.026246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.026246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.026246 (E_RNA)
where:
Base-Base interactions energy: -346.387
where: short stacking energy: -170.028
Base-Backbone interact. energy: -2.955
local terms energy: -152.684678
where:
bonds (distance) C4'-P energy: -29.116
bonds (distance) P-C4' energy: -26.706
flat angles C4'-P-C4' energy: -31.201
flat angles P-C4'-P energy: -23.071
tors. eta vs tors. theta energy: -42.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -500.670657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.670657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.670657 (E_RNA)
where:
Base-Base interactions energy: -355.774
where: short stacking energy: -146.998
Base-Backbone interact. energy: -0.734
local terms energy: -144.162110
where:
bonds (distance) C4'-P energy: -28.992
bonds (distance) P-C4' energy: -25.005
flat angles C4'-P-C4' energy: -30.423
flat angles P-C4'-P energy: -22.363
tors. eta vs tors. theta energy: -37.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -501.704342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.704342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.704342 (E_RNA)
where:
Base-Base interactions energy: -350.558
where: short stacking energy: -152.040
Base-Backbone interact. energy: 0.156
local terms energy: -151.302834
where:
bonds (distance) C4'-P energy: -31.174
bonds (distance) P-C4' energy: -25.503
flat angles C4'-P-C4' energy: -35.358
flat angles P-C4'-P energy: -18.859
tors. eta vs tors. theta energy: -40.409
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: 10
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -483.545589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.545589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.545589 (E_RNA)
where:
Base-Base interactions energy: -355.663
where: short stacking energy: -134.595
Base-Backbone interact. energy: -0.967
local terms energy: -126.914994
where:
bonds (distance) C4'-P energy: -23.496
bonds (distance) P-C4' energy: -26.395
flat angles C4'-P-C4' energy: -25.276
flat angles P-C4'-P energy: -21.418
tors. eta vs tors. theta energy: -30.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -372.351069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.351069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.351069 (E_RNA)
where:
Base-Base interactions energy: -243.811
where: short stacking energy: -104.568
Base-Backbone interact. energy: -0.723
local terms energy: -127.817370
where:
bonds (distance) C4'-P energy: -25.870
bonds (distance) P-C4' energy: -31.934
flat angles C4'-P-C4' energy: -27.709
flat angles P-C4'-P energy: -18.148
tors. eta vs tors. theta energy: -24.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -306.883063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.883063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.883063 (E_RNA)
where:
Base-Base interactions energy: -191.082
where: short stacking energy: -90.980
Base-Backbone interact. energy: -1.821
local terms energy: -113.979946
where:
bonds (distance) C4'-P energy: -22.251
bonds (distance) P-C4' energy: -32.017
flat angles C4'-P-C4' energy: -27.504
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -19.772
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: 3
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -293.656242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.656242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.656242 (E_RNA)
where:
Base-Base interactions energy: -170.631
where: short stacking energy: -87.963
Base-Backbone interact. energy: -0.867
local terms energy: -122.158150
where:
bonds (distance) C4'-P energy: -32.391
bonds (distance) P-C4' energy: -30.617
flat angles C4'-P-C4' energy: -23.678
flat angles P-C4'-P energy: -16.766
tors. eta vs tors. theta energy: -18.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -586.228678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.228678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.228678 (E_RNA)
where:
Base-Base interactions energy: -416.012
where: short stacking energy: -180.559
Base-Backbone interact. energy: -0.477
local terms energy: -169.739640
where:
bonds (distance) C4'-P energy: -31.559
bonds (distance) P-C4' energy: -37.094
flat angles C4'-P-C4' energy: -28.990
flat angles P-C4'-P energy: -20.709
tors. eta vs tors. theta energy: -51.387
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: 8
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -575.949208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.949208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.949208 (E_RNA)
where:
Base-Base interactions energy: -417.170
where: short stacking energy: -184.599
Base-Backbone interact. energy: -0.343
local terms energy: -158.435871
where:
bonds (distance) C4'-P energy: -29.565
bonds (distance) P-C4' energy: -28.839
flat angles C4'-P-C4' energy: -29.530
flat angles P-C4'-P energy: -23.121
tors. eta vs tors. theta energy: -47.381
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: 2
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -549.747648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.747648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.747648 (E_RNA)
where:
Base-Base interactions energy: -389.998
where: short stacking energy: -159.663
Base-Backbone interact. energy: -1.222
local terms energy: -158.528363
where:
bonds (distance) C4'-P energy: -31.262
bonds (distance) P-C4' energy: -27.581
flat angles C4'-P-C4' energy: -32.181
flat angles P-C4'-P energy: -23.264
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: 4, replica: 6
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -499.305303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.305303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.305303 (E_RNA)
where:
Base-Base interactions energy: -346.876
where: short stacking energy: -144.319
Base-Backbone interact. energy: -1.460
local terms energy: -150.969355
where:
bonds (distance) C4'-P energy: -32.705
bonds (distance) P-C4' energy: -27.544
flat angles C4'-P-C4' energy: -34.059
flat angles P-C4'-P energy: -18.998
tors. eta vs tors. theta energy: -37.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -485.788297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.788297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.788297 (E_RNA)
where:
Base-Base interactions energy: -334.855
where: short stacking energy: -143.883
Base-Backbone interact. energy: -0.284
local terms energy: -150.649446
where:
bonds (distance) C4'-P energy: -25.807
bonds (distance) P-C4' energy: -34.209
flat angles C4'-P-C4' energy: -33.490
flat angles P-C4'-P energy: -20.728
tors. eta vs tors. theta energy: -36.415
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: 5
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -490.598162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.598162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.598162 (E_RNA)
where:
Base-Base interactions energy: -350.044
where: short stacking energy: -153.836
Base-Backbone interact. energy: 0.434
local terms energy: -140.987942
where:
bonds (distance) C4'-P energy: -22.210
bonds (distance) P-C4' energy: -22.204
flat angles C4'-P-C4' energy: -32.332
flat angles P-C4'-P energy: -21.552
tors. eta vs tors. theta energy: -42.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -475.468141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.468141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.468141 (E_RNA)
where:
Base-Base interactions energy: -329.253
where: short stacking energy: -140.798
Base-Backbone interact. energy: 1.967
local terms energy: -148.182329
where:
bonds (distance) C4'-P energy: -27.109
bonds (distance) P-C4' energy: -29.483
flat angles C4'-P-C4' energy: -30.000
flat angles P-C4'-P energy: -23.737
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: 8, replica: 4
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -376.286242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.286242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.286242 (E_RNA)
where:
Base-Base interactions energy: -240.505
where: short stacking energy: -116.854
Base-Backbone interact. energy: -1.473
local terms energy: -134.308645
where:
bonds (distance) C4'-P energy: -31.044
bonds (distance) P-C4' energy: -29.926
flat angles C4'-P-C4' energy: -25.676
flat angles P-C4'-P energy: -23.000
tors. eta vs tors. theta energy: -24.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -319.120668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.120668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.120668 (E_RNA)
where:
Base-Base interactions energy: -209.681
where: short stacking energy: -102.073
Base-Backbone interact. energy: 0.692
local terms energy: -110.131984
where:
bonds (distance) C4'-P energy: -27.756
bonds (distance) P-C4' energy: -25.620
flat angles C4'-P-C4' energy: -21.573
flat angles P-C4'-P energy: -15.997
tors. eta vs tors. theta energy: -19.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -276.941329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.941329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.941329 (E_RNA)
where:
Base-Base interactions energy: -168.186
where: short stacking energy: -84.568
Base-Backbone interact. energy: -0.182
local terms energy: -108.574182
where:
bonds (distance) C4'-P energy: -20.767
bonds (distance) P-C4' energy: -30.104
flat angles C4'-P-C4' energy: -23.095
flat angles P-C4'-P energy: -20.674
tors. eta vs tors. theta energy: -13.934
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: 92
Temperature: 0.900000
Total energy: -580.186589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.186589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.186589 (E_RNA)
where:
Base-Base interactions energy: -406.961
where: short stacking energy: -168.771
Base-Backbone interact. energy: -1.530
local terms energy: -171.695804
where:
bonds (distance) C4'-P energy: -32.201
bonds (distance) P-C4' energy: -34.779
flat angles C4'-P-C4' energy: -35.262
flat angles P-C4'-P energy: -18.189
tors. eta vs tors. theta energy: -51.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -576.144137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.144137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.144137 (E_RNA)
where:
Base-Base interactions energy: -403.505
where: short stacking energy: -176.691
Base-Backbone interact. energy: -0.183
local terms energy: -172.455864
where:
bonds (distance) C4'-P energy: -34.837
bonds (distance) P-C4' energy: -33.545
flat angles C4'-P-C4' energy: -33.585
flat angles P-C4'-P energy: -18.491
tors. eta vs tors. theta energy: -51.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -553.047560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.047560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.047560 (E_RNA)
where:
Base-Base interactions energy: -388.852
where: short stacking energy: -166.913
Base-Backbone interact. energy: -0.210
local terms energy: -163.985390
where:
bonds (distance) C4'-P energy: -31.522
bonds (distance) P-C4' energy: -31.665
flat angles C4'-P-C4' energy: -34.113
flat angles P-C4'-P energy: -21.202
tors. eta vs tors. theta energy: -45.483
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: 6
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -504.132010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.132010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.132010 (E_RNA)
where:
Base-Base interactions energy: -359.680
where: short stacking energy: -143.370
Base-Backbone interact. energy: 1.358
local terms energy: -145.810627
where:
bonds (distance) C4'-P energy: -21.676
bonds (distance) P-C4' energy: -27.175
flat angles C4'-P-C4' energy: -32.967
flat angles P-C4'-P energy: -21.291
tors. eta vs tors. theta energy: -42.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -509.964074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.964074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.964074 (E_RNA)
where:
Base-Base interactions energy: -345.159
where: short stacking energy: -161.588
Base-Backbone interact. energy: -0.047
local terms energy: -164.758191
where:
bonds (distance) C4'-P energy: -28.953
bonds (distance) P-C4' energy: -30.309
flat angles C4'-P-C4' energy: -36.472
flat angles P-C4'-P energy: -20.805
tors. eta vs tors. theta energy: -48.218
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: 6, replica: 1
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -466.988288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.988288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.988288 (E_RNA)
where:
Base-Base interactions energy: -318.266
where: short stacking energy: -135.193
Base-Backbone interact. energy: -1.959
local terms energy: -146.763415
where:
bonds (distance) C4'-P energy: -22.597
bonds (distance) P-C4' energy: -30.251
flat angles C4'-P-C4' energy: -31.248
flat angles P-C4'-P energy: -26.533
tors. eta vs tors. theta energy: -36.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -466.038156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.038156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.038156 (E_RNA)
where:
Base-Base interactions energy: -315.072
where: short stacking energy: -138.134
Base-Backbone interact. energy: -0.538
local terms energy: -150.427430
where:
bonds (distance) C4'-P energy: -25.431
bonds (distance) P-C4' energy: -32.596
flat angles C4'-P-C4' energy: -37.936
flat angles P-C4'-P energy: -25.025
tors. eta vs tors. theta energy: -29.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -370.213560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.213560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.213560 (E_RNA)
where:
Base-Base interactions energy: -231.228
where: short stacking energy: -114.018
Base-Backbone interact. energy: 0.382
local terms energy: -139.367529
where:
bonds (distance) C4'-P energy: -31.431
bonds (distance) P-C4' energy: -28.186
flat angles C4'-P-C4' energy: -33.156
flat angles P-C4'-P energy: -19.410
tors. eta vs tors. theta energy: -27.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -315.503385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.503385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.503385 (E_RNA)
where:
Base-Base interactions energy: -180.169
where: short stacking energy: -86.444
Base-Backbone interact. energy: -1.210
local terms energy: -134.123705
where:
bonds (distance) C4'-P energy: -27.929
bonds (distance) P-C4' energy: -36.439
flat angles C4'-P-C4' energy: -35.643
flat angles P-C4'-P energy: -16.716
tors. eta vs tors. theta energy: -17.397
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: 3
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -275.448673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.448673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.448673 (E_RNA)
where:
Base-Base interactions energy: -167.023
where: short stacking energy: -76.497
Base-Backbone interact. energy: -0.440
local terms energy: -107.985525
where:
bonds (distance) C4'-P energy: -25.220
bonds (distance) P-C4' energy: -24.752
flat angles C4'-P-C4' energy: -24.220
flat angles P-C4'-P energy: -18.514
tors. eta vs tors. theta energy: -15.280
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: 93
Temperature: 0.900000
Total energy: -581.404931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.404931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.404931 (E_RNA)
where:
Base-Base interactions energy: -407.271
where: short stacking energy: -164.316
Base-Backbone interact. energy: -2.521
local terms energy: -171.613173
where:
bonds (distance) C4'-P energy: -28.580
bonds (distance) P-C4' energy: -35.654
flat angles C4'-P-C4' energy: -30.737
flat angles P-C4'-P energy: -27.006
tors. eta vs tors. theta energy: -49.636
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: 2
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -562.136640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.136640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.136640 (E_RNA)
where:
Base-Base interactions energy: -389.693
where: short stacking energy: -168.046
Base-Backbone interact. energy: -0.004
local terms energy: -172.440116
where:
bonds (distance) C4'-P energy: -34.169
bonds (distance) P-C4' energy: -29.358
flat angles C4'-P-C4' energy: -34.496
flat angles P-C4'-P energy: -24.505
tors. eta vs tors. theta energy: -49.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -554.170920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.170920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.170920 (E_RNA)
where:
Base-Base interactions energy: -388.024
where: short stacking energy: -168.718
Base-Backbone interact. energy: -0.667
local terms energy: -165.479559
where:
bonds (distance) C4'-P energy: -27.781
bonds (distance) P-C4' energy: -34.912
flat angles C4'-P-C4' energy: -34.724
flat angles P-C4'-P energy: -22.200
tors. eta vs tors. theta energy: -45.863
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: 4, replica: 6
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -500.177104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.177104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.177104 (E_RNA)
where:
Base-Base interactions energy: -351.384
where: short stacking energy: -151.336
Base-Backbone interact. energy: 0.398
local terms energy: -149.191326
where:
bonds (distance) C4'-P energy: -24.978
bonds (distance) P-C4' energy: -28.956
flat angles C4'-P-C4' energy: -32.065
flat angles P-C4'-P energy: -24.038
tors. eta vs tors. theta energy: -39.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -476.437862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.437862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.437862 (E_RNA)
where:
Base-Base interactions energy: -332.597
where: short stacking energy: -145.011
Base-Backbone interact. energy: -0.153
local terms energy: -143.688057
where:
bonds (distance) C4'-P energy: -24.587
bonds (distance) P-C4' energy: -30.233
flat angles C4'-P-C4' energy: -28.485
flat angles P-C4'-P energy: -21.039
tors. eta vs tors. theta energy: -39.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -490.720487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.720487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.720487 (E_RNA)
where:
Base-Base interactions energy: -340.570
where: short stacking energy: -147.555
Base-Backbone interact. energy: -0.263
local terms energy: -149.887470
where:
bonds (distance) C4'-P energy: -27.250
bonds (distance) P-C4' energy: -36.168
flat angles C4'-P-C4' energy: -28.746
flat angles P-C4'-P energy: -20.042
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: 7, replica: 10
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -438.430787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.430787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.430787 (E_RNA)
where:
Base-Base interactions energy: -292.519
where: short stacking energy: -125.473
Base-Backbone interact. energy: -0.160
local terms energy: -145.751885
where:
bonds (distance) C4'-P energy: -30.073
bonds (distance) P-C4' energy: -36.656
flat angles C4'-P-C4' energy: -26.348
flat angles P-C4'-P energy: -18.867
tors. eta vs tors. theta energy: -33.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -356.810028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.810028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.810028 (E_RNA)
where:
Base-Base interactions energy: -241.351
where: short stacking energy: -112.061
Base-Backbone interact. energy: -0.338
local terms energy: -115.120556
where:
bonds (distance) C4'-P energy: -23.683
bonds (distance) P-C4' energy: -26.943
flat angles C4'-P-C4' energy: -18.095
flat angles P-C4'-P energy: -19.672
tors. eta vs tors. theta energy: -26.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -310.417607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.417607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.417607 (E_RNA)
where:
Base-Base interactions energy: -206.944
where: short stacking energy: -92.931
Base-Backbone interact. energy: -1.157
local terms energy: -102.315996
where:
bonds (distance) C4'-P energy: -28.206
bonds (distance) P-C4' energy: -19.543
flat angles C4'-P-C4' energy: -35.583
flat angles P-C4'-P energy: -6.763
tors. eta vs tors. theta energy: -12.221
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: 3
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -311.863210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.863210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.863210 (E_RNA)
where:
Base-Base interactions energy: -196.049
where: short stacking energy: -100.283
Base-Backbone interact. energy: 0.221
local terms energy: -116.035680
where:
bonds (distance) C4'-P energy: -22.875
bonds (distance) P-C4' energy: -32.640
flat angles C4'-P-C4' energy: -30.801
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -17.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -586.199527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.199527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.199527 (E_RNA)
where:
Base-Base interactions energy: -405.776
where: short stacking energy: -172.006
Base-Backbone interact. energy: 0.976
local terms energy: -181.399671
where:
bonds (distance) C4'-P energy: -34.778
bonds (distance) P-C4' energy: -32.150
flat angles C4'-P-C4' energy: -39.641
flat angles P-C4'-P energy: -23.978
tors. eta vs tors. theta energy: -50.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -563.914838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.914838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.914838 (E_RNA)
where:
Base-Base interactions energy: -395.610
where: short stacking energy: -173.580
Base-Backbone interact. energy: -0.271
local terms energy: -168.034319
where:
bonds (distance) C4'-P energy: -32.040
bonds (distance) P-C4' energy: -32.413
flat angles C4'-P-C4' energy: -33.355
flat angles P-C4'-P energy: -18.957
tors. eta vs tors. theta energy: -51.270
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: 8
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -562.953789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.953789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.953789 (E_RNA)
where:
Base-Base interactions energy: -381.996
where: short stacking energy: -172.263
Base-Backbone interact. energy: -0.262
local terms energy: -180.695303
where:
bonds (distance) C4'-P energy: -34.171
bonds (distance) P-C4' energy: -32.650
flat angles C4'-P-C4' energy: -40.307
flat angles P-C4'-P energy: -22.465
tors. eta vs tors. theta energy: -51.102
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: 6
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -512.146537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.146537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.146537 (E_RNA)
where:
Base-Base interactions energy: -363.425
where: short stacking energy: -158.633
Base-Backbone interact. energy: 0.287
local terms energy: -149.008728
where:
bonds (distance) C4'-P energy: -26.863
bonds (distance) P-C4' energy: -27.519
flat angles C4'-P-C4' energy: -34.073
flat angles P-C4'-P energy: -19.387
tors. eta vs tors. theta energy: -41.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -491.052404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.052404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.052404 (E_RNA)
where:
Base-Base interactions energy: -342.004
where: short stacking energy: -146.004
Base-Backbone interact. energy: -0.390
local terms energy: -148.659171
where:
bonds (distance) C4'-P energy: -29.137
bonds (distance) P-C4' energy: -26.719
flat angles C4'-P-C4' energy: -31.928
flat angles P-C4'-P energy: -17.269
tors. eta vs tors. theta energy: -43.605
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: 6, replica: 5
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -486.171803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.171803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.171803 (E_RNA)
where:
Base-Base interactions energy: -336.723
where: short stacking energy: -142.683
Base-Backbone interact. energy: -0.474
local terms energy: -148.974620
where:
bonds (distance) C4'-P energy: -27.372
bonds (distance) P-C4' energy: -32.647
flat angles C4'-P-C4' energy: -30.997
flat angles P-C4'-P energy: -17.890
tors. eta vs tors. theta energy: -40.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -458.890452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.890452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.890452 (E_RNA)
where:
Base-Base interactions energy: -322.331
where: short stacking energy: -138.085
Base-Backbone interact. energy: 0.226
local terms energy: -136.786296
where:
bonds (distance) C4'-P energy: -26.211
bonds (distance) P-C4' energy: -28.376
flat angles C4'-P-C4' energy: -32.051
flat angles P-C4'-P energy: -20.681
tors. eta vs tors. theta energy: -29.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -357.166953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.166953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.166953 (E_RNA)
where:
Base-Base interactions energy: -228.671
where: short stacking energy: -115.648
Base-Backbone interact. energy: 0.505
local terms energy: -129.000914
where:
bonds (distance) C4'-P energy: -26.928
bonds (distance) P-C4' energy: -30.182
flat angles C4'-P-C4' energy: -30.427
flat angles P-C4'-P energy: -19.139
tors. eta vs tors. theta energy: -22.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -316.747889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.747889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.747889 (E_RNA)
where:
Base-Base interactions energy: -206.865
where: short stacking energy: -99.951
Base-Backbone interact. energy: -0.788
local terms energy: -109.094150
where:
bonds (distance) C4'-P energy: -25.898
bonds (distance) P-C4' energy: -26.162
flat angles C4'-P-C4' energy: -24.999
flat angles P-C4'-P energy: -19.207
tors. eta vs tors. theta energy: -12.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -323.207925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.207925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.207925 (E_RNA)
where:
Base-Base interactions energy: -198.022
where: short stacking energy: -95.772
Base-Backbone interact. energy: -0.089
local terms energy: -125.096859
where:
bonds (distance) C4'-P energy: -26.832
bonds (distance) P-C4' energy: -26.323
flat angles C4'-P-C4' energy: -27.236
flat angles P-C4'-P energy: -25.455
tors. eta vs tors. theta energy: -19.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -584.783441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.783441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.783441 (E_RNA)
where:
Base-Base interactions energy: -401.837
where: short stacking energy: -171.718
Base-Backbone interact. energy: -1.706
local terms energy: -181.240021
where:
bonds (distance) C4'-P energy: -31.443
bonds (distance) P-C4' energy: -31.792
flat angles C4'-P-C4' energy: -35.620
flat angles P-C4'-P energy: -27.706
tors. eta vs tors. theta energy: -54.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -570.727277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.727277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.727277 (E_RNA)
where:
Base-Base interactions energy: -396.407
where: short stacking energy: -163.402
Base-Backbone interact. energy: -1.155
local terms energy: -173.165985
where:
bonds (distance) C4'-P energy: -25.944
bonds (distance) P-C4' energy: -30.262
flat angles C4'-P-C4' energy: -37.758
flat angles P-C4'-P energy: -28.256
tors. eta vs tors. theta energy: -50.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -573.282808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.282808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.282808 (E_RNA)
where:
Base-Base interactions energy: -395.868
where: short stacking energy: -169.156
Base-Backbone interact. energy: -0.276
local terms energy: -177.138176
where:
bonds (distance) C4'-P energy: -30.946
bonds (distance) P-C4' energy: -32.987
flat angles C4'-P-C4' energy: -37.299
flat angles P-C4'-P energy: -26.245
tors. eta vs tors. theta energy: -49.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -511.443814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.443814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.443814 (E_RNA)
where:
Base-Base interactions energy: -362.690
where: short stacking energy: -155.877
Base-Backbone interact. energy: -0.073
local terms energy: -148.681221
where:
bonds (distance) C4'-P energy: -28.524
bonds (distance) P-C4' energy: -27.010
flat angles C4'-P-C4' energy: -31.449
flat angles P-C4'-P energy: -25.581
tors. eta vs tors. theta energy: -36.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -499.207880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.207880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.207880 (E_RNA)
where:
Base-Base interactions energy: -331.073
where: short stacking energy: -154.685
Base-Backbone interact. energy: -0.264
local terms energy: -167.871547
where:
bonds (distance) C4'-P energy: -29.352
bonds (distance) P-C4' energy: -33.907
flat angles C4'-P-C4' energy: -32.399
flat angles P-C4'-P energy: -24.712
tors. eta vs tors. theta energy: -47.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -513.538943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.538943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.538943 (E_RNA)
where:
Base-Base interactions energy: -353.448
where: short stacking energy: -161.105
Base-Backbone interact. energy: 0.180
local terms energy: -160.270948
where:
bonds (distance) C4'-P energy: -30.143
bonds (distance) P-C4' energy: -31.020
flat angles C4'-P-C4' energy: -31.353
flat angles P-C4'-P energy: -26.926
tors. eta vs tors. theta energy: -40.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -468.528154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.528154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.528154 (E_RNA)
where:
Base-Base interactions energy: -322.584
where: short stacking energy: -126.404
Base-Backbone interact. energy: -0.395
local terms energy: -145.549216
where:
bonds (distance) C4'-P energy: -32.847
bonds (distance) P-C4' energy: -31.519
flat angles C4'-P-C4' energy: -29.454
flat angles P-C4'-P energy: -23.849
tors. eta vs tors. theta energy: -27.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -349.034279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.034279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.034279 (E_RNA)
where:
Base-Base interactions energy: -220.303
where: short stacking energy: -94.217
Base-Backbone interact. energy: -0.456
local terms energy: -128.274682
where:
bonds (distance) C4'-P energy: -31.165
bonds (distance) P-C4' energy: -28.792
flat angles C4'-P-C4' energy: -23.955
flat angles P-C4'-P energy: -18.116
tors. eta vs tors. theta energy: -26.248
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: 4
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -312.913776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.913776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.913776 (E_RNA)
where:
Base-Base interactions energy: -196.668
where: short stacking energy: -89.032
Base-Backbone interact. energy: -0.977
local terms energy: -115.268877
where:
bonds (distance) C4'-P energy: -23.088
bonds (distance) P-C4' energy: -29.471
flat angles C4'-P-C4' energy: -23.328
flat angles P-C4'-P energy: -22.172
tors. eta vs tors. theta energy: -17.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -321.372295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.372295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.372295 (E_RNA)
where:
Base-Base interactions energy: -200.034
where: short stacking energy: -105.951
Base-Backbone interact. energy: -0.408
local terms energy: -120.930918
where:
bonds (distance) C4'-P energy: -25.334
bonds (distance) P-C4' energy: -26.349
flat angles C4'-P-C4' energy: -23.528
flat angles P-C4'-P energy: -22.966
tors. eta vs tors. theta energy: -22.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -584.679225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.679225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.679225 (E_RNA)
where:
Base-Base interactions energy: -411.503
where: short stacking energy: -167.485
Base-Backbone interact. energy: -2.029
local terms energy: -171.146555
where:
bonds (distance) C4'-P energy: -32.756
bonds (distance) P-C4' energy: -26.943
flat angles C4'-P-C4' energy: -35.882
flat angles P-C4'-P energy: -27.035
tors. eta vs tors. theta energy: -48.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -583.043996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.043996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.043996 (E_RNA)
where:
Base-Base interactions energy: -415.774
where: short stacking energy: -169.820
Base-Backbone interact. energy: -1.706
local terms energy: -165.563750
where:
bonds (distance) C4'-P energy: -28.880
bonds (distance) P-C4' energy: -31.730
flat angles C4'-P-C4' energy: -36.033
flat angles P-C4'-P energy: -18.699
tors. eta vs tors. theta energy: -50.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -558.809611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.809611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.809611 (E_RNA)
where:
Base-Base interactions energy: -395.946
where: short stacking energy: -168.683
Base-Backbone interact. energy: -0.563
local terms energy: -162.300768
where:
bonds (distance) C4'-P energy: -27.633
bonds (distance) P-C4' energy: -32.913
flat angles C4'-P-C4' energy: -35.087
flat angles P-C4'-P energy: -22.238
tors. eta vs tors. theta energy: -44.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -514.988100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.988100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.988100 (E_RNA)
where:
Base-Base interactions energy: -360.427
where: short stacking energy: -159.485
Base-Backbone interact. energy: -0.575
local terms energy: -153.985943
where:
bonds (distance) C4'-P energy: -35.296
bonds (distance) P-C4' energy: -31.458
flat angles C4'-P-C4' energy: -27.223
flat angles P-C4'-P energy: -15.889
tors. eta vs tors. theta energy: -44.120
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: 5, replica: 5
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -522.554981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.554981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.554981 (E_RNA)
where:
Base-Base interactions energy: -365.040
where: short stacking energy: -163.303
Base-Backbone interact. energy: -0.764
local terms energy: -156.751315
where:
bonds (distance) C4'-P energy: -27.241
bonds (distance) P-C4' energy: -29.409
flat angles C4'-P-C4' energy: -31.558
flat angles P-C4'-P energy: -21.486
tors. eta vs tors. theta energy: -47.057
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: 6, replica: 1
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -471.001851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.001851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.001851 (E_RNA)
where:
Base-Base interactions energy: -321.050
where: short stacking energy: -146.802
Base-Backbone interact. energy: 0.439
local terms energy: -150.391233
where:
bonds (distance) C4'-P energy: -29.483
bonds (distance) P-C4' energy: -30.114
flat angles C4'-P-C4' energy: -33.539
flat angles P-C4'-P energy: -19.303
tors. eta vs tors. theta energy: -37.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -442.471293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.471293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.471293 (E_RNA)
where:
Base-Base interactions energy: -319.961
where: short stacking energy: -110.616
Base-Backbone interact. energy: -1.172
local terms energy: -121.338090
where:
bonds (distance) C4'-P energy: -31.762
bonds (distance) P-C4' energy: -26.544
flat angles C4'-P-C4' energy: -24.385
flat angles P-C4'-P energy: -21.729
tors. eta vs tors. theta energy: -16.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -338.714552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.714552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.714552 (E_RNA)
where:
Base-Base interactions energy: -212.594
where: short stacking energy: -95.151
Base-Backbone interact. energy: -0.173
local terms energy: -125.947055
where:
bonds (distance) C4'-P energy: -34.528
bonds (distance) P-C4' energy: -20.114
flat angles C4'-P-C4' energy: -27.774
flat angles P-C4'-P energy: -23.090
tors. eta vs tors. theta energy: -20.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -344.647576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.647576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.647576 (E_RNA)
where:
Base-Base interactions energy: -221.936
where: short stacking energy: -102.517
Base-Backbone interact. energy: -0.604
local terms energy: -122.107676
where:
bonds (distance) C4'-P energy: -27.002
bonds (distance) P-C4' energy: -27.434
flat angles C4'-P-C4' energy: -30.715
flat angles P-C4'-P energy: -17.541
tors. eta vs tors. theta energy: -19.416
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: 4
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -303.354919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.354919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.354919 (E_RNA)
where:
Base-Base interactions energy: -198.038
where: short stacking energy: -98.409
Base-Backbone interact. energy: 1.033
local terms energy: -106.350121
where:
bonds (distance) C4'-P energy: -30.562
bonds (distance) P-C4' energy: -23.584
flat angles C4'-P-C4' energy: -23.001
flat angles P-C4'-P energy: -18.334
tors. eta vs tors. theta energy: -10.869
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: 1, replica: 8
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -580.075296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.075296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.075296 (E_RNA)
where:
Base-Base interactions energy: -406.887
where: short stacking energy: -175.135
Base-Backbone interact. energy: -0.870
local terms energy: -172.318533
where:
bonds (distance) C4'-P energy: -30.215
bonds (distance) P-C4' energy: -30.319
flat angles C4'-P-C4' energy: -34.329
flat angles P-C4'-P energy: -25.498
tors. eta vs tors. theta energy: -51.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -573.057838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.057838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.057838 (E_RNA)
where:
Base-Base interactions energy: -403.785
where: short stacking energy: -185.254
Base-Backbone interact. energy: 0.812
local terms energy: -170.084491
where:
bonds (distance) C4'-P energy: -34.081
bonds (distance) P-C4' energy: -32.939
flat angles C4'-P-C4' energy: -35.505
flat angles P-C4'-P energy: -18.940
tors. eta vs tors. theta energy: -48.620
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: 97
Temperature: 1.000000
Total energy: -561.626740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.626740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.626740 (E_RNA)
where:
Base-Base interactions energy: -409.044
where: short stacking energy: -163.321
Base-Backbone interact. energy: -1.009
local terms energy: -151.574215
where:
bonds (distance) C4'-P energy: -31.328
bonds (distance) P-C4' energy: -30.226
flat angles C4'-P-C4' energy: -27.898
flat angles P-C4'-P energy: -19.955
tors. eta vs tors. theta energy: -42.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -534.131402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.131402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.131402 (E_RNA)
where:
Base-Base interactions energy: -384.535
where: short stacking energy: -168.692
Base-Backbone interact. energy: -1.717
local terms energy: -147.879624
where:
bonds (distance) C4'-P energy: -19.343
bonds (distance) P-C4' energy: -25.197
flat angles C4'-P-C4' energy: -32.663
flat angles P-C4'-P energy: -24.260
tors. eta vs tors. theta energy: -46.416
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: 5, replica: 6
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -490.905564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.905564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.905564 (E_RNA)
where:
Base-Base interactions energy: -340.485
where: short stacking energy: -145.261
Base-Backbone interact. energy: 0.711
local terms energy: -151.131744
where:
bonds (distance) C4'-P energy: -28.217
bonds (distance) P-C4' energy: -29.613
flat angles C4'-P-C4' energy: -37.574
flat angles P-C4'-P energy: -21.531
tors. eta vs tors. theta energy: -34.198
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: 1
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -485.116095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.116095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.116095 (E_RNA)
where:
Base-Base interactions energy: -339.122
where: short stacking energy: -146.578
Base-Backbone interact. energy: -0.169
local terms energy: -145.824250
where:
bonds (distance) C4'-P energy: -20.050
bonds (distance) P-C4' energy: -30.597
flat angles C4'-P-C4' energy: -34.835
flat angles P-C4'-P energy: -21.406
tors. eta vs tors. theta energy: -38.936
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: 10
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -443.379333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.379333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.379333 (E_RNA)
where:
Base-Base interactions energy: -319.855
where: short stacking energy: -113.355
Base-Backbone interact. energy: -0.567
local terms energy: -122.956832
where:
bonds (distance) C4'-P energy: -27.665
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -28.300
flat angles P-C4'-P energy: -17.747
tors. eta vs tors. theta energy: -27.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -367.744749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.744749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.744749 (E_RNA)
where:
Base-Base interactions energy: -236.112
where: short stacking energy: -118.625
Base-Backbone interact. energy: -1.098
local terms energy: -130.535519
where:
bonds (distance) C4'-P energy: -26.173
bonds (distance) P-C4' energy: -28.501
flat angles C4'-P-C4' energy: -26.838
flat angles P-C4'-P energy: -17.768
tors. eta vs tors. theta energy: -31.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -349.021259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.021259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.021259 (E_RNA)
where:
Base-Base interactions energy: -221.298
where: short stacking energy: -102.263
Base-Backbone interact. energy: 2.712
local terms energy: -130.435778
where:
bonds (distance) C4'-P energy: -25.451
bonds (distance) P-C4' energy: -16.720
flat angles C4'-P-C4' energy: -34.803
flat angles P-C4'-P energy: -21.733
tors. eta vs tors. theta energy: -31.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -289.663242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.663242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.663242 (E_RNA)
where:
Base-Base interactions energy: -175.325
where: short stacking energy: -73.785
Base-Backbone interact. energy: -0.208
local terms energy: -114.129849
where:
bonds (distance) C4'-P energy: -27.287
bonds (distance) P-C4' energy: -35.294
flat angles C4'-P-C4' energy: -20.531
flat angles P-C4'-P energy: -16.641
tors. eta vs tors. theta energy: -14.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -582.540500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.540500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.540500 (E_RNA)
where:
Base-Base interactions energy: -403.911
where: short stacking energy: -178.734
Base-Backbone interact. energy: -0.716
local terms energy: -177.912996
where:
bonds (distance) C4'-P energy: -34.940
bonds (distance) P-C4' energy: -36.530
flat angles C4'-P-C4' energy: -33.085
flat angles P-C4'-P energy: -24.078
tors. eta vs tors. theta energy: -49.281
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: 2, replica: 8
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -565.969572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.969572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.969572 (E_RNA)
where:
Base-Base interactions energy: -399.630
where: short stacking energy: -175.430
Base-Backbone interact. energy: -0.312
local terms energy: -166.027114
where:
bonds (distance) C4'-P energy: -27.241
bonds (distance) P-C4' energy: -31.511
flat angles C4'-P-C4' energy: -32.698
flat angles P-C4'-P energy: -23.667
tors. eta vs tors. theta energy: -50.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -566.537200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.537200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.537200 (E_RNA)
where:
Base-Base interactions energy: -407.439
where: short stacking energy: -168.282
Base-Backbone interact. energy: -0.874
local terms energy: -158.224086
where:
bonds (distance) C4'-P energy: -30.644
bonds (distance) P-C4' energy: -30.861
flat angles C4'-P-C4' energy: -35.791
flat angles P-C4'-P energy: -17.329
tors. eta vs tors. theta energy: -43.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -517.616198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.616198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.616198 (E_RNA)
where:
Base-Base interactions energy: -348.461
where: short stacking energy: -163.324
Base-Backbone interact. energy: -0.028
local terms energy: -169.127079
where:
bonds (distance) C4'-P energy: -26.224
bonds (distance) P-C4' energy: -32.377
flat angles C4'-P-C4' energy: -38.368
flat angles P-C4'-P energy: -26.995
tors. eta vs tors. theta energy: -45.163
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: 6
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -496.249334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.249334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.249334 (E_RNA)
where:
Base-Base interactions energy: -339.319
where: short stacking energy: -142.572
Base-Backbone interact. energy: -0.155
local terms energy: -156.775807
where:
bonds (distance) C4'-P energy: -31.311
bonds (distance) P-C4' energy: -34.351
flat angles C4'-P-C4' energy: -31.634
flat angles P-C4'-P energy: -20.491
tors. eta vs tors. theta energy: -38.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -466.592377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.592377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.592377 (E_RNA)
where:
Base-Base interactions energy: -333.962
where: short stacking energy: -144.867
Base-Backbone interact. energy: -0.565
local terms energy: -132.065430
where:
bonds (distance) C4'-P energy: -25.388
bonds (distance) P-C4' energy: -20.915
flat angles C4'-P-C4' energy: -31.149
flat angles P-C4'-P energy: -15.439
tors. eta vs tors. theta energy: -39.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -437.655311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.655311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.655311 (E_RNA)
where:
Base-Base interactions energy: -311.378
where: short stacking energy: -123.331
Base-Backbone interact. energy: -2.415
local terms energy: -123.862749
where:
bonds (distance) C4'-P energy: -32.180
bonds (distance) P-C4' energy: -25.126
flat angles C4'-P-C4' energy: -30.535
flat angles P-C4'-P energy: -7.595
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: 8, replica: 3
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -391.657439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.657439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.657439 (E_RNA)
where:
Base-Base interactions energy: -264.287
where: short stacking energy: -110.905
Base-Backbone interact. energy: 0.714
local terms energy: -128.083897
where:
bonds (distance) C4'-P energy: -22.534
bonds (distance) P-C4' energy: -21.475
flat angles C4'-P-C4' energy: -33.833
flat angles P-C4'-P energy: -20.008
tors. eta vs tors. theta energy: -30.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -309.202202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.202202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.202202 (E_RNA)
where:
Base-Base interactions energy: -198.629
where: short stacking energy: -92.292
Base-Backbone interact. energy: -0.186
local terms energy: -110.387405
where:
bonds (distance) C4'-P energy: -32.330
bonds (distance) P-C4' energy: -24.605
flat angles C4'-P-C4' energy: -21.926
flat angles P-C4'-P energy: -16.899
tors. eta vs tors. theta energy: -14.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -325.440927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.440927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.440927 (E_RNA)
where:
Base-Base interactions energy: -209.352
where: short stacking energy: -92.087
Base-Backbone interact. energy: -0.158
local terms energy: -115.931447
where:
bonds (distance) C4'-P energy: -30.390
bonds (distance) P-C4' energy: -22.527
flat angles C4'-P-C4' energy: -25.038
flat angles P-C4'-P energy: -19.204
tors. eta vs tors. theta energy: -18.773
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: 1, replica: 2
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -572.990219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.990219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.990219 (E_RNA)
where:
Base-Base interactions energy: -404.113
where: short stacking energy: -178.715
Base-Backbone interact. energy: -0.528
local terms energy: -168.349029
where:
bonds (distance) C4'-P energy: -26.292
bonds (distance) P-C4' energy: -34.200
flat angles C4'-P-C4' energy: -34.805
flat angles P-C4'-P energy: -27.243
tors. eta vs tors. theta energy: -45.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -575.136836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.136836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.136836 (E_RNA)
where:
Base-Base interactions energy: -397.427
where: short stacking energy: -179.076
Base-Backbone interact. energy: -0.012
local terms energy: -177.698198
where:
bonds (distance) C4'-P energy: -37.154
bonds (distance) P-C4' energy: -32.907
flat angles C4'-P-C4' energy: -34.364
flat angles P-C4'-P energy: -22.907
tors. eta vs tors. theta energy: -50.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -545.116945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.116945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.116945 (E_RNA)
where:
Base-Base interactions energy: -389.578
where: short stacking energy: -169.186
Base-Backbone interact. energy: -0.404
local terms energy: -155.135337
where:
bonds (distance) C4'-P energy: -23.947
bonds (distance) P-C4' energy: -32.700
flat angles C4'-P-C4' energy: -36.878
flat angles P-C4'-P energy: -21.749
tors. eta vs tors. theta energy: -39.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -502.342723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.342723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.342723 (E_RNA)
where:
Base-Base interactions energy: -349.300
where: short stacking energy: -151.305
Base-Backbone interact. energy: -0.158
local terms energy: -152.884732
where:
bonds (distance) C4'-P energy: -24.927
bonds (distance) P-C4' energy: -26.234
flat angles C4'-P-C4' energy: -34.916
flat angles P-C4'-P energy: -23.657
tors. eta vs tors. theta energy: -43.151
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: 5
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -515.828971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.828971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.828971 (E_RNA)
where:
Base-Base interactions energy: -352.262
where: short stacking energy: -162.086
Base-Backbone interact. energy: 0.454
local terms energy: -164.020371
where:
bonds (distance) C4'-P energy: -32.669
bonds (distance) P-C4' energy: -28.666
flat angles C4'-P-C4' energy: -31.230
flat angles P-C4'-P energy: -24.479
tors. eta vs tors. theta energy: -46.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -442.361186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.361186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.361186 (E_RNA)
where:
Base-Base interactions energy: -297.005
where: short stacking energy: -132.932
Base-Backbone interact. energy: -0.460
local terms energy: -144.896362
where:
bonds (distance) C4'-P energy: -25.048
bonds (distance) P-C4' energy: -28.509
flat angles C4'-P-C4' energy: -33.478
flat angles P-C4'-P energy: -23.609
tors. eta vs tors. theta energy: -34.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -466.659572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.659572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.659572 (E_RNA)
where:
Base-Base interactions energy: -323.082
where: short stacking energy: -109.338
Base-Backbone interact. energy: -0.871
local terms energy: -142.706849
where:
bonds (distance) C4'-P energy: -27.284
bonds (distance) P-C4' energy: -31.016
flat angles C4'-P-C4' energy: -30.297
flat angles P-C4'-P energy: -22.958
tors. eta vs tors. theta energy: -31.151
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: 8, replica: 3
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -366.237722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.237722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.237722 (E_RNA)
where:
Base-Base interactions energy: -226.118
where: short stacking energy: -105.637
Base-Backbone interact. energy: 2.772
local terms energy: -142.891648
where:
bonds (distance) C4'-P energy: -32.385
bonds (distance) P-C4' energy: -36.771
flat angles C4'-P-C4' energy: -31.593
flat angles P-C4'-P energy: -27.038
tors. eta vs tors. theta energy: -15.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -319.188982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.188982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.188982 (E_RNA)
where:
Base-Base interactions energy: -214.282
where: short stacking energy: -89.794
Base-Backbone interact. energy: -0.230
local terms energy: -104.677923
where:
bonds (distance) C4'-P energy: -22.771
bonds (distance) P-C4' energy: -24.364
flat angles C4'-P-C4' energy: -29.512
flat angles P-C4'-P energy: -18.751
tors. eta vs tors. theta energy: -9.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -326.213411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.213411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.213411 (E_RNA)
where:
Base-Base interactions energy: -211.392
where: short stacking energy: -116.404
Base-Backbone interact. energy: 1.139
local terms energy: -115.960025
where:
bonds (distance) C4'-P energy: -20.741
bonds (distance) P-C4' energy: -31.889
flat angles C4'-P-C4' energy: -24.897
flat angles P-C4'-P energy: -17.032
tors. eta vs tors. theta energy: -21.400
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: 1, replica: 8
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -583.959136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.959136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.959136 (E_RNA)
where:
Base-Base interactions energy: -399.841
where: short stacking energy: -175.466
Base-Backbone interact. energy: -0.642
local terms energy: -183.476120
where:
bonds (distance) C4'-P energy: -31.654
bonds (distance) P-C4' energy: -34.791
flat angles C4'-P-C4' energy: -35.012
flat angles P-C4'-P energy: -27.729
tors. eta vs tors. theta energy: -54.290
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: 2
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -571.431382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.431382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.431382 (E_RNA)
where:
Base-Base interactions energy: -394.516
where: short stacking energy: -185.307
Base-Backbone interact. energy: -0.926
local terms energy: -175.989138
where:
bonds (distance) C4'-P energy: -32.590
bonds (distance) P-C4' energy: -34.313
flat angles C4'-P-C4' energy: -34.475
flat angles P-C4'-P energy: -24.976
tors. eta vs tors. theta energy: -49.636
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: 7
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -554.423179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.423179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.423179 (E_RNA)
where:
Base-Base interactions energy: -392.695
where: short stacking energy: -147.318
Base-Backbone interact. energy: -0.460
local terms energy: -161.268592
where:
bonds (distance) C4'-P energy: -25.177
bonds (distance) P-C4' energy: -31.734
flat angles C4'-P-C4' energy: -39.212
flat angles P-C4'-P energy: -24.266
tors. eta vs tors. theta energy: -40.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -516.208882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.208882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.208882 (E_RNA)
where:
Base-Base interactions energy: -359.013
where: short stacking energy: -140.947
Base-Backbone interact. energy: -0.418
local terms energy: -156.778060
where:
bonds (distance) C4'-P energy: -26.359
bonds (distance) P-C4' energy: -34.853
flat angles C4'-P-C4' energy: -24.965
flat angles P-C4'-P energy: -23.929
tors. eta vs tors. theta energy: -46.673
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: 100
Temperature: 1.100000
Total energy: -524.281152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.281152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.281152 (E_RNA)
where:
Base-Base interactions energy: -364.927
where: short stacking energy: -165.243
Base-Backbone interact. energy: -1.023
local terms energy: -158.330378
where:
bonds (distance) C4'-P energy: -30.444
bonds (distance) P-C4' energy: -29.740
flat angles C4'-P-C4' energy: -29.031
flat angles P-C4'-P energy: -23.746
tors. eta vs tors. theta energy: -45.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -447.974343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.974343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.974343 (E_RNA)
where:
Base-Base interactions energy: -310.728
where: short stacking energy: -132.941
Base-Backbone interact. energy: -0.275
local terms energy: -136.971571
where:
bonds (distance) C4'-P energy: -32.351
bonds (distance) P-C4' energy: -23.825
flat angles C4'-P-C4' energy: -34.084
flat angles P-C4'-P energy: -13.607
tors. eta vs tors. theta energy: -33.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -459.461431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.461431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.461431 (E_RNA)
where:
Base-Base interactions energy: -328.474
where: short stacking energy: -124.792
Base-Backbone interact. energy: -3.398
local terms energy: -127.589036
where:
bonds (distance) C4'-P energy: -22.163
bonds (distance) P-C4' energy: -33.130
flat angles C4'-P-C4' energy: -29.191
flat angles P-C4'-P energy: -16.725
tors. eta vs tors. theta energy: -26.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -393.508450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.508450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.508450 (E_RNA)
where:
Base-Base interactions energy: -262.895
where: short stacking energy: -122.474
Base-Backbone interact. energy: 0.480
local terms energy: -131.093386
where:
bonds (distance) C4'-P energy: -25.069
bonds (distance) P-C4' energy: -27.552
flat angles C4'-P-C4' energy: -29.722
flat angles P-C4'-P energy: -23.302
tors. eta vs tors. theta energy: -25.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -327.668563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.668563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.668563 (E_RNA)
where:
Base-Base interactions energy: -200.092
where: short stacking energy: -117.020
Base-Backbone interact. energy: 3.763
local terms energy: -131.339646
where:
bonds (distance) C4'-P energy: -22.596
bonds (distance) P-C4' energy: -31.587
flat angles C4'-P-C4' energy: -30.066
flat angles P-C4'-P energy: -15.918
tors. eta vs tors. theta energy: -31.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -361.011820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.011820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.011820 (E_RNA)
where:
Base-Base interactions energy: -240.731
where: short stacking energy: -109.919
Base-Backbone interact. energy: -0.294
local terms energy: -119.986162
where:
bonds (distance) C4'-P energy: -31.556
bonds (distance) P-C4' energy: -33.818
flat angles C4'-P-C4' energy: -22.490
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -20.612
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: 8
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -582.254447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.254447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.254447 (E_RNA)
where:
Base-Base interactions energy: -399.658
where: short stacking energy: -175.751
Base-Backbone interact. energy: -0.824
local terms energy: -181.772273
where:
bonds (distance) C4'-P energy: -29.901
bonds (distance) P-C4' energy: -35.210
flat angles C4'-P-C4' energy: -36.044
flat angles P-C4'-P energy: -28.627
tors. eta vs tors. theta energy: -51.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -567.508481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.508481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.508481 (E_RNA)
where:
Base-Base interactions energy: -387.826
where: short stacking energy: -155.885
Base-Backbone interact. energy: -1.278
local terms energy: -178.404946
where:
bonds (distance) C4'-P energy: -35.326
bonds (distance) P-C4' energy: -32.116
flat angles C4'-P-C4' energy: -36.056
flat angles P-C4'-P energy: -26.927
tors. eta vs tors. theta energy: -47.981
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: 2
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -560.890472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.890472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.890472 (E_RNA)
where:
Base-Base interactions energy: -392.932
where: short stacking energy: -180.496
Base-Backbone interact. energy: -0.054
local terms energy: -167.904584
where:
bonds (distance) C4'-P energy: -32.290
bonds (distance) P-C4' energy: -28.318
flat angles C4'-P-C4' energy: -36.016
flat angles P-C4'-P energy: -24.460
tors. eta vs tors. theta energy: -46.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -551.035112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.035112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.035112 (E_RNA)
where:
Base-Base interactions energy: -382.884
where: short stacking energy: -168.319
Base-Backbone interact. energy: -0.820
local terms energy: -167.331385
where:
bonds (distance) C4'-P energy: -35.829
bonds (distance) P-C4' energy: -31.605
flat angles C4'-P-C4' energy: -33.439
flat angles P-C4'-P energy: -21.093
tors. eta vs tors. theta energy: -45.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -507.371813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.371813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.371813 (E_RNA)
where:
Base-Base interactions energy: -359.843
where: short stacking energy: -149.339
Base-Backbone interact. energy: -0.760
local terms energy: -146.768796
where:
bonds (distance) C4'-P energy: -23.912
bonds (distance) P-C4' energy: -33.467
flat angles C4'-P-C4' energy: -27.073
flat angles P-C4'-P energy: -21.658
tors. eta vs tors. theta energy: -40.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -504.989267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.989267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.989267 (E_RNA)
where:
Base-Base interactions energy: -364.602
where: short stacking energy: -137.882
Base-Backbone interact. energy: -1.665
local terms energy: -138.722052
where:
bonds (distance) C4'-P energy: -26.027
bonds (distance) P-C4' energy: -24.993
flat angles C4'-P-C4' energy: -33.638
flat angles P-C4'-P energy: -20.897
tors. eta vs tors. theta energy: -33.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -486.398337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.398337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.398337 (E_RNA)
where:
Base-Base interactions energy: -357.809
where: short stacking energy: -138.649
Base-Backbone interact. energy: -0.570
local terms energy: -128.018596
where:
bonds (distance) C4'-P energy: -27.680
bonds (distance) P-C4' energy: -27.300
flat angles C4'-P-C4' energy: -29.268
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -30.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -364.333814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.333814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.333814 (E_RNA)
where:
Base-Base interactions energy: -240.175
where: short stacking energy: -122.144
Base-Backbone interact. energy: -0.291
local terms energy: -123.867293
where:
bonds (distance) C4'-P energy: -19.335
bonds (distance) P-C4' energy: -29.142
flat angles C4'-P-C4' energy: -26.073
flat angles P-C4'-P energy: -20.914
tors. eta vs tors. theta energy: -28.404
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: 101
Temperature: 1.300000
Total energy: -306.557993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.557993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.557993 (E_RNA)
where:
Base-Base interactions energy: -187.972
where: short stacking energy: -100.472
Base-Backbone interact. energy: -0.609
local terms energy: -117.977159
where:
bonds (distance) C4'-P energy: -24.778
bonds (distance) P-C4' energy: -31.562
flat angles C4'-P-C4' energy: -29.065
flat angles P-C4'-P energy: -14.397
tors. eta vs tors. theta energy: -18.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -391.726654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.726654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.726654 (E_RNA)
where:
Base-Base interactions energy: -265.155
where: short stacking energy: -121.038
Base-Backbone interact. energy: -0.235
local terms energy: -126.336459
where:
bonds (distance) C4'-P energy: -25.098
bonds (distance) P-C4' energy: -29.686
flat angles C4'-P-C4' energy: -28.900
flat angles P-C4'-P energy: -18.921
tors. eta vs tors. theta energy: -23.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -580.193524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.193524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.193524 (E_RNA)
where:
Base-Base interactions energy: -405.208
where: short stacking energy: -166.550
Base-Backbone interact. energy: -1.795
local terms energy: -173.190950
where:
bonds (distance) C4'-P energy: -34.425
bonds (distance) P-C4' energy: -35.228
flat angles C4'-P-C4' energy: -32.967
flat angles P-C4'-P energy: -27.421
tors. eta vs tors. theta energy: -43.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -573.350877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.350877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.350877 (E_RNA)
where:
Base-Base interactions energy: -398.353
where: short stacking energy: -169.243
Base-Backbone interact. energy: -0.035
local terms energy: -174.963332
where:
bonds (distance) C4'-P energy: -31.419
bonds (distance) P-C4' energy: -31.410
flat angles C4'-P-C4' energy: -36.781
flat angles P-C4'-P energy: -24.093
tors. eta vs tors. theta energy: -51.260
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: 5
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -556.926962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.926962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.926962 (E_RNA)
where:
Base-Base interactions energy: -389.990
where: short stacking energy: -167.245
Base-Backbone interact. energy: 0.917
local terms energy: -167.853451
where:
bonds (distance) C4'-P energy: -32.667
bonds (distance) P-C4' energy: -29.222
flat angles C4'-P-C4' energy: -38.727
flat angles P-C4'-P energy: -21.071
tors. eta vs tors. theta energy: -46.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -549.643226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.643226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.643226 (E_RNA)
where:
Base-Base interactions energy: -385.452
where: short stacking energy: -172.632
Base-Backbone interact. energy: -0.060
local terms energy: -164.131142
where:
bonds (distance) C4'-P energy: -33.110
bonds (distance) P-C4' energy: -21.336
flat angles C4'-P-C4' energy: -34.333
flat angles P-C4'-P energy: -29.272
tors. eta vs tors. theta energy: -46.080
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: 1
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -514.792857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.792857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.792857 (E_RNA)
where:
Base-Base interactions energy: -370.992
where: short stacking energy: -143.557
Base-Backbone interact. energy: 0.652
local terms energy: -144.453158
where:
bonds (distance) C4'-P energy: -25.712
bonds (distance) P-C4' energy: -32.475
flat angles C4'-P-C4' energy: -37.017
flat angles P-C4'-P energy: -18.509
tors. eta vs tors. theta energy: -30.739
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: 6, replica: 6
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -494.330745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.330745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.330745 (E_RNA)
where:
Base-Base interactions energy: -341.119
where: short stacking energy: -143.634
Base-Backbone interact. energy: 0.160
local terms energy: -153.371766
where:
bonds (distance) C4'-P energy: -29.805
bonds (distance) P-C4' energy: -34.043
flat angles C4'-P-C4' energy: -33.568
flat angles P-C4'-P energy: -17.890
tors. eta vs tors. theta energy: -38.066
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: 7, replica: 10
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -515.045298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.045298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.045298 (E_RNA)
where:
Base-Base interactions energy: -367.734
where: short stacking energy: -137.199
Base-Backbone interact. energy: -0.292
local terms energy: -147.018786
where:
bonds (distance) C4'-P energy: -29.094
bonds (distance) P-C4' energy: -32.761
flat angles C4'-P-C4' energy: -32.695
flat angles P-C4'-P energy: -18.748
tors. eta vs tors. theta energy: -33.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -353.887622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.887622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.887622 (E_RNA)
where:
Base-Base interactions energy: -226.306
where: short stacking energy: -103.813
Base-Backbone interact. energy: -1.276
local terms energy: -126.305768
where:
bonds (distance) C4'-P energy: -28.563
bonds (distance) P-C4' energy: -29.053
flat angles C4'-P-C4' energy: -29.453
flat angles P-C4'-P energy: -15.212
tors. eta vs tors. theta energy: -24.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -420.535285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.535285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.535285 (E_RNA)
where:
Base-Base interactions energy: -287.775
where: short stacking energy: -127.452
Base-Backbone interact. energy: 1.591
local terms energy: -134.351032
where:
bonds (distance) C4'-P energy: -25.924
bonds (distance) P-C4' energy: -26.408
flat angles C4'-P-C4' energy: -30.159
flat angles P-C4'-P energy: -17.953
tors. eta vs tors. theta energy: -33.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -307.267799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.267799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.267799 (E_RNA)
where:
Base-Base interactions energy: -185.561
where: short stacking energy: -88.353
Base-Backbone interact. energy: 2.991
local terms energy: -124.697076
where:
bonds (distance) C4'-P energy: -29.795
bonds (distance) P-C4' energy: -30.536
flat angles C4'-P-C4' energy: -23.388
flat angles P-C4'-P energy: -20.532
tors. eta vs tors. theta energy: -20.445
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: 103
Temperature: 0.900000
Total energy: -582.187295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.187295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.187295 (E_RNA)
where:
Base-Base interactions energy: -410.729
where: short stacking energy: -169.267
Base-Backbone interact. energy: -1.310
local terms energy: -170.147784
where:
bonds (distance) C4'-P energy: -33.385
bonds (distance) P-C4' energy: -32.281
flat angles C4'-P-C4' energy: -35.278
flat angles P-C4'-P energy: -25.108
tors. eta vs tors. theta energy: -44.096
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: 5
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -565.071443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.071443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.071443 (E_RNA)
where:
Base-Base interactions energy: -384.886
where: short stacking energy: -177.079
Base-Backbone interact. energy: -0.151
local terms energy: -180.034747
where:
bonds (distance) C4'-P energy: -37.950
bonds (distance) P-C4' energy: -31.256
flat angles C4'-P-C4' energy: -36.534
flat angles P-C4'-P energy: -23.736
tors. eta vs tors. theta energy: -50.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -553.778822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.778822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.778822 (E_RNA)
where:
Base-Base interactions energy: -393.948
where: short stacking energy: -170.859
Base-Backbone interact. energy: -1.081
local terms energy: -158.750503
where:
bonds (distance) C4'-P energy: -28.276
bonds (distance) P-C4' energy: -35.272
flat angles C4'-P-C4' energy: -28.342
flat angles P-C4'-P energy: -18.602
tors. eta vs tors. theta energy: -48.258
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: 1
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -527.969947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.969947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.969947 (E_RNA)
where:
Base-Base interactions energy: -381.300
where: short stacking energy: -150.423
Base-Backbone interact. energy: 0.763
local terms energy: -147.432878
where:
bonds (distance) C4'-P energy: -28.934
bonds (distance) P-C4' energy: -31.978
flat angles C4'-P-C4' energy: -32.262
flat angles P-C4'-P energy: -22.752
tors. eta vs tors. theta energy: -31.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -547.700283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.700283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.700283 (E_RNA)
where:
Base-Base interactions energy: -393.056
where: short stacking energy: -179.558
Base-Backbone interact. energy: -0.258
local terms energy: -154.386061
where:
bonds (distance) C4'-P energy: -30.366
bonds (distance) P-C4' energy: -24.613
flat angles C4'-P-C4' energy: -33.611
flat angles P-C4'-P energy: -22.355
tors. eta vs tors. theta energy: -43.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -514.596359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.596359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.596359 (E_RNA)
where:
Base-Base interactions energy: -360.184
where: short stacking energy: -167.417
Base-Backbone interact. energy: -0.277
local terms energy: -154.135395
where:
bonds (distance) C4'-P energy: -24.435
bonds (distance) P-C4' energy: -24.086
flat angles C4'-P-C4' energy: -34.745
flat angles P-C4'-P energy: -22.941
tors. eta vs tors. theta energy: -47.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -480.625754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.625754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.625754 (E_RNA)
where:
Base-Base interactions energy: -352.494
where: short stacking energy: -138.614
Base-Backbone interact. energy: 1.197
local terms energy: -129.328813
where:
bonds (distance) C4'-P energy: -28.405
bonds (distance) P-C4' energy: -27.740
flat angles C4'-P-C4' energy: -26.343
flat angles P-C4'-P energy: -16.200
tors. eta vs tors. theta energy: -30.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -429.644617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.644617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.644617 (E_RNA)
where:
Base-Base interactions energy: -283.000
where: short stacking energy: -129.338
Base-Backbone interact. energy: -0.032
local terms energy: -146.613027
where:
bonds (distance) C4'-P energy: -24.282
bonds (distance) P-C4' energy: -27.894
flat angles C4'-P-C4' energy: -31.005
flat angles P-C4'-P energy: -22.460
tors. eta vs tors. theta energy: -40.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -317.749288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.749288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.749288 (E_RNA)
where:
Base-Base interactions energy: -201.706
where: short stacking energy: -78.478
Base-Backbone interact. energy: -1.473
local terms energy: -114.569985
where:
bonds (distance) C4'-P energy: -26.619
bonds (distance) P-C4' energy: -27.043
flat angles C4'-P-C4' energy: -29.566
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -19.257
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: 10, replica: 9
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -333.935219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.935219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.935219 (E_RNA)
where:
Base-Base interactions energy: -213.266
where: short stacking energy: -90.939
Base-Backbone interact. energy: -0.323
local terms energy: -120.346319
where:
bonds (distance) C4'-P energy: -27.569
bonds (distance) P-C4' energy: -29.443
flat angles C4'-P-C4' energy: -27.692
flat angles P-C4'-P energy: -19.001
tors. eta vs tors. theta energy: -16.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -570.706438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.706438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.706438 (E_RNA)
where:
Base-Base interactions energy: -394.328
where: short stacking energy: -169.538
Base-Backbone interact. energy: 0.538
local terms energy: -176.915820
where:
bonds (distance) C4'-P energy: -32.504
bonds (distance) P-C4' energy: -33.107
flat angles C4'-P-C4' energy: -39.447
flat angles P-C4'-P energy: -24.331
tors. eta vs tors. theta energy: -47.527
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: 104
Temperature: 0.950000
Total energy: -554.591728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.591728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.591728 (E_RNA)
where:
Base-Base interactions energy: -391.226
where: short stacking energy: -157.529
Base-Backbone interact. energy: -0.746
local terms energy: -162.619691
where:
bonds (distance) C4'-P energy: -30.891
bonds (distance) P-C4' energy: -30.231
flat angles C4'-P-C4' energy: -33.132
flat angles P-C4'-P energy: -22.714
tors. eta vs tors. theta energy: -45.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -548.651362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.651362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.651362 (E_RNA)
where:
Base-Base interactions energy: -387.555
where: short stacking energy: -157.150
Base-Backbone interact. energy: -1.294
local terms energy: -159.801918
where:
bonds (distance) C4'-P energy: -31.623
bonds (distance) P-C4' energy: -29.325
flat angles C4'-P-C4' energy: -33.832
flat angles P-C4'-P energy: -24.640
tors. eta vs tors. theta energy: -40.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -562.346073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.346073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.346073 (E_RNA)
where:
Base-Base interactions energy: -388.299
where: short stacking energy: -171.863
Base-Backbone interact. energy: -0.118
local terms energy: -173.928850
where:
bonds (distance) C4'-P energy: -34.772
bonds (distance) P-C4' energy: -31.960
flat angles C4'-P-C4' energy: -29.766
flat angles P-C4'-P energy: -26.665
tors. eta vs tors. theta energy: -50.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -526.023185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.023185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.023185 (E_RNA)
where:
Base-Base interactions energy: -376.744
where: short stacking energy: -166.544
Base-Backbone interact. energy: -1.010
local terms energy: -148.269811
where:
bonds (distance) C4'-P energy: -22.490
bonds (distance) P-C4' energy: -26.223
flat angles C4'-P-C4' energy: -33.863
flat angles P-C4'-P energy: -22.753
tors. eta vs tors. theta energy: -42.940
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: 6
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -501.612605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.612605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.612605 (E_RNA)
where:
Base-Base interactions energy: -354.882
where: short stacking energy: -166.665
Base-Backbone interact. energy: -0.412
local terms energy: -146.317915
where:
bonds (distance) C4'-P energy: -28.346
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -29.120
flat angles P-C4'-P energy: -19.058
tors. eta vs tors. theta energy: -49.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -508.487572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.487572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.487572 (E_RNA)
where:
Base-Base interactions energy: -360.602
where: short stacking energy: -149.334
Base-Backbone interact. energy: -1.157
local terms energy: -146.728841
where:
bonds (distance) C4'-P energy: -31.255
bonds (distance) P-C4' energy: -24.279
flat angles C4'-P-C4' energy: -32.009
flat angles P-C4'-P energy: -17.875
tors. eta vs tors. theta energy: -41.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -441.425436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.425436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.425436 (E_RNA)
where:
Base-Base interactions energy: -309.782
where: short stacking energy: -142.120
Base-Backbone interact. energy: -0.706
local terms energy: -130.937302
where:
bonds (distance) C4'-P energy: -27.144
bonds (distance) P-C4' energy: -25.992
flat angles C4'-P-C4' energy: -28.172
flat angles P-C4'-P energy: -17.514
tors. eta vs tors. theta energy: -32.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -305.542836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.542836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.542836 (E_RNA)
where:
Base-Base interactions energy: -199.502
where: short stacking energy: -86.086
Base-Backbone interact. energy: 0.110
local terms energy: -106.151091
where:
bonds (distance) C4'-P energy: -22.896
bonds (distance) P-C4' energy: -32.906
flat angles C4'-P-C4' energy: -22.837
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -15.913
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: 3
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -327.953983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.953983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.953983 (E_RNA)
where:
Base-Base interactions energy: -217.677
where: short stacking energy: -93.985
Base-Backbone interact. energy: -0.465
local terms energy: -109.811685
where:
bonds (distance) C4'-P energy: -24.788
bonds (distance) P-C4' energy: -25.640
flat angles C4'-P-C4' energy: -25.803
flat angles P-C4'-P energy: -17.254
tors. eta vs tors. theta energy: -16.327
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: 5
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -572.305753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.305753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.305753 (E_RNA)
where:
Base-Base interactions energy: -403.015
where: short stacking energy: -172.941
Base-Backbone interact. energy: -0.421
local terms energy: -168.869585
where:
bonds (distance) C4'-P energy: -31.929
bonds (distance) P-C4' energy: -29.529
flat angles C4'-P-C4' energy: -35.667
flat angles P-C4'-P energy: -27.987
tors. eta vs tors. theta energy: -43.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -556.510306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.510306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.510306 (E_RNA)
where:
Base-Base interactions energy: -397.867
where: short stacking energy: -158.224
Base-Backbone interact. energy: 0.262
local terms energy: -158.904817
where:
bonds (distance) C4'-P energy: -33.477
bonds (distance) P-C4' energy: -26.976
flat angles C4'-P-C4' energy: -32.713
flat angles P-C4'-P energy: -18.676
tors. eta vs tors. theta energy: -47.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -559.298214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.298214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.298214 (E_RNA)
where:
Base-Base interactions energy: -400.964
where: short stacking energy: -158.936
Base-Backbone interact. energy: -2.810
local terms energy: -155.524066
where:
bonds (distance) C4'-P energy: -28.943
bonds (distance) P-C4' energy: -25.506
flat angles C4'-P-C4' energy: -31.763
flat angles P-C4'-P energy: -25.607
tors. eta vs tors. theta energy: -43.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -547.591937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.591937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.591937 (E_RNA)
where:
Base-Base interactions energy: -385.058
where: short stacking energy: -164.352
Base-Backbone interact. energy: -1.291
local terms energy: -161.243175
where:
bonds (distance) C4'-P energy: -32.297
bonds (distance) P-C4' energy: -31.677
flat angles C4'-P-C4' energy: -29.519
flat angles P-C4'-P energy: -20.710
tors. eta vs tors. theta energy: -47.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -533.046455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.046455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.046455 (E_RNA)
where:
Base-Base interactions energy: -376.974
where: short stacking energy: -166.450
Base-Backbone interact. energy: -0.317
local terms energy: -155.755161
where:
bonds (distance) C4'-P energy: -26.943
bonds (distance) P-C4' energy: -21.078
flat angles C4'-P-C4' energy: -37.147
flat angles P-C4'-P energy: -23.183
tors. eta vs tors. theta energy: -47.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -526.048437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.048437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.048437 (E_RNA)
where:
Base-Base interactions energy: -358.628
where: short stacking energy: -162.423
Base-Backbone interact. energy: -1.291
local terms energy: -166.129781
where:
bonds (distance) C4'-P energy: -30.924
bonds (distance) P-C4' energy: -27.168
flat angles C4'-P-C4' energy: -36.828
flat angles P-C4'-P energy: -23.030
tors. eta vs tors. theta energy: -48.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -484.065948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.065948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.065948 (E_RNA)
where:
Base-Base interactions energy: -334.752
where: short stacking energy: -130.539
Base-Backbone interact. energy: 0.525
local terms energy: -149.838801
where:
bonds (distance) C4'-P energy: -29.820
bonds (distance) P-C4' energy: -30.674
flat angles C4'-P-C4' energy: -29.533
flat angles P-C4'-P energy: -22.393
tors. eta vs tors. theta energy: -37.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -412.243423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.243423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.243423 (E_RNA)
where:
Base-Base interactions energy: -277.974
where: short stacking energy: -122.192
Base-Backbone interact. energy: 2.151
local terms energy: -136.420176
where:
bonds (distance) C4'-P energy: -30.614
bonds (distance) P-C4' energy: -20.899
flat angles C4'-P-C4' energy: -34.931
flat angles P-C4'-P energy: -23.873
tors. eta vs tors. theta energy: -26.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -307.928702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.928702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.928702 (E_RNA)
where:
Base-Base interactions energy: -204.889
where: short stacking energy: -93.404
Base-Backbone interact. energy: 1.189
local terms energy: -104.228233
where:
bonds (distance) C4'-P energy: -29.836
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -34.620
flat angles P-C4'-P energy: -15.387
tors. eta vs tors. theta energy: -9.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -345.236185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.236185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.236185 (E_RNA)
where:
Base-Base interactions energy: -219.806
where: short stacking energy: -109.583
Base-Backbone interact. energy: -0.318
local terms energy: -125.112466
where:
bonds (distance) C4'-P energy: -22.368
bonds (distance) P-C4' energy: -27.598
flat angles C4'-P-C4' energy: -27.373
flat angles P-C4'-P energy: -24.724
tors. eta vs tors. theta energy: -23.049
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: 5
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -565.196756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.196756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.196756 (E_RNA)
where:
Base-Base interactions energy: -386.013
where: short stacking energy: -183.752
Base-Backbone interact. energy: -0.118
local terms energy: -179.066650
where:
bonds (distance) C4'-P energy: -36.013
bonds (distance) P-C4' energy: -30.654
flat angles C4'-P-C4' energy: -35.463
flat angles P-C4'-P energy: -29.145
tors. eta vs tors. theta energy: -47.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -553.872160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.872160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.872160 (E_RNA)
where:
Base-Base interactions energy: -388.230
where: short stacking energy: -154.437
Base-Backbone interact. energy: 0.857
local terms energy: -166.499759
where:
bonds (distance) C4'-P energy: -34.104
bonds (distance) P-C4' energy: -29.326
flat angles C4'-P-C4' energy: -33.930
flat angles P-C4'-P energy: -25.733
tors. eta vs tors. theta energy: -43.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -548.081302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.081302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.081302 (E_RNA)
where:
Base-Base interactions energy: -380.876
where: short stacking energy: -155.280
Base-Backbone interact. energy: -1.005
local terms energy: -166.200194
where:
bonds (distance) C4'-P energy: -32.280
bonds (distance) P-C4' energy: -32.319
flat angles C4'-P-C4' energy: -35.719
flat angles P-C4'-P energy: -24.624
tors. eta vs tors. theta energy: -41.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -559.084815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.084815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.084815 (E_RNA)
where:
Base-Base interactions energy: -386.454
where: short stacking energy: -164.287
Base-Backbone interact. energy: -2.321
local terms energy: -170.310145
where:
bonds (distance) C4'-P energy: -28.334
bonds (distance) P-C4' energy: -32.602
flat angles C4'-P-C4' energy: -35.517
flat angles P-C4'-P energy: -26.597
tors. eta vs tors. theta energy: -47.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -525.406505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.406505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.406505 (E_RNA)
where:
Base-Base interactions energy: -358.829
where: short stacking energy: -161.735
Base-Backbone interact. energy: 0.275
local terms energy: -166.851755
where:
bonds (distance) C4'-P energy: -32.387
bonds (distance) P-C4' energy: -34.011
flat angles C4'-P-C4' energy: -30.756
flat angles P-C4'-P energy: -24.514
tors. eta vs tors. theta energy: -45.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -511.792484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.792484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.792484 (E_RNA)
where:
Base-Base interactions energy: -358.315
where: short stacking energy: -152.472
Base-Backbone interact. energy: -1.515
local terms energy: -151.963179
where:
bonds (distance) C4'-P energy: -22.247
bonds (distance) P-C4' energy: -27.302
flat angles C4'-P-C4' energy: -37.030
flat angles P-C4'-P energy: -23.760
tors. eta vs tors. theta energy: -41.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -496.277914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.277914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.277914 (E_RNA)
where:
Base-Base interactions energy: -361.531
where: short stacking energy: -139.999
Base-Backbone interact. energy: -0.955
local terms energy: -133.791613
where:
bonds (distance) C4'-P energy: -26.802
bonds (distance) P-C4' energy: -23.564
flat angles C4'-P-C4' energy: -31.208
flat angles P-C4'-P energy: -19.901
tors. eta vs tors. theta energy: -32.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -400.822743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.822743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.822743 (E_RNA)
where:
Base-Base interactions energy: -261.196
where: short stacking energy: -120.205
Base-Backbone interact. energy: -0.112
local terms energy: -139.514044
where:
bonds (distance) C4'-P energy: -26.480
bonds (distance) P-C4' energy: -22.907
flat angles C4'-P-C4' energy: -35.301
flat angles P-C4'-P energy: -24.525
tors. eta vs tors. theta energy: -30.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -303.624768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.624768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.624768 (E_RNA)
where:
Base-Base interactions energy: -198.192
where: short stacking energy: -90.338
Base-Backbone interact. energy: -0.422
local terms energy: -105.010677
where:
bonds (distance) C4'-P energy: -21.742
bonds (distance) P-C4' energy: -23.734
flat angles C4'-P-C4' energy: -29.225
flat angles P-C4'-P energy: -16.495
tors. eta vs tors. theta energy: -13.814
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: 3
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -387.043622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.043622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.043622 (E_RNA)
where:
Base-Base interactions energy: -260.465
where: short stacking energy: -103.906
Base-Backbone interact. energy: -0.979
local terms energy: -125.599576
where:
bonds (distance) C4'-P energy: -28.226
bonds (distance) P-C4' energy: -27.769
flat angles C4'-P-C4' energy: -27.962
flat angles P-C4'-P energy: -21.231
tors. eta vs tors. theta energy: -20.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -579.433117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.433117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.433117 (E_RNA)
where:
Base-Base interactions energy: -406.772
where: short stacking energy: -175.704
Base-Backbone interact. energy: -0.155
local terms energy: -172.506515
where:
bonds (distance) C4'-P energy: -28.706
bonds (distance) P-C4' energy: -28.285
flat angles C4'-P-C4' energy: -39.771
flat angles P-C4'-P energy: -26.194
tors. eta vs tors. theta energy: -49.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -556.534745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.534745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.534745 (E_RNA)
where:
Base-Base interactions energy: -390.389
where: short stacking energy: -160.129
Base-Backbone interact. energy: -1.238
local terms energy: -164.907704
where:
bonds (distance) C4'-P energy: -35.550
bonds (distance) P-C4' energy: -33.445
flat angles C4'-P-C4' energy: -32.963
flat angles P-C4'-P energy: -19.020
tors. eta vs tors. theta energy: -43.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -548.704658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.704658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.704658 (E_RNA)
where:
Base-Base interactions energy: -386.763
where: short stacking energy: -159.770
Base-Backbone interact. energy: -0.255
local terms energy: -161.685994
where:
bonds (distance) C4'-P energy: -22.368
bonds (distance) P-C4' energy: -30.435
flat angles C4'-P-C4' energy: -36.300
flat angles P-C4'-P energy: -27.599
tors. eta vs tors. theta energy: -44.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -547.366184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.366184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.366184 (E_RNA)
where:
Base-Base interactions energy: -387.038
where: short stacking energy: -167.313
Base-Backbone interact. energy: -0.777
local terms energy: -159.550557
where:
bonds (distance) C4'-P energy: -30.615
bonds (distance) P-C4' energy: -25.284
flat angles C4'-P-C4' energy: -33.290
flat angles P-C4'-P energy: -21.786
tors. eta vs tors. theta energy: -48.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -518.006637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.006637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.006637 (E_RNA)
where:
Base-Base interactions energy: -359.901
where: short stacking energy: -151.475
Base-Backbone interact. energy: 0.362
local terms energy: -158.467854
where:
bonds (distance) C4'-P energy: -23.698
bonds (distance) P-C4' energy: -30.649
flat angles C4'-P-C4' energy: -39.024
flat angles P-C4'-P energy: -23.712
tors. eta vs tors. theta energy: -41.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -513.363151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.363151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.363151 (E_RNA)
where:
Base-Base interactions energy: -354.833
where: short stacking energy: -158.321
Base-Backbone interact. energy: -0.075
local terms energy: -158.455833
where:
bonds (distance) C4'-P energy: -24.319
bonds (distance) P-C4' energy: -29.813
flat angles C4'-P-C4' energy: -35.043
flat angles P-C4'-P energy: -20.745
tors. eta vs tors. theta energy: -48.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -474.265859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.265859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.265859 (E_RNA)
where:
Base-Base interactions energy: -338.005
where: short stacking energy: -136.585
Base-Backbone interact. energy: -0.367
local terms energy: -135.893417
where:
bonds (distance) C4'-P energy: -25.420
bonds (distance) P-C4' energy: -25.301
flat angles C4'-P-C4' energy: -30.416
flat angles P-C4'-P energy: -25.970
tors. eta vs tors. theta energy: -28.785
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: 4
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -395.313981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.313981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.313981 (E_RNA)
where:
Base-Base interactions energy: -266.728
where: short stacking energy: -126.479
Base-Backbone interact. energy: -0.690
local terms energy: -127.895785
where:
bonds (distance) C4'-P energy: -24.103
bonds (distance) P-C4' energy: -27.817
flat angles C4'-P-C4' energy: -24.663
flat angles P-C4'-P energy: -14.547
tors. eta vs tors. theta energy: -36.766
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: 9
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -300.548342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.548342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.548342 (E_RNA)
where:
Base-Base interactions energy: -179.386
where: short stacking energy: -82.282
Base-Backbone interact. energy: 0.732
local terms energy: -121.894263
where:
bonds (distance) C4'-P energy: -30.090
bonds (distance) P-C4' energy: -31.563
flat angles C4'-P-C4' energy: -26.666
flat angles P-C4'-P energy: -23.427
tors. eta vs tors. theta energy: -10.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -339.932259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.932259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.932259 (E_RNA)
where:
Base-Base interactions energy: -208.064
where: short stacking energy: -89.349
Base-Backbone interact. energy: -0.892
local terms energy: -130.976465
where:
bonds (distance) C4'-P energy: -28.339
bonds (distance) P-C4' energy: -32.808
flat angles C4'-P-C4' energy: -31.955
flat angles P-C4'-P energy: -20.128
tors. eta vs tors. theta energy: -17.746
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: 5
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -592.538417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.538417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.538417 (E_RNA)
where:
Base-Base interactions energy: -417.626
where: short stacking energy: -181.996
Base-Backbone interact. energy: -0.037
local terms energy: -174.875037
where:
bonds (distance) C4'-P energy: -33.720
bonds (distance) P-C4' energy: -31.594
flat angles C4'-P-C4' energy: -29.840
flat angles P-C4'-P energy: -26.616
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: 2, replica: 1
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -555.092333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.092333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.092333 (E_RNA)
where:
Base-Base interactions energy: -398.661
where: short stacking energy: -154.623
Base-Backbone interact. energy: -1.170
local terms energy: -155.260913
where:
bonds (distance) C4'-P energy: -28.363
bonds (distance) P-C4' energy: -32.005
flat angles C4'-P-C4' energy: -37.247
flat angles P-C4'-P energy: -21.447
tors. eta vs tors. theta energy: -36.199
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: 8
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -555.215650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.215650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.215650 (E_RNA)
where:
Base-Base interactions energy: -390.480
where: short stacking energy: -170.875
Base-Backbone interact. energy: -0.015
local terms energy: -164.720393
where:
bonds (distance) C4'-P energy: -31.868
bonds (distance) P-C4' energy: -25.134
flat angles C4'-P-C4' energy: -33.365
flat angles P-C4'-P energy: -23.170
tors. eta vs tors. theta energy: -51.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -538.134497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.134497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.134497 (E_RNA)
where:
Base-Base interactions energy: -368.826
where: short stacking energy: -156.217
Base-Backbone interact. energy: -0.573
local terms energy: -168.735253
where:
bonds (distance) C4'-P energy: -31.728
bonds (distance) P-C4' energy: -32.222
flat angles C4'-P-C4' energy: -36.307
flat angles P-C4'-P energy: -24.614
tors. eta vs tors. theta energy: -43.864
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: 6
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -532.138123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.138123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.138123 (E_RNA)
where:
Base-Base interactions energy: -365.976
where: short stacking energy: -166.892
Base-Backbone interact. energy: 1.873
local terms energy: -168.034964
where:
bonds (distance) C4'-P energy: -31.076
bonds (distance) P-C4' energy: -29.412
flat angles C4'-P-C4' energy: -33.088
flat angles P-C4'-P energy: -25.061
tors. eta vs tors. theta energy: -49.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -526.363601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.363601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.363601 (E_RNA)
where:
Base-Base interactions energy: -366.312
where: short stacking energy: -153.477
Base-Backbone interact. energy: -0.028
local terms energy: -160.023539
where:
bonds (distance) C4'-P energy: -33.053
bonds (distance) P-C4' energy: -25.937
flat angles C4'-P-C4' energy: -31.624
flat angles P-C4'-P energy: -23.626
tors. eta vs tors. theta energy: -45.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -408.641293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.641293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.641293 (E_RNA)
where:
Base-Base interactions energy: -270.137
where: short stacking energy: -140.545
Base-Backbone interact. energy: -0.018
local terms energy: -138.486703
where:
bonds (distance) C4'-P energy: -25.113
bonds (distance) P-C4' energy: -24.261
flat angles C4'-P-C4' energy: -30.386
flat angles P-C4'-P energy: -20.107
tors. eta vs tors. theta energy: -38.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -428.834512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.834512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.834512 (E_RNA)
where:
Base-Base interactions energy: -291.318
where: short stacking energy: -121.773
Base-Backbone interact. energy: -0.348
local terms energy: -137.168334
where:
bonds (distance) C4'-P energy: -28.136
bonds (distance) P-C4' energy: -30.627
flat angles C4'-P-C4' energy: -32.331
flat angles P-C4'-P energy: -16.679
tors. eta vs tors. theta energy: -29.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -331.323265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.323265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.323265 (E_RNA)
where:
Base-Base interactions energy: -214.490
where: short stacking energy: -99.423
Base-Backbone interact. energy: -0.315
local terms energy: -116.518307
where:
bonds (distance) C4'-P energy: -30.237
bonds (distance) P-C4' energy: -22.646
flat angles C4'-P-C4' energy: -28.130
flat angles P-C4'-P energy: -14.317
tors. eta vs tors. theta energy: -21.188
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: 10, replica: 9
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -277.739727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.739727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.739727 (E_RNA)
where:
Base-Base interactions energy: -160.544
where: short stacking energy: -76.385
Base-Backbone interact. energy: -0.177
local terms energy: -117.018953
where:
bonds (distance) C4'-P energy: -31.062
bonds (distance) P-C4' energy: -23.692
flat angles C4'-P-C4' energy: -24.587
flat angles P-C4'-P energy: -21.413
tors. eta vs tors. theta energy: -16.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -576.572436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.572436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.572436 (E_RNA)
where:
Base-Base interactions energy: -401.097
where: short stacking energy: -171.616
Base-Backbone interact. energy: -0.558
local terms energy: -174.917909
where:
bonds (distance) C4'-P energy: -29.178
bonds (distance) P-C4' energy: -31.521
flat angles C4'-P-C4' energy: -38.257
flat angles P-C4'-P energy: -24.563
tors. eta vs tors. theta energy: -51.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -555.285062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.285062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.285062 (E_RNA)
where:
Base-Base interactions energy: -388.735
where: short stacking energy: -168.439
Base-Backbone interact. energy: -0.085
local terms energy: -166.464941
where:
bonds (distance) C4'-P energy: -25.723
bonds (distance) P-C4' energy: -36.526
flat angles C4'-P-C4' energy: -33.678
flat angles P-C4'-P energy: -24.890
tors. eta vs tors. theta energy: -45.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -546.896804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.896804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.896804 (E_RNA)
where:
Base-Base interactions energy: -375.029
where: short stacking energy: -154.118
Base-Backbone interact. energy: -0.289
local terms energy: -171.578760
where:
bonds (distance) C4'-P energy: -32.273
bonds (distance) P-C4' energy: -33.993
flat angles C4'-P-C4' energy: -36.831
flat angles P-C4'-P energy: -29.436
tors. eta vs tors. theta energy: -39.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -523.886327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.886327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.886327 (E_RNA)
where:
Base-Base interactions energy: -362.637
where: short stacking energy: -160.274
Base-Backbone interact. energy: -0.003
local terms energy: -161.245975
where:
bonds (distance) C4'-P energy: -31.228
bonds (distance) P-C4' energy: -25.907
flat angles C4'-P-C4' energy: -32.908
flat angles P-C4'-P energy: -23.724
tors. eta vs tors. theta energy: -47.479
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: 7
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -538.217034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.217034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.217034 (E_RNA)
where:
Base-Base interactions energy: -399.402
where: short stacking energy: -154.772
Base-Backbone interact. energy: -0.678
local terms energy: -138.136111
where:
bonds (distance) C4'-P energy: -22.719
bonds (distance) P-C4' energy: -24.614
flat angles C4'-P-C4' energy: -32.154
flat angles P-C4'-P energy: -19.517
tors. eta vs tors. theta energy: -39.132
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: 2
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -527.420681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.420681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.420681 (E_RNA)
where:
Base-Base interactions energy: -371.730
where: short stacking energy: -166.676
Base-Backbone interact. energy: -0.094
local terms energy: -155.597057
where:
bonds (distance) C4'-P energy: -30.353
bonds (distance) P-C4' energy: -27.768
flat angles C4'-P-C4' energy: -33.210
flat angles P-C4'-P energy: -18.272
tors. eta vs tors. theta energy: -45.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -386.886546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.886546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.886546 (E_RNA)
where:
Base-Base interactions energy: -256.975
where: short stacking energy: -131.476
Base-Backbone interact. energy: -0.432
local terms energy: -129.479523
where:
bonds (distance) C4'-P energy: -25.962
bonds (distance) P-C4' energy: -26.899
flat angles C4'-P-C4' energy: -30.265
flat angles P-C4'-P energy: -19.913
tors. eta vs tors. theta energy: -26.441
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: 10
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -414.479032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.479032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.479032 (E_RNA)
where:
Base-Base interactions energy: -289.885
where: short stacking energy: -122.340
Base-Backbone interact. energy: -0.282
local terms energy: -124.312790
where:
bonds (distance) C4'-P energy: -21.968
bonds (distance) P-C4' energy: -25.730
flat angles C4'-P-C4' energy: -29.362
flat angles P-C4'-P energy: -14.688
tors. eta vs tors. theta energy: -32.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -338.608212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.608212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.608212 (E_RNA)
where:
Base-Base interactions energy: -212.640
where: short stacking energy: -103.956
Base-Backbone interact. energy: -0.348
local terms energy: -125.619483
where:
bonds (distance) C4'-P energy: -29.016
bonds (distance) P-C4' energy: -28.442
flat angles C4'-P-C4' energy: -32.410
flat angles P-C4'-P energy: -16.071
tors. eta vs tors. theta energy: -19.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -266.657545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.657545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.657545 (E_RNA)
where:
Base-Base interactions energy: -155.038
where: short stacking energy: -85.711
Base-Backbone interact. energy: -0.552
local terms energy: -111.067759
where:
bonds (distance) C4'-P energy: -28.973
bonds (distance) P-C4' energy: -27.569
flat angles C4'-P-C4' energy: -26.562
flat angles P-C4'-P energy: -15.480
tors. eta vs tors. theta energy: -12.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -583.662967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.662967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.662967 (E_RNA)
where:
Base-Base interactions energy: -404.716
where: short stacking energy: -176.547
Base-Backbone interact. energy: -0.194
local terms energy: -178.753157
where:
bonds (distance) C4'-P energy: -31.966
bonds (distance) P-C4' energy: -31.805
flat angles C4'-P-C4' energy: -35.684
flat angles P-C4'-P energy: -26.017
tors. eta vs tors. theta energy: -53.281
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: 2, replica: 8
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -564.217539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.217539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.217539 (E_RNA)
where:
Base-Base interactions energy: -391.075
where: short stacking energy: -172.289
Base-Backbone interact. energy: -0.985
local terms energy: -172.157245
where:
bonds (distance) C4'-P energy: -28.254
bonds (distance) P-C4' energy: -34.270
flat angles C4'-P-C4' energy: -36.160
flat angles P-C4'-P energy: -23.909
tors. eta vs tors. theta energy: -49.564
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: 3, replica: 6
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -551.213240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.213240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.213240 (E_RNA)
where:
Base-Base interactions energy: -377.810
where: short stacking energy: -182.767
Base-Backbone interact. energy: -0.709
local terms energy: -172.693995
where:
bonds (distance) C4'-P energy: -30.028
bonds (distance) P-C4' energy: -25.923
flat angles C4'-P-C4' energy: -38.632
flat angles P-C4'-P energy: -28.666
tors. eta vs tors. theta energy: -49.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -525.545534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.545534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.545534 (E_RNA)
where:
Base-Base interactions energy: -373.961
where: short stacking energy: -145.493
Base-Backbone interact. energy: 1.912
local terms energy: -153.496882
where:
bonds (distance) C4'-P energy: -33.976
bonds (distance) P-C4' energy: -30.916
flat angles C4'-P-C4' energy: -34.606
flat angles P-C4'-P energy: -15.585
tors. eta vs tors. theta energy: -38.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -533.879996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.879996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.879996 (E_RNA)
where:
Base-Base interactions energy: -374.363
where: short stacking energy: -171.535
Base-Backbone interact. energy: -0.490
local terms energy: -159.026710
where:
bonds (distance) C4'-P energy: -25.120
bonds (distance) P-C4' energy: -28.034
flat angles C4'-P-C4' energy: -35.580
flat angles P-C4'-P energy: -23.593
tors. eta vs tors. theta energy: -46.699
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: 7
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -516.634917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.634917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.634917 (E_RNA)
where:
Base-Base interactions energy: -363.035
where: short stacking energy: -145.330
Base-Backbone interact. energy: -0.236
local terms energy: -153.364080
where:
bonds (distance) C4'-P energy: -33.789
bonds (distance) P-C4' energy: -26.748
flat angles C4'-P-C4' energy: -33.083
flat angles P-C4'-P energy: -21.537
tors. eta vs tors. theta energy: -38.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -383.718586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.718586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.718586 (E_RNA)
where:
Base-Base interactions energy: -267.681
where: short stacking energy: -114.141
Base-Backbone interact. energy: 0.305
local terms energy: -116.343220
where:
bonds (distance) C4'-P energy: -20.049
bonds (distance) P-C4' energy: -35.747
flat angles C4'-P-C4' energy: -28.383
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -20.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -384.275124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.275124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.275124 (E_RNA)
where:
Base-Base interactions energy: -253.693
where: short stacking energy: -112.629
Base-Backbone interact. energy: 1.359
local terms energy: -131.940946
where:
bonds (distance) C4'-P energy: -28.626
bonds (distance) P-C4' energy: -32.448
flat angles C4'-P-C4' energy: -26.189
flat angles P-C4'-P energy: -19.183
tors. eta vs tors. theta energy: -25.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -357.910452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.910452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.910452 (E_RNA)
where:
Base-Base interactions energy: -242.460
where: short stacking energy: -107.589
Base-Backbone interact. energy: 1.287
local terms energy: -116.737221
where:
bonds (distance) C4'-P energy: -21.857
bonds (distance) P-C4' energy: -25.839
flat angles C4'-P-C4' energy: -31.294
flat angles P-C4'-P energy: -18.446
tors. eta vs tors. theta energy: -19.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -257.738567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.738567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.738567 (E_RNA)
where:
Base-Base interactions energy: -139.905
where: short stacking energy: -80.310
Base-Backbone interact. energy: -0.148
local terms energy: -117.684979
where:
bonds (distance) C4'-P energy: -28.894
bonds (distance) P-C4' energy: -29.956
flat angles C4'-P-C4' energy: -24.893
flat angles P-C4'-P energy: -18.815
tors. eta vs tors. theta energy: -15.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -574.130740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.130740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.130740 (E_RNA)
where:
Base-Base interactions energy: -388.934
where: short stacking energy: -171.929
Base-Backbone interact. energy: -0.211
local terms energy: -184.985159
where:
bonds (distance) C4'-P energy: -34.900
bonds (distance) P-C4' energy: -36.379
flat angles C4'-P-C4' energy: -37.059
flat angles P-C4'-P energy: -25.224
tors. eta vs tors. theta energy: -51.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -570.140792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.140792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.140792 (E_RNA)
where:
Base-Base interactions energy: -384.161
where: short stacking energy: -181.830
Base-Backbone interact. energy: -1.218
local terms energy: -184.762150
where:
bonds (distance) C4'-P energy: -31.683
bonds (distance) P-C4' energy: -34.545
flat angles C4'-P-C4' energy: -41.579
flat angles P-C4'-P energy: -26.183
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: 3, replica: 8
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -550.874527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.874527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.874527 (E_RNA)
where:
Base-Base interactions energy: -386.667
where: short stacking energy: -163.752
Base-Backbone interact. energy: 0.239
local terms energy: -164.447004
where:
bonds (distance) C4'-P energy: -28.039
bonds (distance) P-C4' energy: -32.872
flat angles C4'-P-C4' energy: -29.586
flat angles P-C4'-P energy: -27.202
tors. eta vs tors. theta energy: -46.748
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: 4, replica: 2
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -561.550744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.550744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.550744 (E_RNA)
where:
Base-Base interactions energy: -396.311
where: short stacking energy: -175.519
Base-Backbone interact. energy: -0.499
local terms energy: -164.740490
where:
bonds (distance) C4'-P energy: -31.439
bonds (distance) P-C4' energy: -30.351
flat angles C4'-P-C4' energy: -31.492
flat angles P-C4'-P energy: -22.369
tors. eta vs tors. theta energy: -49.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -520.605788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.605788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.605788 (E_RNA)
where:
Base-Base interactions energy: -376.299
where: short stacking energy: -140.352
Base-Backbone interact. energy: 0.014
local terms energy: -144.321296
where:
bonds (distance) C4'-P energy: -24.132
bonds (distance) P-C4' energy: -33.677
flat angles C4'-P-C4' energy: -25.252
flat angles P-C4'-P energy: -26.459
tors. eta vs tors. theta energy: -34.802
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: 7
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -518.350305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.350305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.350305 (E_RNA)
where:
Base-Base interactions energy: -385.621
where: short stacking energy: -150.820
Base-Backbone interact. energy: 1.710
local terms energy: -134.439342
where:
bonds (distance) C4'-P energy: -26.266
bonds (distance) P-C4' energy: -23.685
flat angles C4'-P-C4' energy: -33.517
flat angles P-C4'-P energy: -13.827
tors. eta vs tors. theta energy: -37.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -380.209072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.209072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.209072 (E_RNA)
where:
Base-Base interactions energy: -248.662
where: short stacking energy: -115.325
Base-Backbone interact. energy: -0.405
local terms energy: -131.142257
where:
bonds (distance) C4'-P energy: -27.835
bonds (distance) P-C4' energy: -32.241
flat angles C4'-P-C4' energy: -30.617
flat angles P-C4'-P energy: -17.781
tors. eta vs tors. theta energy: -22.669
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: 3
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -374.200545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.200545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.200545 (E_RNA)
where:
Base-Base interactions energy: -255.367
where: short stacking energy: -111.766
Base-Backbone interact. energy: 0.631
local terms energy: -119.464645
where:
bonds (distance) C4'-P energy: -26.322
bonds (distance) P-C4' energy: -24.742
flat angles C4'-P-C4' energy: -32.448
flat angles P-C4'-P energy: -17.608
tors. eta vs tors. theta energy: -18.345
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: 9, replica: 4
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -387.776951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.776951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.776951 (E_RNA)
where:
Base-Base interactions energy: -261.185
where: short stacking energy: -122.528
Base-Backbone interact. energy: 2.650
local terms energy: -129.241738
where:
bonds (distance) C4'-P energy: -28.555
bonds (distance) P-C4' energy: -30.643
flat angles C4'-P-C4' energy: -24.308
flat angles P-C4'-P energy: -18.592
tors. eta vs tors. theta energy: -27.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -260.091087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.091087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.091087 (E_RNA)
where:
Base-Base interactions energy: -136.425
where: short stacking energy: -71.980
Base-Backbone interact. energy: -0.683
local terms energy: -122.982695
where:
bonds (distance) C4'-P energy: -27.842
bonds (distance) P-C4' energy: -32.633
flat angles C4'-P-C4' energy: -27.734
flat angles P-C4'-P energy: -19.772
tors. eta vs tors. theta energy: -15.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -576.889387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.889387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.889387 (E_RNA)
where:
Base-Base interactions energy: -392.949
where: short stacking energy: -183.743
Base-Backbone interact. energy: -1.187
local terms energy: -182.753832
where:
bonds (distance) C4'-P energy: -29.171
bonds (distance) P-C4' energy: -33.461
flat angles C4'-P-C4' energy: -36.800
flat angles P-C4'-P energy: -28.643
tors. eta vs tors. theta energy: -54.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -565.253212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.253212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.253212 (E_RNA)
where:
Base-Base interactions energy: -382.479
where: short stacking energy: -182.410
Base-Backbone interact. energy: -0.022
local terms energy: -182.751558
where:
bonds (distance) C4'-P energy: -36.590
bonds (distance) P-C4' energy: -34.140
flat angles C4'-P-C4' energy: -32.698
flat angles P-C4'-P energy: -30.031
tors. eta vs tors. theta energy: -49.293
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: 3, replica: 2
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -561.825886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.825886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.825886 (E_RNA)
where:
Base-Base interactions energy: -391.498
where: short stacking energy: -165.375
Base-Backbone interact. energy: -0.984
local terms energy: -169.343916
where:
bonds (distance) C4'-P energy: -30.468
bonds (distance) P-C4' energy: -31.857
flat angles C4'-P-C4' energy: -33.153
flat angles P-C4'-P energy: -26.969
tors. eta vs tors. theta energy: -46.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -544.720941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.720941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.720941 (E_RNA)
where:
Base-Base interactions energy: -382.239
where: short stacking energy: -165.885
Base-Backbone interact. energy: -1.083
local terms energy: -161.399206
where:
bonds (distance) C4'-P energy: -28.561
bonds (distance) P-C4' energy: -32.938
flat angles C4'-P-C4' energy: -32.699
flat angles P-C4'-P energy: -23.377
tors. eta vs tors. theta energy: -43.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -518.667795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.667795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.667795 (E_RNA)
where:
Base-Base interactions energy: -368.140
where: short stacking energy: -150.466
Base-Backbone interact. energy: -0.059
local terms energy: -150.468841
where:
bonds (distance) C4'-P energy: -28.540
bonds (distance) P-C4' energy: -30.596
flat angles C4'-P-C4' energy: -31.233
flat angles P-C4'-P energy: -19.918
tors. eta vs tors. theta energy: -40.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -504.101620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.101620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.101620 (E_RNA)
where:
Base-Base interactions energy: -364.095
where: short stacking energy: -142.908
Base-Backbone interact. energy: -0.017
local terms energy: -139.989561
where:
bonds (distance) C4'-P energy: -24.798
bonds (distance) P-C4' energy: -26.851
flat angles C4'-P-C4' energy: -26.677
flat angles P-C4'-P energy: -24.914
tors. eta vs tors. theta energy: -36.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -377.167685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.167685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.167685 (E_RNA)
where:
Base-Base interactions energy: -250.168
where: short stacking energy: -119.683
Base-Backbone interact. energy: -0.312
local terms energy: -126.687700
where:
bonds (distance) C4'-P energy: -25.461
bonds (distance) P-C4' energy: -24.928
flat angles C4'-P-C4' energy: -31.373
flat angles P-C4'-P energy: -18.770
tors. eta vs tors. theta energy: -26.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -396.015490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.015490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.015490 (E_RNA)
where:
Base-Base interactions energy: -269.857
where: short stacking energy: -114.702
Base-Backbone interact. energy: -1.195
local terms energy: -124.963488
where:
bonds (distance) C4'-P energy: -23.635
bonds (distance) P-C4' energy: -29.057
flat angles C4'-P-C4' energy: -28.052
flat angles P-C4'-P energy: -20.389
tors. eta vs tors. theta energy: -23.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -383.142639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.142639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.142639 (E_RNA)
where:
Base-Base interactions energy: -256.982
where: short stacking energy: -129.089
Base-Backbone interact. energy: -0.549
local terms energy: -125.611062
where:
bonds (distance) C4'-P energy: -18.587
bonds (distance) P-C4' energy: -28.356
flat angles C4'-P-C4' energy: -32.412
flat angles P-C4'-P energy: -18.777
tors. eta vs tors. theta energy: -27.478
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: 112
Temperature: 1.350000
Total energy: -246.448499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.448499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.448499 (E_RNA)
where:
Base-Base interactions energy: -138.500
where: short stacking energy: -64.074
Base-Backbone interact. energy: -0.262
local terms energy: -107.686755
where:
bonds (distance) C4'-P energy: -30.444
bonds (distance) P-C4' energy: -31.171
flat angles C4'-P-C4' energy: -28.352
flat angles P-C4'-P energy: -19.481
tors. eta vs tors. theta energy: 1.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -575.780578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.780578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.780578 (E_RNA)
where:
Base-Base interactions energy: -401.302
where: short stacking energy: -190.655
Base-Backbone interact. energy: 1.606
local terms energy: -176.084829
where:
bonds (distance) C4'-P energy: -28.549
bonds (distance) P-C4' energy: -31.782
flat angles C4'-P-C4' energy: -38.660
flat angles P-C4'-P energy: -23.777
tors. eta vs tors. theta energy: -53.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -580.464899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.464899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.464899 (E_RNA)
where:
Base-Base interactions energy: -405.819
where: short stacking energy: -182.049
Base-Backbone interact. energy: -0.091
local terms energy: -174.554459
where:
bonds (distance) C4'-P energy: -33.625
bonds (distance) P-C4' energy: -30.117
flat angles C4'-P-C4' energy: -33.737
flat angles P-C4'-P energy: -26.083
tors. eta vs tors. theta energy: -50.992
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: 6
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -540.518725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.518725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.518725 (E_RNA)
where:
Base-Base interactions energy: -377.834
where: short stacking energy: -170.771
Base-Backbone interact. energy: -0.524
local terms energy: -162.160558
where:
bonds (distance) C4'-P energy: -26.816
bonds (distance) P-C4' energy: -29.228
flat angles C4'-P-C4' energy: -33.141
flat angles P-C4'-P energy: -26.596
tors. eta vs tors. theta energy: -46.379
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: 7
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -529.252081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.252081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.252081 (E_RNA)
where:
Base-Base interactions energy: -368.127
where: short stacking energy: -159.862
Base-Backbone interact. energy: -0.274
local terms energy: -160.850431
where:
bonds (distance) C4'-P energy: -33.117
bonds (distance) P-C4' energy: -30.208
flat angles C4'-P-C4' energy: -35.230
flat angles P-C4'-P energy: -19.540
tors. eta vs tors. theta energy: -42.756
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: 8
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -529.914362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.914362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.914362 (E_RNA)
where:
Base-Base interactions energy: -369.142
where: short stacking energy: -159.060
Base-Backbone interact. energy: -0.639
local terms energy: -160.133090
where:
bonds (distance) C4'-P energy: -23.478
bonds (distance) P-C4' energy: -31.201
flat angles C4'-P-C4' energy: -32.283
flat angles P-C4'-P energy: -28.524
tors. eta vs tors. theta energy: -44.647
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: 6, replica: 1
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -507.492759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.492759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.492759 (E_RNA)
where:
Base-Base interactions energy: -356.327
where: short stacking energy: -137.532
Base-Backbone interact. energy: -1.672
local terms energy: -149.493819
where:
bonds (distance) C4'-P energy: -26.287
bonds (distance) P-C4' energy: -34.387
flat angles C4'-P-C4' energy: -35.467
flat angles P-C4'-P energy: -18.162
tors. eta vs tors. theta energy: -35.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -403.443250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.443250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.443250 (E_RNA)
where:
Base-Base interactions energy: -259.149
where: short stacking energy: -128.654
Base-Backbone interact. energy: -0.277
local terms energy: -144.016438
where:
bonds (distance) C4'-P energy: -23.981
bonds (distance) P-C4' energy: -32.318
flat angles C4'-P-C4' energy: -28.167
flat angles P-C4'-P energy: -22.570
tors. eta vs tors. theta energy: -36.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -373.739153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.739153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.739153 (E_RNA)
where:
Base-Base interactions energy: -245.879
where: short stacking energy: -103.746
Base-Backbone interact. energy: 2.989
local terms energy: -130.849215
where:
bonds (distance) C4'-P energy: -31.463
bonds (distance) P-C4' energy: -28.743
flat angles C4'-P-C4' energy: -30.905
flat angles P-C4'-P energy: -21.033
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: 9, replica: 10
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -363.474148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.474148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.474148 (E_RNA)
where:
Base-Base interactions energy: -240.945
where: short stacking energy: -108.028
Base-Backbone interact. energy: 1.634
local terms energy: -124.162694
where:
bonds (distance) C4'-P energy: -31.288
bonds (distance) P-C4' energy: -24.504
flat angles C4'-P-C4' energy: -25.498
flat angles P-C4'-P energy: -18.116
tors. eta vs tors. theta energy: -24.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -253.349502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.349502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.349502 (E_RNA)
where:
Base-Base interactions energy: -135.943
where: short stacking energy: -79.334
Base-Backbone interact. energy: -0.352
local terms energy: -117.054433
where:
bonds (distance) C4'-P energy: -28.868
bonds (distance) P-C4' energy: -32.535
flat angles C4'-P-C4' energy: -33.182
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -10.244
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: 2
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -586.173147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.173147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.173147 (E_RNA)
where:
Base-Base interactions energy: -410.427
where: short stacking energy: -184.800
Base-Backbone interact. energy: -0.045
local terms energy: -175.701850
where:
bonds (distance) C4'-P energy: -29.934
bonds (distance) P-C4' energy: -34.639
flat angles C4'-P-C4' energy: -35.027
flat angles P-C4'-P energy: -27.349
tors. eta vs tors. theta energy: -48.752
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: 2, replica: 5
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -563.473780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.473780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.473780 (E_RNA)
where:
Base-Base interactions energy: -398.480
where: short stacking energy: -174.786
Base-Backbone interact. energy: -0.766
local terms energy: -164.228040
where:
bonds (distance) C4'-P energy: -29.779
bonds (distance) P-C4' energy: -28.599
flat angles C4'-P-C4' energy: -32.436
flat angles P-C4'-P energy: -25.892
tors. eta vs tors. theta energy: -47.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -543.557321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.557321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.557321 (E_RNA)
where:
Base-Base interactions energy: -380.950
where: short stacking energy: -174.087
Base-Backbone interact. energy: -0.757
local terms energy: -161.850183
where:
bonds (distance) C4'-P energy: -30.095
bonds (distance) P-C4' energy: -28.776
flat angles C4'-P-C4' energy: -34.505
flat angles P-C4'-P energy: -21.339
tors. eta vs tors. theta energy: -47.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -539.975890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.975890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.975890 (E_RNA)
where:
Base-Base interactions energy: -374.234
where: short stacking energy: -156.379
Base-Backbone interact. energy: -0.452
local terms energy: -165.290487
where:
bonds (distance) C4'-P energy: -33.545
bonds (distance) P-C4' energy: -32.446
flat angles C4'-P-C4' energy: -33.501
flat angles P-C4'-P energy: -24.304
tors. eta vs tors. theta energy: -41.495
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: 1
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -525.028911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.028911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.028911 (E_RNA)
where:
Base-Base interactions energy: -362.329
where: short stacking energy: -145.561
Base-Backbone interact. energy: 1.083
local terms energy: -163.782692
where:
bonds (distance) C4'-P energy: -29.921
bonds (distance) P-C4' energy: -34.457
flat angles C4'-P-C4' energy: -35.582
flat angles P-C4'-P energy: -21.201
tors. eta vs tors. theta energy: -42.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -516.187990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.187990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.187990 (E_RNA)
where:
Base-Base interactions energy: -358.487
where: short stacking energy: -150.518
Base-Backbone interact. energy: 0.089
local terms energy: -157.790976
where:
bonds (distance) C4'-P energy: -29.711
bonds (distance) P-C4' energy: -30.431
flat angles C4'-P-C4' energy: -30.599
flat angles P-C4'-P energy: -24.459
tors. eta vs tors. theta energy: -42.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -429.615938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.615938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.615938 (E_RNA)
where:
Base-Base interactions energy: -293.606
where: short stacking energy: -126.601
Base-Backbone interact. energy: -0.144
local terms energy: -135.865670
where:
bonds (distance) C4'-P energy: -26.273
bonds (distance) P-C4' energy: -22.939
flat angles C4'-P-C4' energy: -28.830
flat angles P-C4'-P energy: -25.061
tors. eta vs tors. theta energy: -32.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -379.415495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.415495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.415495 (E_RNA)
where:
Base-Base interactions energy: -265.850
where: short stacking energy: -124.217
Base-Backbone interact. energy: -0.312
local terms energy: -113.254041
where:
bonds (distance) C4'-P energy: -23.133
bonds (distance) P-C4' energy: -23.378
flat angles C4'-P-C4' energy: -26.802
flat angles P-C4'-P energy: -20.297
tors. eta vs tors. theta energy: -19.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -337.807768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.807768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.807768 (E_RNA)
where:
Base-Base interactions energy: -217.534
where: short stacking energy: -87.239
Base-Backbone interact. energy: -0.711
local terms energy: -119.562940
where:
bonds (distance) C4'-P energy: -27.848
bonds (distance) P-C4' energy: -26.272
flat angles C4'-P-C4' energy: -25.924
flat angles P-C4'-P energy: -16.231
tors. eta vs tors. theta energy: -23.288
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: 10, replica: 9
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -254.957783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.957783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.957783 (E_RNA)
where:
Base-Base interactions energy: -150.406
where: short stacking energy: -81.092
Base-Backbone interact. energy: 1.188
local terms energy: -105.740419
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -30.590
flat angles C4'-P-C4' energy: -26.803
flat angles P-C4'-P energy: -18.871
tors. eta vs tors. theta energy: -13.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -587.142947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.142947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.142947 (E_RNA)
where:
Base-Base interactions energy: -404.744
where: short stacking energy: -178.377
Base-Backbone interact. energy: -0.258
local terms energy: -182.141604
where:
bonds (distance) C4'-P energy: -32.325
bonds (distance) P-C4' energy: -38.433
flat angles C4'-P-C4' energy: -35.528
flat angles P-C4'-P energy: -27.498
tors. eta vs tors. theta energy: -48.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -558.429732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.429732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.429732 (E_RNA)
where:
Base-Base interactions energy: -379.031
where: short stacking energy: -174.077
Base-Backbone interact. energy: -0.301
local terms energy: -179.097266
where:
bonds (distance) C4'-P energy: -31.839
bonds (distance) P-C4' energy: -33.590
flat angles C4'-P-C4' energy: -37.490
flat angles P-C4'-P energy: -23.924
tors. eta vs tors. theta energy: -52.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -566.565263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.565263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.565263 (E_RNA)
where:
Base-Base interactions energy: -396.316
where: short stacking energy: -171.437
Base-Backbone interact. energy: 3.666
local terms energy: -173.915481
where:
bonds (distance) C4'-P energy: -32.931
bonds (distance) P-C4' energy: -30.071
flat angles C4'-P-C4' energy: -40.949
flat angles P-C4'-P energy: -21.378
tors. eta vs tors. theta energy: -48.586
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: 1
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -532.751488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.751488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.751488 (E_RNA)
where:
Base-Base interactions energy: -390.556
where: short stacking energy: -154.804
Base-Backbone interact. energy: 0.483
local terms energy: -142.678331
where:
bonds (distance) C4'-P energy: -24.908
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -30.879
flat angles P-C4'-P energy: -28.078
tors. eta vs tors. theta energy: -40.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -543.189180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.189180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.189180 (E_RNA)
where:
Base-Base interactions energy: -371.644
where: short stacking energy: -157.437
Base-Backbone interact. energy: 0.017
local terms energy: -171.562104
where:
bonds (distance) C4'-P energy: -28.368
bonds (distance) P-C4' energy: -33.049
flat angles C4'-P-C4' energy: -37.274
flat angles P-C4'-P energy: -27.856
tors. eta vs tors. theta energy: -45.015
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: 8
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -521.839944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.839944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.839944 (E_RNA)
where:
Base-Base interactions energy: -369.712
where: short stacking energy: -152.246
Base-Backbone interact. energy: -0.021
local terms energy: -152.106600
where:
bonds (distance) C4'-P energy: -25.907
bonds (distance) P-C4' energy: -30.948
flat angles C4'-P-C4' energy: -34.485
flat angles P-C4'-P energy: -21.181
tors. eta vs tors. theta energy: -39.586
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: 3
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -443.327129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.327129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.327129 (E_RNA)
where:
Base-Base interactions energy: -301.613
where: short stacking energy: -120.081
Base-Backbone interact. energy: -0.380
local terms energy: -141.334157
where:
bonds (distance) C4'-P energy: -32.710
bonds (distance) P-C4' energy: -24.373
flat angles C4'-P-C4' energy: -32.240
flat angles P-C4'-P energy: -17.861
tors. eta vs tors. theta energy: -34.151
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: 8, replica: 10
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -356.817458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.817458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.817458 (E_RNA)
where:
Base-Base interactions energy: -237.236
where: short stacking energy: -96.172
Base-Backbone interact. energy: -0.248
local terms energy: -119.333832
where:
bonds (distance) C4'-P energy: -29.050
bonds (distance) P-C4' energy: -26.160
flat angles C4'-P-C4' energy: -30.735
flat angles P-C4'-P energy: -14.540
tors. eta vs tors. theta energy: -18.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -365.316666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.316666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.316666 (E_RNA)
where:
Base-Base interactions energy: -241.250
where: short stacking energy: -109.058
Base-Backbone interact. energy: -1.306
local terms energy: -122.760631
where:
bonds (distance) C4'-P energy: -32.076
bonds (distance) P-C4' energy: -26.251
flat angles C4'-P-C4' energy: -28.902
flat angles P-C4'-P energy: -14.569
tors. eta vs tors. theta energy: -20.962
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: 9
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -243.295400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.295400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.295400 (E_RNA)
where:
Base-Base interactions energy: -140.287
where: short stacking energy: -74.597
Base-Backbone interact. energy: -0.233
local terms energy: -102.774935
where:
bonds (distance) C4'-P energy: -22.733
bonds (distance) P-C4' energy: -33.693
flat angles C4'-P-C4' energy: -22.686
flat angles P-C4'-P energy: -15.025
tors. eta vs tors. theta energy: -8.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -583.970529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.970529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.970529 (E_RNA)
where:
Base-Base interactions energy: -402.179
where: short stacking energy: -178.937
Base-Backbone interact. energy: -0.520
local terms energy: -181.270935
where:
bonds (distance) C4'-P energy: -34.664
bonds (distance) P-C4' energy: -33.722
flat angles C4'-P-C4' energy: -36.350
flat angles P-C4'-P energy: -26.108
tors. eta vs tors. theta energy: -50.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -563.648392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.648392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.648392 (E_RNA)
where:
Base-Base interactions energy: -387.110
where: short stacking energy: -178.200
Base-Backbone interact. energy: -0.470
local terms energy: -176.068480
where:
bonds (distance) C4'-P energy: -33.427
bonds (distance) P-C4' energy: -32.270
flat angles C4'-P-C4' energy: -32.612
flat angles P-C4'-P energy: -24.278
tors. eta vs tors. theta energy: -53.481
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: 3, replica: 5
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -563.791750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.791750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.791750 (E_RNA)
where:
Base-Base interactions energy: -393.663
where: short stacking energy: -164.411
Base-Backbone interact. energy: 1.082
local terms energy: -171.210524
where:
bonds (distance) C4'-P energy: -31.454
bonds (distance) P-C4' energy: -33.379
flat angles C4'-P-C4' energy: -36.865
flat angles P-C4'-P energy: -27.060
tors. eta vs tors. theta energy: -42.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -530.715163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.715163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.715163 (E_RNA)
where:
Base-Base interactions energy: -371.097
where: short stacking energy: -147.335
Base-Backbone interact. energy: -1.837
local terms energy: -157.781262
where:
bonds (distance) C4'-P energy: -27.354
bonds (distance) P-C4' energy: -30.879
flat angles C4'-P-C4' energy: -33.303
flat angles P-C4'-P energy: -27.516
tors. eta vs tors. theta energy: -38.729
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: 7
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -536.453788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.453788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.453788 (E_RNA)
where:
Base-Base interactions energy: -380.824
where: short stacking energy: -158.653
Base-Backbone interact. energy: -0.204
local terms energy: -155.426165
where:
bonds (distance) C4'-P energy: -31.701
bonds (distance) P-C4' energy: -25.468
flat angles C4'-P-C4' energy: -31.143
flat angles P-C4'-P energy: -21.868
tors. eta vs tors. theta energy: -45.247
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: 8
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -531.225430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.225430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.225430 (E_RNA)
where:
Base-Base interactions energy: -375.266
where: short stacking energy: -153.639
Base-Backbone interact. energy: -0.823
local terms energy: -155.135692
where:
bonds (distance) C4'-P energy: -29.766
bonds (distance) P-C4' energy: -28.635
flat angles C4'-P-C4' energy: -29.841
flat angles P-C4'-P energy: -24.106
tors. eta vs tors. theta energy: -42.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -426.214948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.214948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.214948 (E_RNA)
where:
Base-Base interactions energy: -297.256
where: short stacking energy: -119.075
Base-Backbone interact. energy: 1.076
local terms energy: -130.034886
where:
bonds (distance) C4'-P energy: -25.867
bonds (distance) P-C4' energy: -21.903
flat angles C4'-P-C4' energy: -29.728
flat angles P-C4'-P energy: -18.242
tors. eta vs tors. theta energy: -34.295
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: 10
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -388.599589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.599589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.599589 (E_RNA)
where:
Base-Base interactions energy: -258.909
where: short stacking energy: -113.691
Base-Backbone interact. energy: 0.076
local terms energy: -129.766967
where:
bonds (distance) C4'-P energy: -28.817
bonds (distance) P-C4' energy: -25.535
flat angles C4'-P-C4' energy: -26.307
flat angles P-C4'-P energy: -21.905
tors. eta vs tors. theta energy: -27.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -396.176885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.176885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.176885 (E_RNA)
where:
Base-Base interactions energy: -264.233
where: short stacking energy: -116.240
Base-Backbone interact. energy: -1.196
local terms energy: -130.747429
where:
bonds (distance) C4'-P energy: -24.661
bonds (distance) P-C4' energy: -27.837
flat angles C4'-P-C4' energy: -33.652
flat angles P-C4'-P energy: -16.361
tors. eta vs tors. theta energy: -28.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -240.557114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.557114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.557114 (E_RNA)
where:
Base-Base interactions energy: -132.577
where: short stacking energy: -67.208
Base-Backbone interact. energy: -0.638
local terms energy: -107.341896
where:
bonds (distance) C4'-P energy: -26.229
bonds (distance) P-C4' energy: -18.734
flat angles C4'-P-C4' energy: -30.689
flat angles P-C4'-P energy: -20.383
tors. eta vs tors. theta energy: -11.306
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: 2
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -587.359161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.359161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.359161 (E_RNA)
where:
Base-Base interactions energy: -409.354
where: short stacking energy: -179.730
Base-Backbone interact. energy: -0.039
local terms energy: -177.966077
where:
bonds (distance) C4'-P energy: -34.835
bonds (distance) P-C4' energy: -33.992
flat angles C4'-P-C4' energy: -36.097
flat angles P-C4'-P energy: -24.666
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: 2, replica: 5
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -554.686940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.686940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.686940 (E_RNA)
where:
Base-Base interactions energy: -388.601
where: short stacking energy: -159.796
Base-Backbone interact. energy: -0.356
local terms energy: -165.730142
where:
bonds (distance) C4'-P energy: -28.666
bonds (distance) P-C4' energy: -31.331
flat angles C4'-P-C4' energy: -34.599
flat angles P-C4'-P energy: -30.268
tors. eta vs tors. theta energy: -40.866
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: 6
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -543.160541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.160541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.160541 (E_RNA)
where:
Base-Base interactions energy: -366.050
where: short stacking energy: -168.137
Base-Backbone interact. energy: -0.996
local terms energy: -176.114718
where:
bonds (distance) C4'-P energy: -30.185
bonds (distance) P-C4' energy: -36.335
flat angles C4'-P-C4' energy: -37.878
flat angles P-C4'-P energy: -23.497
tors. eta vs tors. theta energy: -48.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -539.927881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.927881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.927881 (E_RNA)
where:
Base-Base interactions energy: -391.330
where: short stacking energy: -162.823
Base-Backbone interact. energy: -0.611
local terms energy: -147.987398
where:
bonds (distance) C4'-P energy: -29.321
bonds (distance) P-C4' energy: -24.596
flat angles C4'-P-C4' energy: -32.690
flat angles P-C4'-P energy: -17.576
tors. eta vs tors. theta energy: -43.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -528.259998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.259998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.259998 (E_RNA)
where:
Base-Base interactions energy: -383.971
where: short stacking energy: -156.556
Base-Backbone interact. energy: 0.061
local terms energy: -144.349924
where:
bonds (distance) C4'-P energy: -29.887
bonds (distance) P-C4' energy: -24.826
flat angles C4'-P-C4' energy: -28.417
flat angles P-C4'-P energy: -22.030
tors. eta vs tors. theta energy: -39.189
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: 8
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -529.352107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.352107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.352107 (E_RNA)
where:
Base-Base interactions energy: -375.736
where: short stacking energy: -164.662
Base-Backbone interact. energy: 0.171
local terms energy: -153.786654
where:
bonds (distance) C4'-P energy: -26.583
bonds (distance) P-C4' energy: -27.284
flat angles C4'-P-C4' energy: -35.540
flat angles P-C4'-P energy: -18.921
tors. eta vs tors. theta energy: -45.458
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: 7, replica: 3
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -429.726486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.726486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.726486 (E_RNA)
where:
Base-Base interactions energy: -293.111
where: short stacking energy: -133.530
Base-Backbone interact. energy: 3.019
local terms energy: -139.634376
where:
bonds (distance) C4'-P energy: -27.033
bonds (distance) P-C4' energy: -29.729
flat angles C4'-P-C4' energy: -28.429
flat angles P-C4'-P energy: -22.672
tors. eta vs tors. theta energy: -31.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -398.505455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.505455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.505455 (E_RNA)
where:
Base-Base interactions energy: -266.562
where: short stacking energy: -115.521
Base-Backbone interact. energy: -1.105
local terms energy: -130.838467
where:
bonds (distance) C4'-P energy: -27.981
bonds (distance) P-C4' energy: -28.584
flat angles C4'-P-C4' energy: -32.411
flat angles P-C4'-P energy: -16.599
tors. eta vs tors. theta energy: -25.264
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: 9, replica: 10
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -348.547001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.547001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.547001 (E_RNA)
where:
Base-Base interactions energy: -228.607
where: short stacking energy: -92.754
Base-Backbone interact. energy: -0.739
local terms energy: -119.201577
where:
bonds (distance) C4'-P energy: -23.310
bonds (distance) P-C4' energy: -28.079
flat angles C4'-P-C4' energy: -29.431
flat angles P-C4'-P energy: -22.607
tors. eta vs tors. theta energy: -15.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -258.931482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.931482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.931482 (E_RNA)
where:
Base-Base interactions energy: -146.393
where: short stacking energy: -73.377
Base-Backbone interact. energy: -0.899
local terms energy: -111.639385
where:
bonds (distance) C4'-P energy: -28.266
bonds (distance) P-C4' energy: -24.641
flat angles C4'-P-C4' energy: -34.514
flat angles P-C4'-P energy: -16.560
tors. eta vs tors. theta energy: -7.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -571.507243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.507243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.507243 (E_RNA)
where:
Base-Base interactions energy: -407.018
where: short stacking energy: -169.993
Base-Backbone interact. energy: -0.193
local terms energy: -164.296725
where:
bonds (distance) C4'-P energy: -26.579
bonds (distance) P-C4' energy: -27.009
flat angles C4'-P-C4' energy: -38.642
flat angles P-C4'-P energy: -26.433
tors. eta vs tors. theta energy: -45.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -576.955437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.955437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.955437 (E_RNA)
where:
Base-Base interactions energy: -409.200
where: short stacking energy: -181.089
Base-Backbone interact. energy: -0.863
local terms energy: -166.892728
where:
bonds (distance) C4'-P energy: -23.918
bonds (distance) P-C4' energy: -26.588
flat angles C4'-P-C4' energy: -35.552
flat angles P-C4'-P energy: -27.999
tors. eta vs tors. theta energy: -52.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -547.738050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.738050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.738050 (E_RNA)
where:
Base-Base interactions energy: -368.991
where: short stacking energy: -167.814
Base-Backbone interact. energy: -0.136
local terms energy: -178.611295
where:
bonds (distance) C4'-P energy: -30.939
bonds (distance) P-C4' energy: -35.693
flat angles C4'-P-C4' energy: -39.110
flat angles P-C4'-P energy: -26.248
tors. eta vs tors. theta energy: -46.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -552.352607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.352607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.352607 (E_RNA)
where:
Base-Base interactions energy: -382.463
where: short stacking energy: -156.338
Base-Backbone interact. energy: -0.702
local terms energy: -169.188270
where:
bonds (distance) C4'-P energy: -34.276
bonds (distance) P-C4' energy: -33.139
flat angles C4'-P-C4' energy: -32.147
flat angles P-C4'-P energy: -22.675
tors. eta vs tors. theta energy: -46.952
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: 8
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -526.112780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.112780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.112780 (E_RNA)
where:
Base-Base interactions energy: -369.957
where: short stacking energy: -161.605
Base-Backbone interact. energy: -0.239
local terms energy: -155.917128
where:
bonds (distance) C4'-P energy: -25.226
bonds (distance) P-C4' energy: -32.675
flat angles C4'-P-C4' energy: -34.109
flat angles P-C4'-P energy: -15.743
tors. eta vs tors. theta energy: -48.165
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: 1
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -511.439322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.439322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.439322 (E_RNA)
where:
Base-Base interactions energy: -355.026
where: short stacking energy: -136.339
Base-Backbone interact. energy: -1.176
local terms energy: -155.238018
where:
bonds (distance) C4'-P energy: -26.703
bonds (distance) P-C4' energy: -31.591
flat angles C4'-P-C4' energy: -30.258
flat angles P-C4'-P energy: -25.904
tors. eta vs tors. theta energy: -40.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -383.378564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.378564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.378564 (E_RNA)
where:
Base-Base interactions energy: -247.228
where: short stacking energy: -131.036
Base-Backbone interact. energy: 0.272
local terms energy: -136.423178
where:
bonds (distance) C4'-P energy: -28.769
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -33.968
flat angles P-C4'-P energy: -17.325
tors. eta vs tors. theta energy: -29.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -429.910715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.910715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.910715 (E_RNA)
where:
Base-Base interactions energy: -298.225
where: short stacking energy: -142.944
Base-Backbone interact. energy: -1.020
local terms energy: -130.666375
where:
bonds (distance) C4'-P energy: -27.439
bonds (distance) P-C4' energy: -26.305
flat angles C4'-P-C4' energy: -31.033
flat angles P-C4'-P energy: -16.027
tors. eta vs tors. theta energy: -29.862
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: 118
Temperature: 1.300000
Total energy: -270.532978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.532978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.532978 (E_RNA)
where:
Base-Base interactions energy: -160.279
where: short stacking energy: -70.724
Base-Backbone interact. energy: -0.447
local terms energy: -109.807097
where:
bonds (distance) C4'-P energy: -24.586
bonds (distance) P-C4' energy: -31.130
flat angles C4'-P-C4' energy: -29.691
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -12.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -262.767841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.767841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.767841 (E_RNA)
where:
Base-Base interactions energy: -164.316
where: short stacking energy: -84.971
Base-Backbone interact. energy: -0.652
local terms energy: -97.799761
where:
bonds (distance) C4'-P energy: -27.162
bonds (distance) P-C4' energy: -28.040
flat angles C4'-P-C4' energy: -19.863
flat angles P-C4'-P energy: -14.631
tors. eta vs tors. theta energy: -8.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -575.072776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.072776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.072776 (E_RNA)
where:
Base-Base interactions energy: -403.780
where: short stacking energy: -170.408
Base-Backbone interact. energy: -1.233
local terms energy: -170.060080
where:
bonds (distance) C4'-P energy: -31.965
bonds (distance) P-C4' energy: -31.466
flat angles C4'-P-C4' energy: -35.616
flat angles P-C4'-P energy: -24.069
tors. eta vs tors. theta energy: -46.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -570.307057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.307057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.307057 (E_RNA)
where:
Base-Base interactions energy: -401.407
where: short stacking energy: -177.508
Base-Backbone interact. energy: -1.013
local terms energy: -167.887019
where:
bonds (distance) C4'-P energy: -31.337
bonds (distance) P-C4' energy: -31.215
flat angles C4'-P-C4' energy: -35.724
flat angles P-C4'-P energy: -22.393
tors. eta vs tors. theta energy: -47.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -543.856443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.856443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.856443 (E_RNA)
where:
Base-Base interactions energy: -371.407
where: short stacking energy: -172.030
Base-Backbone interact. energy: 2.414
local terms energy: -174.863342
where:
bonds (distance) C4'-P energy: -31.216
bonds (distance) P-C4' energy: -28.880
flat angles C4'-P-C4' energy: -40.660
flat angles P-C4'-P energy: -24.362
tors. eta vs tors. theta energy: -49.745
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: 8
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -539.143862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.143862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.143862 (E_RNA)
where:
Base-Base interactions energy: -387.777
where: short stacking energy: -169.562
Base-Backbone interact. energy: -0.475
local terms energy: -150.892183
where:
bonds (distance) C4'-P energy: -20.374
bonds (distance) P-C4' energy: -31.063
flat angles C4'-P-C4' energy: -34.136
flat angles P-C4'-P energy: -20.856
tors. eta vs tors. theta energy: -44.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -541.585165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.585165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.585165 (E_RNA)
where:
Base-Base interactions energy: -386.398
where: short stacking energy: -143.748
Base-Backbone interact. energy: -1.161
local terms energy: -154.026655
where:
bonds (distance) C4'-P energy: -31.133
bonds (distance) P-C4' energy: -27.951
flat angles C4'-P-C4' energy: -31.372
flat angles P-C4'-P energy: -22.200
tors. eta vs tors. theta energy: -41.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -519.989603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.989603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.989603 (E_RNA)
where:
Base-Base interactions energy: -374.041
where: short stacking energy: -148.817
Base-Backbone interact. energy: -0.641
local terms energy: -145.307549
where:
bonds (distance) C4'-P energy: -20.107
bonds (distance) P-C4' energy: -32.459
flat angles C4'-P-C4' energy: -35.284
flat angles P-C4'-P energy: -17.701
tors. eta vs tors. theta energy: -39.757
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: 7, replica: 3
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -378.259605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.259605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.259605 (E_RNA)
where:
Base-Base interactions energy: -239.679
where: short stacking energy: -112.068
Base-Backbone interact. energy: 1.541
local terms energy: -140.121394
where:
bonds (distance) C4'-P energy: -32.068
bonds (distance) P-C4' energy: -27.429
flat angles C4'-P-C4' energy: -34.854
flat angles P-C4'-P energy: -21.485
tors. eta vs tors. theta energy: -24.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -466.886740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.886740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.886740 (E_RNA)
where:
Base-Base interactions energy: -330.962
where: short stacking energy: -133.256
Base-Backbone interact. energy: -0.239
local terms energy: -135.685827
where:
bonds (distance) C4'-P energy: -30.279
bonds (distance) P-C4' energy: -24.326
flat angles C4'-P-C4' energy: -32.500
flat angles P-C4'-P energy: -22.843
tors. eta vs tors. theta energy: -25.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -287.127452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.127452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.127452 (E_RNA)
where:
Base-Base interactions energy: -176.339
where: short stacking energy: -88.167
Base-Backbone interact. energy: 0.537
local terms energy: -111.324721
where:
bonds (distance) C4'-P energy: -19.772
bonds (distance) P-C4' energy: -30.143
flat angles C4'-P-C4' energy: -29.105
flat angles P-C4'-P energy: -15.155
tors. eta vs tors. theta energy: -17.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -233.875621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.875621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.875621 (E_RNA)
where:
Base-Base interactions energy: -144.158
where: short stacking energy: -71.166
Base-Backbone interact. energy: -0.334
local terms energy: -89.384561
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -25.163
flat angles C4'-P-C4' energy: -33.864
flat angles P-C4'-P energy: -8.175
tors. eta vs tors. theta energy: -6.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -580.312267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.312267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.312267 (E_RNA)
where:
Base-Base interactions energy: -408.296
where: short stacking energy: -178.632
Base-Backbone interact. energy: -0.032
local terms energy: -171.984114
where:
bonds (distance) C4'-P energy: -31.687
bonds (distance) P-C4' energy: -31.542
flat angles C4'-P-C4' energy: -36.195
flat angles P-C4'-P energy: -23.631
tors. eta vs tors. theta energy: -48.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -566.473303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.473303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.473303 (E_RNA)
where:
Base-Base interactions energy: -406.956
where: short stacking energy: -172.460
Base-Backbone interact. energy: -0.390
local terms energy: -159.127302
where:
bonds (distance) C4'-P energy: -30.246
bonds (distance) P-C4' energy: -31.416
flat angles C4'-P-C4' energy: -34.206
flat angles P-C4'-P energy: -20.233
tors. eta vs tors. theta energy: -43.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -548.932921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.932921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.932921 (E_RNA)
where:
Base-Base interactions energy: -383.314
where: short stacking energy: -174.301
Base-Backbone interact. energy: -0.069
local terms energy: -165.549780
where:
bonds (distance) C4'-P energy: -30.648
bonds (distance) P-C4' energy: -34.222
flat angles C4'-P-C4' energy: -33.946
flat angles P-C4'-P energy: -21.561
tors. eta vs tors. theta energy: -45.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -533.009608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.009608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.009608 (E_RNA)
where:
Base-Base interactions energy: -366.862
where: short stacking energy: -167.496
Base-Backbone interact. energy: -0.615
local terms energy: -165.533146
where:
bonds (distance) C4'-P energy: -32.644
bonds (distance) P-C4' energy: -26.702
flat angles C4'-P-C4' energy: -32.769
flat angles P-C4'-P energy: -26.159
tors. eta vs tors. theta energy: -47.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -539.315728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.315728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.315728 (E_RNA)
where:
Base-Base interactions energy: -383.779
where: short stacking energy: -157.672
Base-Backbone interact. energy: -0.699
local terms energy: -154.837707
where:
bonds (distance) C4'-P energy: -26.327
bonds (distance) P-C4' energy: -29.129
flat angles C4'-P-C4' energy: -34.171
flat angles P-C4'-P energy: -18.933
tors. eta vs tors. theta energy: -46.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -472.239472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.239472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.239472 (E_RNA)
where:
Base-Base interactions energy: -339.409
where: short stacking energy: -144.753
Base-Backbone interact. energy: -0.587
local terms energy: -132.243808
where:
bonds (distance) C4'-P energy: -23.536
bonds (distance) P-C4' energy: -28.827
flat angles C4'-P-C4' energy: -31.245
flat angles P-C4'-P energy: -17.501
tors. eta vs tors. theta energy: -31.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -473.403371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.403371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.403371 (E_RNA)
where:
Base-Base interactions energy: -333.906
where: short stacking energy: -139.019
Base-Backbone interact. energy: -0.066
local terms energy: -139.431836
where:
bonds (distance) C4'-P energy: -27.644
bonds (distance) P-C4' energy: -26.839
flat angles C4'-P-C4' energy: -28.575
flat angles P-C4'-P energy: -26.028
tors. eta vs tors. theta energy: -30.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -366.553169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.553169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.553169 (E_RNA)
where:
Base-Base interactions energy: -244.183
where: short stacking energy: -117.975
Base-Backbone interact. energy: -0.471
local terms energy: -121.898888
where:
bonds (distance) C4'-P energy: -27.169
bonds (distance) P-C4' energy: -24.033
flat angles C4'-P-C4' energy: -27.328
flat angles P-C4'-P energy: -20.138
tors. eta vs tors. theta energy: -23.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -328.643948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.643948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.643948 (E_RNA)
where:
Base-Base interactions energy: -215.276
where: short stacking energy: -106.338
Base-Backbone interact. energy: -0.313
local terms energy: -113.055125
where:
bonds (distance) C4'-P energy: -26.218
bonds (distance) P-C4' energy: -21.309
flat angles C4'-P-C4' energy: -26.730
flat angles P-C4'-P energy: -19.786
tors. eta vs tors. theta energy: -19.013
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: 10
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -246.468760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.468760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.468760 (E_RNA)
where:
Base-Base interactions energy: -142.753
where: short stacking energy: -55.948
Base-Backbone interact. energy: -1.238
local terms energy: -102.477764
where:
bonds (distance) C4'-P energy: -30.952
bonds (distance) P-C4' energy: -33.236
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -20.149
tors. eta vs tors. theta energy: -3.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -573.523349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.523349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.523349 (E_RNA)
where:
Base-Base interactions energy: -406.269
where: short stacking energy: -170.942
Base-Backbone interact. energy: -0.523
local terms energy: -166.731934
where:
bonds (distance) C4'-P energy: -24.385
bonds (distance) P-C4' energy: -30.484
flat angles C4'-P-C4' energy: -38.090
flat angles P-C4'-P energy: -28.650
tors. eta vs tors. theta energy: -45.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -551.202396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.202396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.202396 (E_RNA)
where:
Base-Base interactions energy: -380.963
where: short stacking energy: -163.246
Base-Backbone interact. energy: -1.287
local terms energy: -168.952309
where:
bonds (distance) C4'-P energy: -34.186
bonds (distance) P-C4' energy: -33.584
flat angles C4'-P-C4' energy: -33.217
flat angles P-C4'-P energy: -24.607
tors. eta vs tors. theta energy: -43.359
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: 5
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -569.790973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.790973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.790973 (E_RNA)
where:
Base-Base interactions energy: -401.765
where: short stacking energy: -169.386
Base-Backbone interact. energy: -2.290
local terms energy: -165.735991
where:
bonds (distance) C4'-P energy: -25.171
bonds (distance) P-C4' energy: -35.244
flat angles C4'-P-C4' energy: -33.498
flat angles P-C4'-P energy: -24.650
tors. eta vs tors. theta energy: -47.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -533.667798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.667798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.667798 (E_RNA)
where:
Base-Base interactions energy: -374.129
where: short stacking energy: -176.063
Base-Backbone interact. energy: -0.797
local terms energy: -158.741773
where:
bonds (distance) C4'-P energy: -28.790
bonds (distance) P-C4' energy: -31.204
flat angles C4'-P-C4' energy: -30.961
flat angles P-C4'-P energy: -23.974
tors. eta vs tors. theta energy: -43.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -538.381388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.381388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.381388 (E_RNA)
where:
Base-Base interactions energy: -381.416
where: short stacking energy: -154.162
Base-Backbone interact. energy: 0.268
local terms energy: -157.232597
where:
bonds (distance) C4'-P energy: -26.296
bonds (distance) P-C4' energy: -30.724
flat angles C4'-P-C4' energy: -33.309
flat angles P-C4'-P energy: -24.509
tors. eta vs tors. theta energy: -42.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -474.318161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.318161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.318161 (E_RNA)
where:
Base-Base interactions energy: -334.338
where: short stacking energy: -148.845
Base-Backbone interact. energy: -0.571
local terms energy: -139.409231
where:
bonds (distance) C4'-P energy: -30.074
bonds (distance) P-C4' energy: -24.157
flat angles C4'-P-C4' energy: -34.683
flat angles P-C4'-P energy: -19.376
tors. eta vs tors. theta energy: -31.119
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: 7, replica: 1
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -440.021323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.021323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.021323 (E_RNA)
where:
Base-Base interactions energy: -308.451
where: short stacking energy: -140.916
Base-Backbone interact. energy: -1.000
local terms energy: -130.570424
where:
bonds (distance) C4'-P energy: -26.010
bonds (distance) P-C4' energy: -27.237
flat angles C4'-P-C4' energy: -24.598
flat angles P-C4'-P energy: -16.125
tors. eta vs tors. theta energy: -36.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -357.545886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.545886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.545886 (E_RNA)
where:
Base-Base interactions energy: -227.190
where: short stacking energy: -109.567
Base-Backbone interact. energy: -0.293
local terms energy: -130.063509
where:
bonds (distance) C4'-P energy: -32.304
bonds (distance) P-C4' energy: -28.386
flat angles C4'-P-C4' energy: -25.490
flat angles P-C4'-P energy: -19.108
tors. eta vs tors. theta energy: -24.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -339.636386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.636386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.636386 (E_RNA)
where:
Base-Base interactions energy: -215.236
where: short stacking energy: -111.162
Base-Backbone interact. energy: -0.584
local terms energy: -123.817018
where:
bonds (distance) C4'-P energy: -25.271
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -31.515
flat angles P-C4'-P energy: -22.930
tors. eta vs tors. theta energy: -27.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -245.755023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.755023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.755023 (E_RNA)
where:
Base-Base interactions energy: -149.798
where: short stacking energy: -67.042
Base-Backbone interact. energy: 0.327
local terms energy: -96.284299
where:
bonds (distance) C4'-P energy: -27.041
bonds (distance) P-C4' energy: -30.051
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -20.621
tors. eta vs tors. theta energy: -6.715
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: 122
Temperature: 0.900000
Total energy: -576.209809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.209809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.209809 (E_RNA)
where:
Base-Base interactions energy: -405.082
where: short stacking energy: -179.138
Base-Backbone interact. energy: -1.055
local terms energy: -170.072573
where:
bonds (distance) C4'-P energy: -28.752
bonds (distance) P-C4' energy: -33.042
flat angles C4'-P-C4' energy: -32.944
flat angles P-C4'-P energy: -24.935
tors. eta vs tors. theta energy: -50.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -556.292106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.292106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.292106 (E_RNA)
where:
Base-Base interactions energy: -392.826
where: short stacking energy: -164.167
Base-Backbone interact. energy: 0.632
local terms energy: -164.098646
where:
bonds (distance) C4'-P energy: -31.506
bonds (distance) P-C4' energy: -29.332
flat angles C4'-P-C4' energy: -36.614
flat angles P-C4'-P energy: -24.230
tors. eta vs tors. theta energy: -42.418
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: 5
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -536.030203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.030203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.030203 (E_RNA)
where:
Base-Base interactions energy: -373.513
where: short stacking energy: -173.687
Base-Backbone interact. energy: -0.134
local terms energy: -162.382451
where:
bonds (distance) C4'-P energy: -31.582
bonds (distance) P-C4' energy: -24.649
flat angles C4'-P-C4' energy: -30.619
flat angles P-C4'-P energy: -28.421
tors. eta vs tors. theta energy: -47.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -522.953179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.953179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.953179 (E_RNA)
where:
Base-Base interactions energy: -359.699
where: short stacking energy: -159.319
Base-Backbone interact. energy: -0.514
local terms energy: -162.739739
where:
bonds (distance) C4'-P energy: -32.751
bonds (distance) P-C4' energy: -27.182
flat angles C4'-P-C4' energy: -29.638
flat angles P-C4'-P energy: -27.694
tors. eta vs tors. theta energy: -45.474
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: 122
Temperature: 1.100000
Total energy: -538.017057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.017057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.017057 (E_RNA)
where:
Base-Base interactions energy: -376.512
where: short stacking energy: -153.321
Base-Backbone interact. energy: -0.328
local terms energy: -161.176901
where:
bonds (distance) C4'-P energy: -24.988
bonds (distance) P-C4' energy: -32.464
flat angles C4'-P-C4' energy: -34.878
flat angles P-C4'-P energy: -24.930
tors. eta vs tors. theta energy: -43.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -501.544735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.544735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.544735 (E_RNA)
where:
Base-Base interactions energy: -350.266
where: short stacking energy: -162.353
Base-Backbone interact. energy: -0.385
local terms energy: -150.894004
where:
bonds (distance) C4'-P energy: -20.988
bonds (distance) P-C4' energy: -32.276
flat angles C4'-P-C4' energy: -38.967
flat angles P-C4'-P energy: -20.002
tors. eta vs tors. theta energy: -38.660
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: 1
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -424.916858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.916858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.916858 (E_RNA)
where:
Base-Base interactions energy: -295.573
where: short stacking energy: -128.379
Base-Backbone interact. energy: 1.119
local terms energy: -130.463312
where:
bonds (distance) C4'-P energy: -24.524
bonds (distance) P-C4' energy: -29.030
flat angles C4'-P-C4' energy: -26.736
flat angles P-C4'-P energy: -18.133
tors. eta vs tors. theta energy: -32.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -379.553725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.553725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.553725 (E_RNA)
where:
Base-Base interactions energy: -253.167
where: short stacking energy: -121.938
Base-Backbone interact. energy: 0.265
local terms energy: -126.652128
where:
bonds (distance) C4'-P energy: -27.566
bonds (distance) P-C4' energy: -25.913
flat angles C4'-P-C4' energy: -24.903
flat angles P-C4'-P energy: -17.183
tors. eta vs tors. theta energy: -31.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -394.989901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.989901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.989901 (E_RNA)
where:
Base-Base interactions energy: -247.895
where: short stacking energy: -127.539
Base-Backbone interact. energy: -0.413
local terms energy: -146.681524
where:
bonds (distance) C4'-P energy: -31.542
bonds (distance) P-C4' energy: -32.275
flat angles C4'-P-C4' energy: -29.977
flat angles P-C4'-P energy: -21.490
tors. eta vs tors. theta energy: -31.397
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: 122
Temperature: 1.350000
Total energy: -308.515547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.515547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.515547 (E_RNA)
where:
Base-Base interactions energy: -209.004
where: short stacking energy: -94.843
Base-Backbone interact. energy: 0.311
local terms energy: -99.822274
where:
bonds (distance) C4'-P energy: -25.689
bonds (distance) P-C4' energy: -16.105
flat angles C4'-P-C4' energy: -20.565
flat angles P-C4'-P energy: -18.649
tors. eta vs tors. theta energy: -18.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -565.264158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.264158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.264158 (E_RNA)
where:
Base-Base interactions energy: -393.643
where: short stacking energy: -171.817
Base-Backbone interact. energy: 0.201
local terms energy: -171.822134
where:
bonds (distance) C4'-P energy: -34.641
bonds (distance) P-C4' energy: -29.121
flat angles C4'-P-C4' energy: -34.385
flat angles P-C4'-P energy: -26.945
tors. eta vs tors. theta energy: -46.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -561.538322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.538322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.538322 (E_RNA)
where:
Base-Base interactions energy: -394.630
where: short stacking energy: -173.892
Base-Backbone interact. energy: -0.277
local terms energy: -166.631360
where:
bonds (distance) C4'-P energy: -31.708
bonds (distance) P-C4' energy: -34.987
flat angles C4'-P-C4' energy: -30.160
flat angles P-C4'-P energy: -25.542
tors. eta vs tors. theta energy: -44.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -546.539595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.539595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.539595 (E_RNA)
where:
Base-Base interactions energy: -387.875
where: short stacking energy: -167.827
Base-Backbone interact. energy: -0.090
local terms energy: -158.574923
where:
bonds (distance) C4'-P energy: -29.884
bonds (distance) P-C4' energy: -30.116
flat angles C4'-P-C4' energy: -33.665
flat angles P-C4'-P energy: -19.983
tors. eta vs tors. theta energy: -44.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -524.358168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.358168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.358168 (E_RNA)
where:
Base-Base interactions energy: -357.171
where: short stacking energy: -149.059
Base-Backbone interact. energy: -0.579
local terms energy: -166.608498
where:
bonds (distance) C4'-P energy: -35.332
bonds (distance) P-C4' energy: -31.952
flat angles C4'-P-C4' energy: -34.612
flat angles P-C4'-P energy: -24.280
tors. eta vs tors. theta energy: -40.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -524.466610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.466610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.466610 (E_RNA)
where:
Base-Base interactions energy: -351.798
where: short stacking energy: -172.022
Base-Backbone interact. energy: -0.011
local terms energy: -172.658197
where:
bonds (distance) C4'-P energy: -28.289
bonds (distance) P-C4' energy: -33.172
flat angles C4'-P-C4' energy: -37.544
flat angles P-C4'-P energy: -19.583
tors. eta vs tors. theta energy: -54.070
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: 6, replica: 4
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -495.400192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.400192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.400192 (E_RNA)
where:
Base-Base interactions energy: -342.896
where: short stacking energy: -144.841
Base-Backbone interact. energy: -1.678
local terms energy: -150.826710
where:
bonds (distance) C4'-P energy: -21.057
bonds (distance) P-C4' energy: -29.935
flat angles C4'-P-C4' energy: -35.428
flat angles P-C4'-P energy: -23.350
tors. eta vs tors. theta energy: -41.058
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: 1
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -397.001263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.001263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.001263 (E_RNA)
where:
Base-Base interactions energy: -270.851
where: short stacking energy: -131.743
Base-Backbone interact. energy: -0.212
local terms energy: -125.938338
where:
bonds (distance) C4'-P energy: -21.906
bonds (distance) P-C4' energy: -29.054
flat angles C4'-P-C4' energy: -28.669
flat angles P-C4'-P energy: -20.539
tors. eta vs tors. theta energy: -25.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -375.781894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.781894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.781894 (E_RNA)
where:
Base-Base interactions energy: -251.754
where: short stacking energy: -116.993
Base-Backbone interact. energy: -0.405
local terms energy: -123.623412
where:
bonds (distance) C4'-P energy: -29.352
bonds (distance) P-C4' energy: -22.903
flat angles C4'-P-C4' energy: -26.953
flat angles P-C4'-P energy: -20.346
tors. eta vs tors. theta energy: -24.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -351.821169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.821169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.821169 (E_RNA)
where:
Base-Base interactions energy: -214.927
where: short stacking energy: -99.781
Base-Backbone interact. energy: -0.308
local terms energy: -136.585703
where:
bonds (distance) C4'-P energy: -29.708
bonds (distance) P-C4' energy: -30.617
flat angles C4'-P-C4' energy: -29.111
flat angles P-C4'-P energy: -22.108
tors. eta vs tors. theta energy: -25.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -314.265379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.265379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.265379 (E_RNA)
where:
Base-Base interactions energy: -192.698
where: short stacking energy: -89.407
Base-Backbone interact. energy: -0.342
local terms energy: -121.225452
where:
bonds (distance) C4'-P energy: -26.330
bonds (distance) P-C4' energy: -30.500
flat angles C4'-P-C4' energy: -28.246
flat angles P-C4'-P energy: -17.689
tors. eta vs tors. theta energy: -18.460
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: 2
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -577.729079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.729079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.729079 (E_RNA)
where:
Base-Base interactions energy: -407.846
where: short stacking energy: -177.851
Base-Backbone interact. energy: -0.098
local terms energy: -169.785027
where:
bonds (distance) C4'-P energy: -29.630
bonds (distance) P-C4' energy: -24.098
flat angles C4'-P-C4' energy: -39.622
flat angles P-C4'-P energy: -26.607
tors. eta vs tors. theta energy: -49.827
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: 8
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -555.547679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.547679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.547679 (E_RNA)
where:
Base-Base interactions energy: -377.111
where: short stacking energy: -167.689
Base-Backbone interact. energy: -0.544
local terms energy: -177.892129
where:
bonds (distance) C4'-P energy: -27.937
bonds (distance) P-C4' energy: -35.505
flat angles C4'-P-C4' energy: -36.348
flat angles P-C4'-P energy: -27.345
tors. eta vs tors. theta energy: -50.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -553.388307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.388307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.388307 (E_RNA)
where:
Base-Base interactions energy: -383.139
where: short stacking energy: -147.864
Base-Backbone interact. energy: -0.347
local terms energy: -169.902111
where:
bonds (distance) C4'-P energy: -27.778
bonds (distance) P-C4' energy: -34.492
flat angles C4'-P-C4' energy: -37.522
flat angles P-C4'-P energy: -24.491
tors. eta vs tors. theta energy: -45.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -534.095093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.095093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.095093 (E_RNA)
where:
Base-Base interactions energy: -363.757
where: short stacking energy: -161.666
Base-Backbone interact. energy: -0.972
local terms energy: -169.366462
where:
bonds (distance) C4'-P energy: -32.764
bonds (distance) P-C4' energy: -33.557
flat angles C4'-P-C4' energy: -33.113
flat angles P-C4'-P energy: -20.519
tors. eta vs tors. theta energy: -49.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -521.141746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.141746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.141746 (E_RNA)
where:
Base-Base interactions energy: -361.101
where: short stacking energy: -174.434
Base-Backbone interact. energy: -1.619
local terms energy: -158.420990
where:
bonds (distance) C4'-P energy: -22.417
bonds (distance) P-C4' energy: -34.254
flat angles C4'-P-C4' energy: -33.305
flat angles P-C4'-P energy: -21.413
tors. eta vs tors. theta energy: -47.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -463.937226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.937226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.937226 (E_RNA)
where:
Base-Base interactions energy: -323.509
where: short stacking energy: -143.090
Base-Backbone interact. energy: -1.208
local terms energy: -139.220466
where:
bonds (distance) C4'-P energy: -22.668
bonds (distance) P-C4' energy: -32.843
flat angles C4'-P-C4' energy: -30.495
flat angles P-C4'-P energy: -17.984
tors. eta vs tors. theta energy: -35.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -440.775597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.775597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.775597 (E_RNA)
where:
Base-Base interactions energy: -295.184
where: short stacking energy: -134.423
Base-Backbone interact. energy: -0.784
local terms energy: -144.808407
where:
bonds (distance) C4'-P energy: -28.687
bonds (distance) P-C4' energy: -30.542
flat angles C4'-P-C4' energy: -31.625
flat angles P-C4'-P energy: -18.208
tors. eta vs tors. theta energy: -35.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -384.252506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.252506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.252506 (E_RNA)
where:
Base-Base interactions energy: -251.840
where: short stacking energy: -116.849
Base-Backbone interact. energy: -0.301
local terms energy: -132.111490
where:
bonds (distance) C4'-P energy: -27.156
bonds (distance) P-C4' energy: -28.360
flat angles C4'-P-C4' energy: -33.360
flat angles P-C4'-P energy: -13.893
tors. eta vs tors. theta energy: -29.342
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: 3
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -397.455840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.455840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.455840 (E_RNA)
where:
Base-Base interactions energy: -267.601
where: short stacking energy: -126.071
Base-Backbone interact. energy: -0.277
local terms energy: -129.577868
where:
bonds (distance) C4'-P energy: -26.627
bonds (distance) P-C4' energy: -23.187
flat angles C4'-P-C4' energy: -35.036
flat angles P-C4'-P energy: -13.873
tors. eta vs tors. theta energy: -30.855
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: 124
Temperature: 1.350000
Total energy: -324.873997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.873997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.873997 (E_RNA)
where:
Base-Base interactions energy: -201.436
where: short stacking energy: -88.622
Base-Backbone interact. energy: -0.588
local terms energy: -122.850055
where:
bonds (distance) C4'-P energy: -25.642
bonds (distance) P-C4' energy: -30.377
flat angles C4'-P-C4' energy: -25.867
flat angles P-C4'-P energy: -18.683
tors. eta vs tors. theta energy: -22.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -583.217166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.217166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.217166 (E_RNA)
where:
Base-Base interactions energy: -407.222
where: short stacking energy: -175.769
Base-Backbone interact. energy: -0.317
local terms energy: -175.677997
where:
bonds (distance) C4'-P energy: -35.691
bonds (distance) P-C4' energy: -26.694
flat angles C4'-P-C4' energy: -36.389
flat angles P-C4'-P energy: -27.623
tors. eta vs tors. theta energy: -49.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -562.825159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.825159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.825159 (E_RNA)
where:
Base-Base interactions energy: -405.740
where: short stacking energy: -169.077
Base-Backbone interact. energy: -1.440
local terms energy: -155.644729
where:
bonds (distance) C4'-P energy: -24.397
bonds (distance) P-C4' energy: -34.032
flat angles C4'-P-C4' energy: -35.660
flat angles P-C4'-P energy: -22.444
tors. eta vs tors. theta energy: -39.112
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: 8
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -545.141437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.141437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.141437 (E_RNA)
where:
Base-Base interactions energy: -377.131
where: short stacking energy: -163.059
Base-Backbone interact. energy: -1.527
local terms energy: -166.483453
where:
bonds (distance) C4'-P energy: -28.951
bonds (distance) P-C4' energy: -32.097
flat angles C4'-P-C4' energy: -33.259
flat angles P-C4'-P energy: -24.109
tors. eta vs tors. theta energy: -48.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -547.727353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.727353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.727353 (E_RNA)
where:
Base-Base interactions energy: -375.247
where: short stacking energy: -173.041
Base-Backbone interact. energy: 1.430
local terms energy: -173.910487
where:
bonds (distance) C4'-P energy: -33.151
bonds (distance) P-C4' energy: -28.467
flat angles C4'-P-C4' energy: -36.464
flat angles P-C4'-P energy: -26.998
tors. eta vs tors. theta energy: -48.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -506.991432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.991432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.991432 (E_RNA)
where:
Base-Base interactions energy: -354.842
where: short stacking energy: -164.043
Base-Backbone interact. energy: 0.462
local terms energy: -152.610968
where:
bonds (distance) C4'-P energy: -28.243
bonds (distance) P-C4' energy: -24.984
flat angles C4'-P-C4' energy: -36.609
flat angles P-C4'-P energy: -20.744
tors. eta vs tors. theta energy: -42.030
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: 6, replica: 1
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -462.673057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.673057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.673057 (E_RNA)
where:
Base-Base interactions energy: -322.979
where: short stacking energy: -128.868
Base-Backbone interact. energy: -0.866
local terms energy: -138.828110
where:
bonds (distance) C4'-P energy: -25.300
bonds (distance) P-C4' energy: -34.352
flat angles C4'-P-C4' energy: -27.262
flat angles P-C4'-P energy: -22.416
tors. eta vs tors. theta energy: -29.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -461.472773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.472773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.472773 (E_RNA)
where:
Base-Base interactions energy: -318.639
where: short stacking energy: -144.512
Base-Backbone interact. energy: -0.418
local terms energy: -142.415819
where:
bonds (distance) C4'-P energy: -22.112
bonds (distance) P-C4' energy: -30.154
flat angles C4'-P-C4' energy: -30.298
flat angles P-C4'-P energy: -19.509
tors. eta vs tors. theta energy: -40.343
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: 8, replica: 3
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -382.183858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.183858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.183858 (E_RNA)
where:
Base-Base interactions energy: -239.653
where: short stacking energy: -118.877
Base-Backbone interact. energy: -0.395
local terms energy: -142.135613
where:
bonds (distance) C4'-P energy: -27.677
bonds (distance) P-C4' energy: -31.565
flat angles C4'-P-C4' energy: -32.261
flat angles P-C4'-P energy: -21.172
tors. eta vs tors. theta energy: -29.461
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: 125
Temperature: 1.300000
Total energy: -374.788871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.788871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.788871 (E_RNA)
where:
Base-Base interactions energy: -243.350
where: short stacking energy: -112.411
Base-Backbone interact. energy: 0.167
local terms energy: -131.606008
where:
bonds (distance) C4'-P energy: -30.829
bonds (distance) P-C4' energy: -25.722
flat angles C4'-P-C4' energy: -24.932
flat angles P-C4'-P energy: -20.767
tors. eta vs tors. theta energy: -29.357
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: 125
Temperature: 1.350000
Total energy: -340.348501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.348501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.348501 (E_RNA)
where:
Base-Base interactions energy: -229.100
where: short stacking energy: -98.823
Base-Backbone interact. energy: -0.379
local terms energy: -110.869914
where:
bonds (distance) C4'-P energy: -27.867
bonds (distance) P-C4' energy: -27.666
flat angles C4'-P-C4' energy: -25.543
flat angles P-C4'-P energy: -12.716
tors. eta vs tors. theta energy: -17.077
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: 2
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -581.518161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.518161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.518161 (E_RNA)
where:
Base-Base interactions energy: -401.132
where: short stacking energy: -179.342
Base-Backbone interact. energy: -0.308
local terms energy: -180.077653
where:
bonds (distance) C4'-P energy: -32.706
bonds (distance) P-C4' energy: -36.058
flat angles C4'-P-C4' energy: -35.131
flat angles P-C4'-P energy: -26.185
tors. eta vs tors. theta energy: -49.998
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: 126
Temperature: 0.950000
Total energy: -558.772208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.772208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.772208 (E_RNA)
where:
Base-Base interactions energy: -390.386
where: short stacking energy: -141.956
Base-Backbone interact. energy: -1.203
local terms energy: -167.182734
where:
bonds (distance) C4'-P energy: -31.762
bonds (distance) P-C4' energy: -32.603
flat angles C4'-P-C4' energy: -37.484
flat angles P-C4'-P energy: -27.972
tors. eta vs tors. theta energy: -37.361
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: 8
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -532.402886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.402886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.402886 (E_RNA)
where:
Base-Base interactions energy: -368.922
where: short stacking energy: -155.350
Base-Backbone interact. energy: -0.252
local terms energy: -163.228783
where:
bonds (distance) C4'-P energy: -29.311
bonds (distance) P-C4' energy: -37.572
flat angles C4'-P-C4' energy: -34.561
flat angles P-C4'-P energy: -20.581
tors. eta vs tors. theta energy: -41.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -535.466753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.466753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.466753 (E_RNA)
where:
Base-Base interactions energy: -372.467
where: short stacking energy: -168.612
Base-Backbone interact. energy: -0.903
local terms energy: -162.096473
where:
bonds (distance) C4'-P energy: -24.134
bonds (distance) P-C4' energy: -29.166
flat angles C4'-P-C4' energy: -37.489
flat angles P-C4'-P energy: -24.420
tors. eta vs tors. theta energy: -46.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -497.545845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.545845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.545845 (E_RNA)
where:
Base-Base interactions energy: -357.505
where: short stacking energy: -137.774
Base-Backbone interact. energy: -0.382
local terms energy: -139.658926
where:
bonds (distance) C4'-P energy: -27.817
bonds (distance) P-C4' energy: -24.873
flat angles C4'-P-C4' energy: -36.025
flat angles P-C4'-P energy: -19.200
tors. eta vs tors. theta energy: -31.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -520.524476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.524476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.524476 (E_RNA)
where:
Base-Base interactions energy: -362.273
where: short stacking energy: -163.080
Base-Backbone interact. energy: -1.268
local terms energy: -156.983986
where:
bonds (distance) C4'-P energy: -28.135
bonds (distance) P-C4' energy: -28.008
flat angles C4'-P-C4' energy: -31.663
flat angles P-C4'-P energy: -22.837
tors. eta vs tors. theta energy: -46.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -441.523797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.523797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.523797 (E_RNA)
where:
Base-Base interactions energy: -302.149
where: short stacking energy: -141.787
Base-Backbone interact. energy: -0.090
local terms energy: -139.284792
where:
bonds (distance) C4'-P energy: -28.743
bonds (distance) P-C4' energy: -31.156
flat angles C4'-P-C4' energy: -27.232
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -39.106
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: 3
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -381.208464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.208464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.208464 (E_RNA)
where:
Base-Base interactions energy: -241.369
where: short stacking energy: -111.337
Base-Backbone interact. energy: -0.319
local terms energy: -139.520824
where:
bonds (distance) C4'-P energy: -25.389
bonds (distance) P-C4' energy: -30.467
flat angles C4'-P-C4' energy: -27.860
flat angles P-C4'-P energy: -23.265
tors. eta vs tors. theta energy: -32.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -346.067479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.067479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.067479 (E_RNA)
where:
Base-Base interactions energy: -221.898
where: short stacking energy: -96.105
Base-Backbone interact. energy: -0.277
local terms energy: -123.892286
where:
bonds (distance) C4'-P energy: -27.862
bonds (distance) P-C4' energy: -27.558
flat angles C4'-P-C4' energy: -27.605
flat angles P-C4'-P energy: -14.950
tors. eta vs tors. theta energy: -25.917
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: 126
Temperature: 1.350000
Total energy: -361.947843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.947843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.947843 (E_RNA)
where:
Base-Base interactions energy: -228.954
where: short stacking energy: -92.702
Base-Backbone interact. energy: -0.689
local terms energy: -132.303928
where:
bonds (distance) C4'-P energy: -26.266
bonds (distance) P-C4' energy: -31.543
flat angles C4'-P-C4' energy: -32.916
flat angles P-C4'-P energy: -18.752
tors. eta vs tors. theta energy: -22.827
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: 2
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -586.647050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.647050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.647050 (E_RNA)
where:
Base-Base interactions energy: -411.495
where: short stacking energy: -176.894
Base-Backbone interact. energy: -0.859
local terms energy: -174.292965
where:
bonds (distance) C4'-P energy: -30.662
bonds (distance) P-C4' energy: -28.488
flat angles C4'-P-C4' energy: -36.230
flat angles P-C4'-P energy: -24.820
tors. eta vs tors. theta energy: -54.094
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: 7
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -553.312679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.312679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.312679 (E_RNA)
where:
Base-Base interactions energy: -390.777
where: short stacking energy: -144.339
Base-Backbone interact. energy: -1.398
local terms energy: -161.137709
where:
bonds (distance) C4'-P energy: -33.675
bonds (distance) P-C4' energy: -32.566
flat angles C4'-P-C4' energy: -33.025
flat angles P-C4'-P energy: -24.546
tors. eta vs tors. theta energy: -37.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -573.517874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.517874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.517874 (E_RNA)
where:
Base-Base interactions energy: -405.846
where: short stacking energy: -175.272
Base-Backbone interact. energy: -0.615
local terms energy: -167.056141
where:
bonds (distance) C4'-P energy: -26.648
bonds (distance) P-C4' energy: -32.595
flat angles C4'-P-C4' energy: -38.932
flat angles P-C4'-P energy: -19.872
tors. eta vs tors. theta energy: -49.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -510.821832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.821832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.821832 (E_RNA)
where:
Base-Base interactions energy: -356.645
where: short stacking energy: -147.685
Base-Backbone interact. energy: -0.994
local terms energy: -153.182332
where:
bonds (distance) C4'-P energy: -33.235
bonds (distance) P-C4' energy: -32.346
flat angles C4'-P-C4' energy: -29.593
flat angles P-C4'-P energy: -22.104
tors. eta vs tors. theta energy: -35.905
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: 6
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -525.815170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.815170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.815170 (E_RNA)
where:
Base-Base interactions energy: -365.202
where: short stacking energy: -163.647
Base-Backbone interact. energy: -0.251
local terms energy: -160.362040
where:
bonds (distance) C4'-P energy: -26.632
bonds (distance) P-C4' energy: -27.741
flat angles C4'-P-C4' energy: -34.501
flat angles P-C4'-P energy: -28.243
tors. eta vs tors. theta energy: -43.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -507.253716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.253716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.253716 (E_RNA)
where:
Base-Base interactions energy: -341.124
where: short stacking energy: -149.228
Base-Backbone interact. energy: -0.692
local terms energy: -165.437991
where:
bonds (distance) C4'-P energy: -26.221
bonds (distance) P-C4' energy: -32.360
flat angles C4'-P-C4' energy: -36.436
flat angles P-C4'-P energy: -24.658
tors. eta vs tors. theta energy: -45.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -455.141344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.141344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.141344 (E_RNA)
where:
Base-Base interactions energy: -311.741
where: short stacking energy: -144.517
Base-Backbone interact. energy: -0.480
local terms energy: -142.920545
where:
bonds (distance) C4'-P energy: -29.398
bonds (distance) P-C4' energy: -34.008
flat angles C4'-P-C4' energy: -25.998
flat angles P-C4'-P energy: -18.931
tors. eta vs tors. theta energy: -34.585
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: 9
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -363.524090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.524090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.524090 (E_RNA)
where:
Base-Base interactions energy: -236.591
where: short stacking energy: -118.470
Base-Backbone interact. energy: -0.635
local terms energy: -126.298439
where:
bonds (distance) C4'-P energy: -27.725
bonds (distance) P-C4' energy: -26.001
flat angles C4'-P-C4' energy: -27.408
flat angles P-C4'-P energy: -16.426
tors. eta vs tors. theta energy: -28.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -360.609483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.609483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.609483 (E_RNA)
where:
Base-Base interactions energy: -242.122
where: short stacking energy: -115.039
Base-Backbone interact. energy: 0.161
local terms energy: -118.648809
where:
bonds (distance) C4'-P energy: -21.110
bonds (distance) P-C4' energy: -23.056
flat angles C4'-P-C4' energy: -27.332
flat angles P-C4'-P energy: -19.342
tors. eta vs tors. theta energy: -27.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -368.610247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.610247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.610247 (E_RNA)
where:
Base-Base interactions energy: -243.514
where: short stacking energy: -123.721
Base-Backbone interact. energy: 1.006
local terms energy: -126.102654
where:
bonds (distance) C4'-P energy: -24.525
bonds (distance) P-C4' energy: -27.392
flat angles C4'-P-C4' energy: -29.922
flat angles P-C4'-P energy: -13.507
tors. eta vs tors. theta energy: -30.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -574.215921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.215921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.215921 (E_RNA)
where:
Base-Base interactions energy: -408.443
where: short stacking energy: -180.312
Base-Backbone interact. energy: -0.443
local terms energy: -165.329684
where:
bonds (distance) C4'-P energy: -23.822
bonds (distance) P-C4' energy: -30.873
flat angles C4'-P-C4' energy: -34.715
flat angles P-C4'-P energy: -27.613
tors. eta vs tors. theta energy: -48.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -554.210644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.210644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.210644 (E_RNA)
where:
Base-Base interactions energy: -392.202
where: short stacking energy: -161.138
Base-Backbone interact. energy: -1.829
local terms energy: -160.179874
where:
bonds (distance) C4'-P energy: -32.943
bonds (distance) P-C4' energy: -26.857
flat angles C4'-P-C4' energy: -31.308
flat angles P-C4'-P energy: -24.027
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: 3, replica: 8
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -550.030618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.030618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.030618 (E_RNA)
where:
Base-Base interactions energy: -380.623
where: short stacking energy: -161.245
Base-Backbone interact. energy: -0.112
local terms energy: -169.295271
where:
bonds (distance) C4'-P energy: -27.336
bonds (distance) P-C4' energy: -32.810
flat angles C4'-P-C4' energy: -34.192
flat angles P-C4'-P energy: -25.829
tors. eta vs tors. theta energy: -49.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -494.146014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.146014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.146014 (E_RNA)
where:
Base-Base interactions energy: -353.359
where: short stacking energy: -150.941
Base-Backbone interact. energy: -0.553
local terms energy: -140.233645
where:
bonds (distance) C4'-P energy: -27.445
bonds (distance) P-C4' energy: -28.860
flat angles C4'-P-C4' energy: -30.757
flat angles P-C4'-P energy: -20.519
tors. eta vs tors. theta energy: -32.652
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: 6
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -514.286821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.286821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.286821 (E_RNA)
where:
Base-Base interactions energy: -348.135
where: short stacking energy: -159.554
Base-Backbone interact. energy: -0.684
local terms energy: -165.467866
where:
bonds (distance) C4'-P energy: -24.629
bonds (distance) P-C4' energy: -32.070
flat angles C4'-P-C4' energy: -36.360
flat angles P-C4'-P energy: -29.294
tors. eta vs tors. theta energy: -43.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -511.524987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.524987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.524987 (E_RNA)
where:
Base-Base interactions energy: -346.393
where: short stacking energy: -150.942
Base-Backbone interact. energy: -0.402
local terms energy: -164.730449
where:
bonds (distance) C4'-P energy: -25.304
bonds (distance) P-C4' energy: -37.392
flat angles C4'-P-C4' energy: -35.869
flat angles P-C4'-P energy: -23.999
tors. eta vs tors. theta energy: -42.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -387.508724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.508724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.508724 (E_RNA)
where:
Base-Base interactions energy: -259.610
where: short stacking energy: -123.537
Base-Backbone interact. energy: -0.631
local terms energy: -127.267942
where:
bonds (distance) C4'-P energy: -20.370
bonds (distance) P-C4' energy: -25.469
flat angles C4'-P-C4' energy: -32.004
flat angles P-C4'-P energy: -25.662
tors. eta vs tors. theta energy: -23.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -445.327664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.327664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.327664 (E_RNA)
where:
Base-Base interactions energy: -302.081
where: short stacking energy: -134.994
Base-Backbone interact. energy: -0.780
local terms energy: -142.467221
where:
bonds (distance) C4'-P energy: -28.424
bonds (distance) P-C4' energy: -31.610
flat angles C4'-P-C4' energy: -28.934
flat angles P-C4'-P energy: -17.286
tors. eta vs tors. theta energy: -36.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -390.811132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.811132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.811132 (E_RNA)
where:
Base-Base interactions energy: -246.132
where: short stacking energy: -123.524
Base-Backbone interact. energy: -0.663
local terms energy: -144.016238
where:
bonds (distance) C4'-P energy: -28.990
bonds (distance) P-C4' energy: -28.880
flat angles C4'-P-C4' energy: -32.192
flat angles P-C4'-P energy: -21.303
tors. eta vs tors. theta energy: -32.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -311.032703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.032703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.032703 (E_RNA)
where:
Base-Base interactions energy: -212.996
where: short stacking energy: -91.797
Base-Backbone interact. energy: -0.432
local terms energy: -97.605674
where:
bonds (distance) C4'-P energy: -29.749
bonds (distance) P-C4' energy: -21.448
flat angles C4'-P-C4' energy: -22.263
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -16.018
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: 2
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -573.084835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.084835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.084835 (E_RNA)
where:
Base-Base interactions energy: -403.267
where: short stacking energy: -172.461
Base-Backbone interact. energy: -0.358
local terms energy: -169.459906
where:
bonds (distance) C4'-P energy: -30.318
bonds (distance) P-C4' energy: -23.628
flat angles C4'-P-C4' energy: -38.193
flat angles P-C4'-P energy: -27.173
tors. eta vs tors. theta energy: -50.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -557.430812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.430812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.430812 (E_RNA)
where:
Base-Base interactions energy: -389.811
where: short stacking energy: -150.060
Base-Backbone interact. energy: -0.480
local terms energy: -167.140228
where:
bonds (distance) C4'-P energy: -37.373
bonds (distance) P-C4' energy: -29.967
flat angles C4'-P-C4' energy: -34.454
flat angles P-C4'-P energy: -23.630
tors. eta vs tors. theta energy: -41.716
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: 8
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -555.135655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.135655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.135655 (E_RNA)
where:
Base-Base interactions energy: -396.418
where: short stacking energy: -171.176
Base-Backbone interact. energy: -0.032
local terms energy: -158.686137
where:
bonds (distance) C4'-P energy: -32.122
bonds (distance) P-C4' energy: -26.542
flat angles C4'-P-C4' energy: -27.351
flat angles P-C4'-P energy: -22.708
tors. eta vs tors. theta energy: -49.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -519.422439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.422439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.422439 (E_RNA)
where:
Base-Base interactions energy: -354.476
where: short stacking energy: -157.473
Base-Backbone interact. energy: -0.452
local terms energy: -164.494388
where:
bonds (distance) C4'-P energy: -28.803
bonds (distance) P-C4' energy: -29.721
flat angles C4'-P-C4' energy: -35.992
flat angles P-C4'-P energy: -26.719
tors. eta vs tors. theta energy: -43.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -481.613037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.613037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.613037 (E_RNA)
where:
Base-Base interactions energy: -335.105
where: short stacking energy: -141.415
Base-Backbone interact. energy: -0.554
local terms energy: -145.954130
where:
bonds (distance) C4'-P energy: -31.945
bonds (distance) P-C4' energy: -34.310
flat angles C4'-P-C4' energy: -30.149
flat angles P-C4'-P energy: -16.888
tors. eta vs tors. theta energy: -32.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -519.886731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.886731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.886731 (E_RNA)
where:
Base-Base interactions energy: -356.587
where: short stacking energy: -153.963
Base-Backbone interact. energy: -0.479
local terms energy: -162.820879
where:
bonds (distance) C4'-P energy: -27.079
bonds (distance) P-C4' energy: -32.555
flat angles C4'-P-C4' energy: -29.309
flat angles P-C4'-P energy: -23.789
tors. eta vs tors. theta energy: -50.089
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: 9
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -398.023282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.023282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.023282 (E_RNA)
where:
Base-Base interactions energy: -267.490
where: short stacking energy: -122.626
Base-Backbone interact. energy: -0.010
local terms energy: -130.523735
where:
bonds (distance) C4'-P energy: -27.285
bonds (distance) P-C4' energy: -29.406
flat angles C4'-P-C4' energy: -29.139
flat angles P-C4'-P energy: -15.853
tors. eta vs tors. theta energy: -28.840
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: 4
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -431.916300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.916300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.916300 (E_RNA)
where:
Base-Base interactions energy: -297.250
where: short stacking energy: -133.598
Base-Backbone interact. energy: -1.634
local terms energy: -133.032135
where:
bonds (distance) C4'-P energy: -30.346
bonds (distance) P-C4' energy: -22.694
flat angles C4'-P-C4' energy: -31.815
flat angles P-C4'-P energy: -19.435
tors. eta vs tors. theta energy: -28.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -371.608008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.608008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.608008 (E_RNA)
where:
Base-Base interactions energy: -247.633
where: short stacking energy: -122.492
Base-Backbone interact. energy: -1.038
local terms energy: -122.937769
where:
bonds (distance) C4'-P energy: -19.814
bonds (distance) P-C4' energy: -25.262
flat angles C4'-P-C4' energy: -28.852
flat angles P-C4'-P energy: -22.019
tors. eta vs tors. theta energy: -26.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -321.174792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.174792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.174792 (E_RNA)
where:
Base-Base interactions energy: -211.178
where: short stacking energy: -99.474
Base-Backbone interact. energy: -0.217
local terms energy: -109.779149
where:
bonds (distance) C4'-P energy: -20.122
bonds (distance) P-C4' energy: -28.927
flat angles C4'-P-C4' energy: -26.939
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -21.609
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: 7
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -567.734776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.734776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.734776 (E_RNA)
where:
Base-Base interactions energy: -400.663
where: short stacking energy: -155.747
Base-Backbone interact. energy: -2.024
local terms energy: -165.047835
where:
bonds (distance) C4'-P energy: -32.712
bonds (distance) P-C4' energy: -28.696
flat angles C4'-P-C4' energy: -34.285
flat angles P-C4'-P energy: -25.942
tors. eta vs tors. theta energy: -43.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -571.611217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.611217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.611217 (E_RNA)
where:
Base-Base interactions energy: -401.444
where: short stacking energy: -182.466
Base-Backbone interact. energy: -0.771
local terms energy: -169.396226
where:
bonds (distance) C4'-P energy: -28.377
bonds (distance) P-C4' energy: -32.361
flat angles C4'-P-C4' energy: -34.822
flat angles P-C4'-P energy: -21.131
tors. eta vs tors. theta energy: -52.705
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: 6
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -545.234521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.234521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.234521 (E_RNA)
where:
Base-Base interactions energy: -376.827
where: short stacking energy: -177.334
Base-Backbone interact. energy: -0.444
local terms energy: -167.963704
where:
bonds (distance) C4'-P energy: -24.391
bonds (distance) P-C4' energy: -33.718
flat angles C4'-P-C4' energy: -36.163
flat angles P-C4'-P energy: -24.918
tors. eta vs tors. theta energy: -48.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -543.747116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.747116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.747116 (E_RNA)
where:
Base-Base interactions energy: -389.491
where: short stacking energy: -162.814
Base-Backbone interact. energy: -0.242
local terms energy: -154.014380
where:
bonds (distance) C4'-P energy: -35.059
bonds (distance) P-C4' energy: -29.858
flat angles C4'-P-C4' energy: -26.170
flat angles P-C4'-P energy: -18.482
tors. eta vs tors. theta energy: -44.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -519.420435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.420435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.420435 (E_RNA)
where:
Base-Base interactions energy: -353.439
where: short stacking energy: -153.774
Base-Backbone interact. energy: -0.751
local terms energy: -165.230981
where:
bonds (distance) C4'-P energy: -27.914
bonds (distance) P-C4' energy: -34.989
flat angles C4'-P-C4' energy: -34.850
flat angles P-C4'-P energy: -21.967
tors. eta vs tors. theta energy: -45.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -479.172051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.172051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.172051 (E_RNA)
where:
Base-Base interactions energy: -321.919
where: short stacking energy: -133.432
Base-Backbone interact. energy: -0.817
local terms energy: -156.435945
where:
bonds (distance) C4'-P energy: -36.926
bonds (distance) P-C4' energy: -30.626
flat angles C4'-P-C4' energy: -33.942
flat angles P-C4'-P energy: -21.175
tors. eta vs tors. theta energy: -33.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -456.507652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.507652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.507652 (E_RNA)
where:
Base-Base interactions energy: -317.691
where: short stacking energy: -145.959
Base-Backbone interact. energy: -0.238
local terms energy: -138.579054
where:
bonds (distance) C4'-P energy: -26.674
bonds (distance) P-C4' energy: -26.972
flat angles C4'-P-C4' energy: -32.562
flat angles P-C4'-P energy: -19.905
tors. eta vs tors. theta energy: -32.466
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: 8, replica: 9
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -382.763880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.763880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.763880 (E_RNA)
where:
Base-Base interactions energy: -252.752
where: short stacking energy: -120.639
Base-Backbone interact. energy: -0.369
local terms energy: -129.643251
where:
bonds (distance) C4'-P energy: -23.275
bonds (distance) P-C4' energy: -30.603
flat angles C4'-P-C4' energy: -23.651
flat angles P-C4'-P energy: -24.169
tors. eta vs tors. theta energy: -27.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -349.749495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.749495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.749495 (E_RNA)
where:
Base-Base interactions energy: -216.771
where: short stacking energy: -110.503
Base-Backbone interact. energy: -0.210
local terms energy: -132.768539
where:
bonds (distance) C4'-P energy: -28.515
bonds (distance) P-C4' energy: -25.656
flat angles C4'-P-C4' energy: -37.710
flat angles P-C4'-P energy: -13.290
tors. eta vs tors. theta energy: -27.597
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: 10, replica: 3
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -395.058987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.058987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.058987 (E_RNA)
where:
Base-Base interactions energy: -268.418
where: short stacking energy: -133.915
Base-Backbone interact. energy: -0.511
local terms energy: -126.129926
where:
bonds (distance) C4'-P energy: -18.292
bonds (distance) P-C4' energy: -31.048
flat angles C4'-P-C4' energy: -29.936
flat angles P-C4'-P energy: -18.285
tors. eta vs tors. theta energy: -28.569
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: 131
Temperature: 0.900000
Total energy: -584.588093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.588093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.588093 (E_RNA)
where:
Base-Base interactions energy: -416.802
where: short stacking energy: -167.949
Base-Backbone interact. energy: -0.640
local terms energy: -167.145484
where:
bonds (distance) C4'-P energy: -29.812
bonds (distance) P-C4' energy: -39.436
flat angles C4'-P-C4' energy: -31.244
flat angles P-C4'-P energy: -22.219
tors. eta vs tors. theta energy: -44.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -563.552667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.552667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.552667 (E_RNA)
where:
Base-Base interactions energy: -389.307
where: short stacking energy: -178.992
Base-Backbone interact. energy: -0.129
local terms energy: -174.116668
where:
bonds (distance) C4'-P energy: -32.164
bonds (distance) P-C4' energy: -30.844
flat angles C4'-P-C4' energy: -37.484
flat angles P-C4'-P energy: -24.944
tors. eta vs tors. theta energy: -48.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -551.074622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.074622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.074622 (E_RNA)
where:
Base-Base interactions energy: -380.181
where: short stacking energy: -170.223
Base-Backbone interact. energy: -0.005
local terms energy: -170.888695
where:
bonds (distance) C4'-P energy: -31.684
bonds (distance) P-C4' energy: -28.959
flat angles C4'-P-C4' energy: -35.927
flat angles P-C4'-P energy: -26.378
tors. eta vs tors. theta energy: -47.940
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: 4, replica: 5
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -541.637892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.637892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.637892 (E_RNA)
where:
Base-Base interactions energy: -377.904
where: short stacking energy: -158.736
Base-Backbone interact. energy: 0.712
local terms energy: -164.445250
where:
bonds (distance) C4'-P energy: -27.309
bonds (distance) P-C4' energy: -29.668
flat angles C4'-P-C4' energy: -33.470
flat angles P-C4'-P energy: -27.036
tors. eta vs tors. theta energy: -46.963
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: 8
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -531.359009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.359009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.359009 (E_RNA)
where:
Base-Base interactions energy: -371.706
where: short stacking energy: -152.291
Base-Backbone interact. energy: -0.242
local terms energy: -159.410963
where:
bonds (distance) C4'-P energy: -32.209
bonds (distance) P-C4' energy: -27.867
flat angles C4'-P-C4' energy: -34.203
flat angles P-C4'-P energy: -22.049
tors. eta vs tors. theta energy: -43.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -462.246546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.246546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.246546 (E_RNA)
where:
Base-Base interactions energy: -321.644
where: short stacking energy: -148.344
Base-Backbone interact. energy: -0.225
local terms energy: -140.377474
where:
bonds (distance) C4'-P energy: -28.784
bonds (distance) P-C4' energy: -25.320
flat angles C4'-P-C4' energy: -36.455
flat angles P-C4'-P energy: -16.109
tors. eta vs tors. theta energy: -33.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -456.093157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.093157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.093157 (E_RNA)
where:
Base-Base interactions energy: -316.292
where: short stacking energy: -142.944
Base-Backbone interact. energy: -0.387
local terms energy: -139.414010
where:
bonds (distance) C4'-P energy: -22.681
bonds (distance) P-C4' energy: -29.591
flat angles C4'-P-C4' energy: -32.490
flat angles P-C4'-P energy: -24.136
tors. eta vs tors. theta energy: -30.516
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: 9
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -386.677054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.677054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.677054 (E_RNA)
where:
Base-Base interactions energy: -253.311
where: short stacking energy: -120.631
Base-Backbone interact. energy: -0.723
local terms energy: -132.642943
where:
bonds (distance) C4'-P energy: -25.280
bonds (distance) P-C4' energy: -24.856
flat angles C4'-P-C4' energy: -31.431
flat angles P-C4'-P energy: -19.577
tors. eta vs tors. theta energy: -31.499
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: 10
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -325.757779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.757779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.757779 (E_RNA)
where:
Base-Base interactions energy: -195.660
where: short stacking energy: -91.786
Base-Backbone interact. energy: -0.711
local terms energy: -129.387026
where:
bonds (distance) C4'-P energy: -25.130
bonds (distance) P-C4' energy: -31.317
flat angles C4'-P-C4' energy: -29.133
flat angles P-C4'-P energy: -23.869
tors. eta vs tors. theta energy: -19.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -336.304620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.304620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.304620 (E_RNA)
where:
Base-Base interactions energy: -220.433
where: short stacking energy: -113.120
Base-Backbone interact. energy: -0.070
local terms energy: -115.801028
where:
bonds (distance) C4'-P energy: -24.067
bonds (distance) P-C4' energy: -20.645
flat angles C4'-P-C4' energy: -23.687
flat angles P-C4'-P energy: -16.205
tors. eta vs tors. theta energy: -31.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -576.777278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.777278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.777278 (E_RNA)
where:
Base-Base interactions energy: -405.527
where: short stacking energy: -182.888
Base-Backbone interact. energy: 0.286
local terms energy: -171.535705
where:
bonds (distance) C4'-P energy: -36.845
bonds (distance) P-C4' energy: -34.264
flat angles C4'-P-C4' energy: -32.819
flat angles P-C4'-P energy: -23.494
tors. eta vs tors. theta energy: -44.113
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: 7
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -574.451265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.451265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.451265 (E_RNA)
where:
Base-Base interactions energy: -408.475
where: short stacking energy: -152.253
Base-Backbone interact. energy: -0.734
local terms energy: -165.242215
where:
bonds (distance) C4'-P energy: -25.564
bonds (distance) P-C4' energy: -32.806
flat angles C4'-P-C4' energy: -33.516
flat angles P-C4'-P energy: -25.147
tors. eta vs tors. theta energy: -48.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -539.839625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.839625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.839625 (E_RNA)
where:
Base-Base interactions energy: -376.676
where: short stacking energy: -160.773
Base-Backbone interact. energy: -0.413
local terms energy: -162.750488
where:
bonds (distance) C4'-P energy: -32.694
bonds (distance) P-C4' energy: -28.922
flat angles C4'-P-C4' energy: -34.589
flat angles P-C4'-P energy: -21.900
tors. eta vs tors. theta energy: -44.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -527.043460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.043460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.043460 (E_RNA)
where:
Base-Base interactions energy: -369.752
where: short stacking energy: -156.881
Base-Backbone interact. energy: 0.271
local terms energy: -157.562854
where:
bonds (distance) C4'-P energy: -28.004
bonds (distance) P-C4' energy: -33.116
flat angles C4'-P-C4' energy: -37.565
flat angles P-C4'-P energy: -16.468
tors. eta vs tors. theta energy: -42.410
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: 5, replica: 8
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -550.302795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.302795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.302795 (E_RNA)
where:
Base-Base interactions energy: -392.139
where: short stacking energy: -167.840
Base-Backbone interact. energy: -1.058
local terms energy: -157.106167
where:
bonds (distance) C4'-P energy: -26.112
bonds (distance) P-C4' energy: -36.389
flat angles C4'-P-C4' energy: -31.163
flat angles P-C4'-P energy: -20.659
tors. eta vs tors. theta energy: -42.783
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: 4
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -471.127466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.127466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.127466 (E_RNA)
where:
Base-Base interactions energy: -316.611
where: short stacking energy: -134.397
Base-Backbone interact. energy: -0.947
local terms energy: -153.569257
where:
bonds (distance) C4'-P energy: -21.829
bonds (distance) P-C4' energy: -30.677
flat angles C4'-P-C4' energy: -36.821
flat angles P-C4'-P energy: -22.578
tors. eta vs tors. theta energy: -41.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -459.340635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.340635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.340635 (E_RNA)
where:
Base-Base interactions energy: -317.615
where: short stacking energy: -150.040
Base-Backbone interact. energy: 0.079
local terms energy: -141.804560
where:
bonds (distance) C4'-P energy: -27.504
bonds (distance) P-C4' energy: -27.376
flat angles C4'-P-C4' energy: -31.173
flat angles P-C4'-P energy: -20.373
tors. eta vs tors. theta energy: -35.378
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: 8, replica: 9
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -388.402795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.402795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.402795 (E_RNA)
where:
Base-Base interactions energy: -262.940
where: short stacking energy: -118.039
Base-Backbone interact. energy: 0.220
local terms energy: -125.682644
where:
bonds (distance) C4'-P energy: -29.063
bonds (distance) P-C4' energy: -30.939
flat angles C4'-P-C4' energy: -25.771
flat angles P-C4'-P energy: -17.646
tors. eta vs tors. theta energy: -22.264
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: 9, replica: 3
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -362.962608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.962608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.962608 (E_RNA)
where:
Base-Base interactions energy: -247.710
where: short stacking energy: -116.377
Base-Backbone interact. energy: 0.367
local terms energy: -115.619438
where:
bonds (distance) C4'-P energy: -19.812
bonds (distance) P-C4' energy: -23.934
flat angles C4'-P-C4' energy: -27.945
flat angles P-C4'-P energy: -17.353
tors. eta vs tors. theta energy: -26.575
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: 132
Temperature: 1.350000
Total energy: -329.921592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.921592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.921592 (E_RNA)
where:
Base-Base interactions energy: -202.025
where: short stacking energy: -75.835
Base-Backbone interact. energy: -0.238
local terms energy: -127.659159
where:
bonds (distance) C4'-P energy: -26.101
bonds (distance) P-C4' energy: -27.283
flat angles C4'-P-C4' energy: -34.570
flat angles P-C4'-P energy: -20.111
tors. eta vs tors. theta energy: -19.592
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: 1, replica: 2
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -580.894543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.894543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.894543 (E_RNA)
where:
Base-Base interactions energy: -403.837
where: short stacking energy: -184.755
Base-Backbone interact. energy: -0.733
local terms energy: -176.323978
where:
bonds (distance) C4'-P energy: -34.449
bonds (distance) P-C4' energy: -33.970
flat angles C4'-P-C4' energy: -32.318
flat angles P-C4'-P energy: -23.839
tors. eta vs tors. theta energy: -51.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -561.460623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.460623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.460623 (E_RNA)
where:
Base-Base interactions energy: -402.991
where: short stacking energy: -153.113
Base-Backbone interact. energy: -1.133
local terms energy: -157.336655
where:
bonds (distance) C4'-P energy: -31.554
bonds (distance) P-C4' energy: -27.531
flat angles C4'-P-C4' energy: -33.768
flat angles P-C4'-P energy: -24.058
tors. eta vs tors. theta energy: -40.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -546.318988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.318988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.318988 (E_RNA)
where:
Base-Base interactions energy: -382.702
where: short stacking energy: -165.056
Base-Backbone interact. energy: -0.111
local terms energy: -163.506097
where:
bonds (distance) C4'-P energy: -21.006
bonds (distance) P-C4' energy: -30.119
flat angles C4'-P-C4' energy: -37.301
flat angles P-C4'-P energy: -28.797
tors. eta vs tors. theta energy: -46.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -553.491438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.491438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.491438 (E_RNA)
where:
Base-Base interactions energy: -388.575
where: short stacking energy: -162.716
Base-Backbone interact. energy: -2.049
local terms energy: -162.867495
where:
bonds (distance) C4'-P energy: -29.459
bonds (distance) P-C4' energy: -29.673
flat angles C4'-P-C4' energy: -31.360
flat angles P-C4'-P energy: -26.576
tors. eta vs tors. theta energy: -45.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -521.618097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.618097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.618097 (E_RNA)
where:
Base-Base interactions energy: -357.101
where: short stacking energy: -159.487
Base-Backbone interact. energy: -1.678
local terms energy: -162.838467
where:
bonds (distance) C4'-P energy: -36.176
bonds (distance) P-C4' energy: -35.916
flat angles C4'-P-C4' energy: -35.409
flat angles P-C4'-P energy: -12.885
tors. eta vs tors. theta energy: -42.453
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: 1
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -466.957623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.957623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.957623 (E_RNA)
where:
Base-Base interactions energy: -319.526
where: short stacking energy: -136.663
Base-Backbone interact. energy: -0.034
local terms energy: -147.397838
where:
bonds (distance) C4'-P energy: -30.583
bonds (distance) P-C4' energy: -26.697
flat angles C4'-P-C4' energy: -31.078
flat angles P-C4'-P energy: -22.498
tors. eta vs tors. theta energy: -36.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -446.200696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.200696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.200696 (E_RNA)
where:
Base-Base interactions energy: -300.842
where: short stacking energy: -132.111
Base-Backbone interact. energy: -2.172
local terms energy: -143.187218
where:
bonds (distance) C4'-P energy: -27.144
bonds (distance) P-C4' energy: -25.458
flat angles C4'-P-C4' energy: -33.516
flat angles P-C4'-P energy: -21.400
tors. eta vs tors. theta energy: -35.669
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: 3
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -368.014633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.014633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.014633 (E_RNA)
where:
Base-Base interactions energy: -235.651
where: short stacking energy: -119.067
Base-Backbone interact. energy: -0.537
local terms energy: -131.826355
where:
bonds (distance) C4'-P energy: -34.848
bonds (distance) P-C4' energy: -26.728
flat angles C4'-P-C4' energy: -28.098
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: -28.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -365.282538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.282538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.282538 (E_RNA)
where:
Base-Base interactions energy: -239.542
where: short stacking energy: -117.330
Base-Backbone interact. energy: -1.108
local terms energy: -124.632769
where:
bonds (distance) C4'-P energy: -28.048
bonds (distance) P-C4' energy: -23.481
flat angles C4'-P-C4' energy: -31.258
flat angles P-C4'-P energy: -19.838
tors. eta vs tors. theta energy: -22.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -344.593105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.593105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.593105 (E_RNA)
where:
Base-Base interactions energy: -228.258
where: short stacking energy: -100.158
Base-Backbone interact. energy: -0.014
local terms energy: -116.320615
where:
bonds (distance) C4'-P energy: -26.750
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -27.912
flat angles P-C4'-P energy: -22.168
tors. eta vs tors. theta energy: -22.752
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: 2
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -578.021743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.021743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.021743 (E_RNA)
where:
Base-Base interactions energy: -401.882
where: short stacking energy: -183.867
Base-Backbone interact. energy: -0.131
local terms energy: -176.008806
where:
bonds (distance) C4'-P energy: -27.715
bonds (distance) P-C4' energy: -32.723
flat angles C4'-P-C4' energy: -38.656
flat angles P-C4'-P energy: -27.234
tors. eta vs tors. theta energy: -49.681
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: 7
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -570.051698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.051698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.051698 (E_RNA)
where:
Base-Base interactions energy: -398.814
where: short stacking energy: -171.582
Base-Backbone interact. energy: -0.967
local terms energy: -170.271234
where:
bonds (distance) C4'-P energy: -29.833
bonds (distance) P-C4' energy: -29.114
flat angles C4'-P-C4' energy: -38.627
flat angles P-C4'-P energy: -24.624
tors. eta vs tors. theta energy: -48.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -542.941802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.941802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.941802 (E_RNA)
where:
Base-Base interactions energy: -379.382
where: short stacking energy: -169.165
Base-Backbone interact. energy: -0.114
local terms energy: -163.446353
where:
bonds (distance) C4'-P energy: -29.271
bonds (distance) P-C4' energy: -27.749
flat angles C4'-P-C4' energy: -38.669
flat angles P-C4'-P energy: -16.672
tors. eta vs tors. theta energy: -51.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -551.208888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.208888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.208888 (E_RNA)
where:
Base-Base interactions energy: -391.477
where: short stacking energy: -171.004
Base-Backbone interact. energy: -0.020
local terms energy: -159.712128
where:
bonds (distance) C4'-P energy: -34.676
bonds (distance) P-C4' energy: -25.762
flat angles C4'-P-C4' energy: -28.202
flat angles P-C4'-P energy: -25.086
tors. eta vs tors. theta energy: -45.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -524.529755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.529755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.529755 (E_RNA)
where:
Base-Base interactions energy: -362.378
where: short stacking energy: -169.392
Base-Backbone interact. energy: -0.733
local terms energy: -161.417953
where:
bonds (distance) C4'-P energy: -27.217
bonds (distance) P-C4' energy: -33.866
flat angles C4'-P-C4' energy: -33.671
flat angles P-C4'-P energy: -20.528
tors. eta vs tors. theta energy: -46.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -470.496219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.496219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.496219 (E_RNA)
where:
Base-Base interactions energy: -313.680
where: short stacking energy: -129.945
Base-Backbone interact. energy: 0.978
local terms energy: -157.794340
where:
bonds (distance) C4'-P energy: -32.093
bonds (distance) P-C4' energy: -33.594
flat angles C4'-P-C4' energy: -32.140
flat angles P-C4'-P energy: -22.870
tors. eta vs tors. theta energy: -37.098
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: 4
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -429.006966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.006966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.006966 (E_RNA)
where:
Base-Base interactions energy: -294.765
where: short stacking energy: -120.275
Base-Backbone interact. energy: 0.153
local terms energy: -134.394245
where:
bonds (distance) C4'-P energy: -24.260
bonds (distance) P-C4' energy: -30.500
flat angles C4'-P-C4' energy: -33.807
flat angles P-C4'-P energy: -19.776
tors. eta vs tors. theta energy: -26.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -397.823135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.823135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.823135 (E_RNA)
where:
Base-Base interactions energy: -270.445
where: short stacking energy: -128.704
Base-Backbone interact. energy: 1.725
local terms energy: -129.102999
where:
bonds (distance) C4'-P energy: -24.244
bonds (distance) P-C4' energy: -31.038
flat angles C4'-P-C4' energy: -27.781
flat angles P-C4'-P energy: -22.419
tors. eta vs tors. theta energy: -23.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -364.896601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.896601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.896601 (E_RNA)
where:
Base-Base interactions energy: -244.024
where: short stacking energy: -105.251
Base-Backbone interact. energy: 0.808
local terms energy: -121.680339
where:
bonds (distance) C4'-P energy: -26.687
bonds (distance) P-C4' energy: -31.690
flat angles C4'-P-C4' energy: -18.799
flat angles P-C4'-P energy: -17.521
tors. eta vs tors. theta energy: -26.984
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: 134
Temperature: 1.350000
Total energy: -347.682860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.682860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.682860 (E_RNA)
where:
Base-Base interactions energy: -217.684
where: short stacking energy: -104.379
Base-Backbone interact. energy: 0.358
local terms energy: -130.356770
where:
bonds (distance) C4'-P energy: -23.473
bonds (distance) P-C4' energy: -28.003
flat angles C4'-P-C4' energy: -32.491
flat angles P-C4'-P energy: -23.068
tors. eta vs tors. theta energy: -23.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -579.275806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.275806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.275806 (E_RNA)
where:
Base-Base interactions energy: -412.967
where: short stacking energy: -184.161
Base-Backbone interact. energy: -0.249
local terms energy: -166.059923
where:
bonds (distance) C4'-P energy: -28.982
bonds (distance) P-C4' energy: -33.864
flat angles C4'-P-C4' energy: -36.215
flat angles P-C4'-P energy: -25.659
tors. eta vs tors. theta energy: -41.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -565.704523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.704523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.704523 (E_RNA)
where:
Base-Base interactions energy: -406.418
where: short stacking energy: -162.712
Base-Backbone interact. energy: -0.695
local terms energy: -158.591332
where:
bonds (distance) C4'-P energy: -30.715
bonds (distance) P-C4' energy: -30.986
flat angles C4'-P-C4' energy: -32.952
flat angles P-C4'-P energy: -22.417
tors. eta vs tors. theta energy: -41.521
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: 5
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -556.313782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.313782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.313782 (E_RNA)
where:
Base-Base interactions energy: -395.243
where: short stacking energy: -174.131
Base-Backbone interact. energy: -0.113
local terms energy: -160.957215
where:
bonds (distance) C4'-P energy: -29.727
bonds (distance) P-C4' energy: -27.775
flat angles C4'-P-C4' energy: -29.435
flat angles P-C4'-P energy: -22.691
tors. eta vs tors. theta energy: -51.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -533.562424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.562424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.562424 (E_RNA)
where:
Base-Base interactions energy: -382.762
where: short stacking energy: -160.193
Base-Backbone interact. energy: -0.458
local terms energy: -150.342687
where:
bonds (distance) C4'-P energy: -22.500
bonds (distance) P-C4' energy: -34.443
flat angles C4'-P-C4' energy: -27.274
flat angles P-C4'-P energy: -22.901
tors. eta vs tors. theta energy: -43.225
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: 6
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -519.616252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.616252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.616252 (E_RNA)
where:
Base-Base interactions energy: -357.305
where: short stacking energy: -166.298
Base-Backbone interact. energy: -0.703
local terms energy: -161.608342
where:
bonds (distance) C4'-P energy: -25.070
bonds (distance) P-C4' energy: -27.496
flat angles C4'-P-C4' energy: -36.671
flat angles P-C4'-P energy: -24.776
tors. eta vs tors. theta energy: -47.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -451.452458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.452458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.452458 (E_RNA)
where:
Base-Base interactions energy: -321.875
where: short stacking energy: -140.235
Base-Backbone interact. energy: -1.452
local terms energy: -128.125181
where:
bonds (distance) C4'-P energy: -21.443
bonds (distance) P-C4' energy: -24.238
flat angles C4'-P-C4' energy: -20.702
flat angles P-C4'-P energy: -22.809
tors. eta vs tors. theta energy: -38.932
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: 1
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -472.546853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.546853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.546853 (E_RNA)
where:
Base-Base interactions energy: -337.290
where: short stacking energy: -147.970
Base-Backbone interact. energy: -0.112
local terms energy: -135.144552
where:
bonds (distance) C4'-P energy: -32.061
bonds (distance) P-C4' energy: -21.903
flat angles C4'-P-C4' energy: -26.473
flat angles P-C4'-P energy: -17.074
tors. eta vs tors. theta energy: -37.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -399.468909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.468909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.468909 (E_RNA)
where:
Base-Base interactions energy: -275.392
where: short stacking energy: -122.800
Base-Backbone interact. energy: 0.927
local terms energy: -125.003699
where:
bonds (distance) C4'-P energy: -25.968
bonds (distance) P-C4' energy: -24.114
flat angles C4'-P-C4' energy: -30.765
flat angles P-C4'-P energy: -14.511
tors. eta vs tors. theta energy: -29.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -377.206615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.206615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.206615 (E_RNA)
where:
Base-Base interactions energy: -233.708
where: short stacking energy: -98.046
Base-Backbone interact. energy: -0.870
local terms energy: -142.629343
where:
bonds (distance) C4'-P energy: -28.727
bonds (distance) P-C4' energy: -32.633
flat angles C4'-P-C4' energy: -30.940
flat angles P-C4'-P energy: -26.663
tors. eta vs tors. theta energy: -23.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -321.276019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.276019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.276019 (E_RNA)
where:
Base-Base interactions energy: -208.103
where: short stacking energy: -89.724
Base-Backbone interact. energy: -0.119
local terms energy: -113.054154
where:
bonds (distance) C4'-P energy: -24.156
bonds (distance) P-C4' energy: -26.669
flat angles C4'-P-C4' energy: -21.717
flat angles P-C4'-P energy: -19.934
tors. eta vs tors. theta energy: -20.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -585.482969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.482969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.482969 (E_RNA)
where:
Base-Base interactions energy: -406.333
where: short stacking energy: -165.255
Base-Backbone interact. energy: -1.778
local terms energy: -177.371683
where:
bonds (distance) C4'-P energy: -34.375
bonds (distance) P-C4' energy: -34.554
flat angles C4'-P-C4' energy: -29.521
flat angles P-C4'-P energy: -28.789
tors. eta vs tors. theta energy: -50.133
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: 2
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -574.564563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.564563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.564563 (E_RNA)
where:
Base-Base interactions energy: -405.604
where: short stacking energy: -178.269
Base-Backbone interact. energy: 0.763
local terms energy: -169.723982
where:
bonds (distance) C4'-P energy: -30.608
bonds (distance) P-C4' energy: -31.870
flat angles C4'-P-C4' energy: -32.403
flat angles P-C4'-P energy: -25.611
tors. eta vs tors. theta energy: -49.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -556.886571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.886571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.886571 (E_RNA)
where:
Base-Base interactions energy: -393.780
where: short stacking energy: -170.468
Base-Backbone interact. energy: 0.087
local terms energy: -163.193275
where:
bonds (distance) C4'-P energy: -34.150
bonds (distance) P-C4' energy: -27.100
flat angles C4'-P-C4' energy: -30.064
flat angles P-C4'-P energy: -17.678
tors. eta vs tors. theta energy: -54.201
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: 4, replica: 8
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -538.640139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.640139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.640139 (E_RNA)
where:
Base-Base interactions energy: -372.664
where: short stacking energy: -161.691
Base-Backbone interact. energy: -1.276
local terms energy: -164.699883
where:
bonds (distance) C4'-P energy: -27.472
bonds (distance) P-C4' energy: -29.752
flat angles C4'-P-C4' energy: -35.443
flat angles P-C4'-P energy: -27.784
tors. eta vs tors. theta energy: -44.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -519.914761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.914761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.914761 (E_RNA)
where:
Base-Base interactions energy: -365.888
where: short stacking energy: -168.745
Base-Backbone interact. energy: -0.928
local terms energy: -153.098855
where:
bonds (distance) C4'-P energy: -28.861
bonds (distance) P-C4' energy: -31.918
flat angles C4'-P-C4' energy: -28.391
flat angles P-C4'-P energy: -21.080
tors. eta vs tors. theta energy: -42.849
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: 4
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -466.760808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.760808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.760808 (E_RNA)
where:
Base-Base interactions energy: -317.064
where: short stacking energy: -139.844
Base-Backbone interact. energy: 0.625
local terms energy: -150.321950
where:
bonds (distance) C4'-P energy: -25.909
bonds (distance) P-C4' energy: -33.236
flat angles C4'-P-C4' energy: -34.367
flat angles P-C4'-P energy: -23.320
tors. eta vs tors. theta energy: -33.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -471.292013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.292013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.292013 (E_RNA)
where:
Base-Base interactions energy: -316.923
where: short stacking energy: -137.095
Base-Backbone interact. energy: -0.673
local terms energy: -153.696552
where:
bonds (distance) C4'-P energy: -28.012
bonds (distance) P-C4' energy: -35.301
flat angles C4'-P-C4' energy: -38.028
flat angles P-C4'-P energy: -16.379
tors. eta vs tors. theta energy: -35.976
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: 8, replica: 9
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -417.814974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.814974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.814974 (E_RNA)
where:
Base-Base interactions energy: -269.706
where: short stacking energy: -131.361
Base-Backbone interact. energy: -0.205
local terms energy: -147.904109
where:
bonds (distance) C4'-P energy: -25.225
bonds (distance) P-C4' energy: -31.891
flat angles C4'-P-C4' energy: -34.351
flat angles P-C4'-P energy: -21.838
tors. eta vs tors. theta energy: -34.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -322.572680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.572680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.572680 (E_RNA)
where:
Base-Base interactions energy: -198.226
where: short stacking energy: -90.155
Base-Backbone interact. energy: -0.196
local terms energy: -124.150630
where:
bonds (distance) C4'-P energy: -24.911
bonds (distance) P-C4' energy: -28.648
flat angles C4'-P-C4' energy: -32.104
flat angles P-C4'-P energy: -25.608
tors. eta vs tors. theta energy: -12.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -303.731860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.731860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.731860 (E_RNA)
where:
Base-Base interactions energy: -198.360
where: short stacking energy: -83.549
Base-Backbone interact. energy: -0.355
local terms energy: -105.016637
where:
bonds (distance) C4'-P energy: -32.884
bonds (distance) P-C4' energy: -29.145
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: -12.099
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: 1, replica: 7
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -581.014904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.014904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.014904 (E_RNA)
where:
Base-Base interactions energy: -410.986
where: short stacking energy: -174.431
Base-Backbone interact. energy: -0.909
local terms energy: -169.120240
where:
bonds (distance) C4'-P energy: -29.401
bonds (distance) P-C4' energy: -39.432
flat angles C4'-P-C4' energy: -28.679
flat angles P-C4'-P energy: -24.445
tors. eta vs tors. theta energy: -47.164
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: 2
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -552.438932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.438932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.438932 (E_RNA)
where:
Base-Base interactions energy: -378.395
where: short stacking energy: -174.966
Base-Backbone interact. energy: -0.148
local terms energy: -173.895503
where:
bonds (distance) C4'-P energy: -32.368
bonds (distance) P-C4' energy: -35.028
flat angles C4'-P-C4' energy: -31.499
flat angles P-C4'-P energy: -25.106
tors. eta vs tors. theta energy: -49.895
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: 3, replica: 5
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -554.639021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.639021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.639021 (E_RNA)
where:
Base-Base interactions energy: -396.177
where: short stacking energy: -168.064
Base-Backbone interact. energy: -1.330
local terms energy: -157.132060
where:
bonds (distance) C4'-P energy: -31.360
bonds (distance) P-C4' energy: -22.265
flat angles C4'-P-C4' energy: -30.364
flat angles P-C4'-P energy: -24.843
tors. eta vs tors. theta energy: -48.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -533.406588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.406588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.406588 (E_RNA)
where:
Base-Base interactions energy: -368.216
where: short stacking energy: -160.608
Base-Backbone interact. energy: -0.208
local terms energy: -164.982211
where:
bonds (distance) C4'-P energy: -34.518
bonds (distance) P-C4' energy: -29.521
flat angles C4'-P-C4' energy: -34.803
flat angles P-C4'-P energy: -20.024
tors. eta vs tors. theta energy: -46.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -531.196930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.196930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.196930 (E_RNA)
where:
Base-Base interactions energy: -366.197
where: short stacking energy: -165.822
Base-Backbone interact. energy: -0.100
local terms energy: -164.899669
where:
bonds (distance) C4'-P energy: -29.521
bonds (distance) P-C4' energy: -32.991
flat angles C4'-P-C4' energy: -34.391
flat angles P-C4'-P energy: -22.589
tors. eta vs tors. theta energy: -45.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -490.744390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.744390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.744390 (E_RNA)
where:
Base-Base interactions energy: -342.698
where: short stacking energy: -152.499
Base-Backbone interact. energy: -1.045
local terms energy: -147.001478
where:
bonds (distance) C4'-P energy: -25.341
bonds (distance) P-C4' energy: -32.711
flat angles C4'-P-C4' energy: -30.989
flat angles P-C4'-P energy: -15.798
tors. eta vs tors. theta energy: -42.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -420.016409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.016409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.016409 (E_RNA)
where:
Base-Base interactions energy: -263.863
where: short stacking energy: -138.245
Base-Backbone interact. energy: -0.011
local terms energy: -156.141733
where:
bonds (distance) C4'-P energy: -29.076
bonds (distance) P-C4' energy: -37.160
flat angles C4'-P-C4' energy: -38.078
flat angles P-C4'-P energy: -16.908
tors. eta vs tors. theta energy: -34.920
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: 9
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -406.378422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.378422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.378422 (E_RNA)
where:
Base-Base interactions energy: -259.954
where: short stacking energy: -123.127
Base-Backbone interact. energy: 1.719
local terms energy: -148.143769
where:
bonds (distance) C4'-P energy: -31.066
bonds (distance) P-C4' energy: -32.018
flat angles C4'-P-C4' energy: -31.676
flat angles P-C4'-P energy: -20.520
tors. eta vs tors. theta energy: -32.863
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: 10
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -353.658564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.658564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.658564 (E_RNA)
where:
Base-Base interactions energy: -225.380
where: short stacking energy: -105.626
Base-Backbone interact. energy: -0.172
local terms energy: -128.107036
where:
bonds (distance) C4'-P energy: -26.156
bonds (distance) P-C4' energy: -22.887
flat angles C4'-P-C4' energy: -32.383
flat angles P-C4'-P energy: -27.152
tors. eta vs tors. theta energy: -19.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -288.741461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.741461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.741461 (E_RNA)
where:
Base-Base interactions energy: -188.023
where: short stacking energy: -77.628
Base-Backbone interact. energy: -1.263
local terms energy: -99.455483
where:
bonds (distance) C4'-P energy: -26.390
bonds (distance) P-C4' energy: -29.536
flat angles C4'-P-C4' energy: -29.961
flat angles P-C4'-P energy: -4.911
tors. eta vs tors. theta energy: -8.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -570.657489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.657489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.657489 (E_RNA)
where:
Base-Base interactions energy: -392.836
where: short stacking energy: -175.094
Base-Backbone interact. energy: -0.699
local terms energy: -177.123049
where:
bonds (distance) C4'-P energy: -33.568
bonds (distance) P-C4' energy: -33.471
flat angles C4'-P-C4' energy: -35.070
flat angles P-C4'-P energy: -27.925
tors. eta vs tors. theta energy: -47.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -574.864564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.864564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.864564 (E_RNA)
where:
Base-Base interactions energy: -398.774
where: short stacking energy: -168.462
Base-Backbone interact. energy: -0.272
local terms energy: -175.819004
where:
bonds (distance) C4'-P energy: -34.046
bonds (distance) P-C4' energy: -33.103
flat angles C4'-P-C4' energy: -39.846
flat angles P-C4'-P energy: -20.407
tors. eta vs tors. theta energy: -48.417
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: 8
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -538.249403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.249403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.249403 (E_RNA)
where:
Base-Base interactions energy: -375.146
where: short stacking energy: -158.426
Base-Backbone interact. energy: -0.245
local terms energy: -162.858614
where:
bonds (distance) C4'-P energy: -33.104
bonds (distance) P-C4' energy: -29.837
flat angles C4'-P-C4' energy: -39.570
flat angles P-C4'-P energy: -18.771
tors. eta vs tors. theta energy: -41.577
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: 4, replica: 5
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -534.571889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.571889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.571889 (E_RNA)
where:
Base-Base interactions energy: -373.911
where: short stacking energy: -168.541
Base-Backbone interact. energy: -0.323
local terms energy: -160.337695
where:
bonds (distance) C4'-P energy: -19.585
bonds (distance) P-C4' energy: -31.677
flat angles C4'-P-C4' energy: -33.978
flat angles P-C4'-P energy: -22.494
tors. eta vs tors. theta energy: -52.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -514.913006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.913006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.913006 (E_RNA)
where:
Base-Base interactions energy: -354.776
where: short stacking energy: -158.664
Base-Backbone interact. energy: -1.385
local terms energy: -158.752176
where:
bonds (distance) C4'-P energy: -21.136
bonds (distance) P-C4' energy: -28.433
flat angles C4'-P-C4' energy: -38.176
flat angles P-C4'-P energy: -25.613
tors. eta vs tors. theta energy: -45.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -487.173539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.173539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.173539 (E_RNA)
where:
Base-Base interactions energy: -345.186
where: short stacking energy: -151.452
Base-Backbone interact. energy: -0.629
local terms energy: -141.358910
where:
bonds (distance) C4'-P energy: -30.802
bonds (distance) P-C4' energy: -23.200
flat angles C4'-P-C4' energy: -31.137
flat angles P-C4'-P energy: -20.251
tors. eta vs tors. theta energy: -35.969
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: 7, replica: 9
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -408.930304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.930304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.930304 (E_RNA)
where:
Base-Base interactions energy: -264.206
where: short stacking energy: -125.664
Base-Backbone interact. energy: -0.408
local terms energy: -144.316385
where:
bonds (distance) C4'-P energy: -30.147
bonds (distance) P-C4' energy: -29.012
flat angles C4'-P-C4' energy: -30.300
flat angles P-C4'-P energy: -21.187
tors. eta vs tors. theta energy: -33.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -375.085206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.085206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.085206 (E_RNA)
where:
Base-Base interactions energy: -242.757
where: short stacking energy: -126.249
Base-Backbone interact. energy: 0.250
local terms energy: -132.578114
where:
bonds (distance) C4'-P energy: -29.133
bonds (distance) P-C4' energy: -34.057
flat angles C4'-P-C4' energy: -29.804
flat angles P-C4'-P energy: -18.965
tors. eta vs tors. theta energy: -20.619
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: 3
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -368.860088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.860088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.860088 (E_RNA)
where:
Base-Base interactions energy: -244.242
where: short stacking energy: -104.984
Base-Backbone interact. energy: -0.139
local terms energy: -124.478660
where:
bonds (distance) C4'-P energy: -24.819
bonds (distance) P-C4' energy: -21.185
flat angles C4'-P-C4' energy: -31.533
flat angles P-C4'-P energy: -26.723
tors. eta vs tors. theta energy: -20.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -345.694594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.694594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.694594 (E_RNA)
where:
Base-Base interactions energy: -221.351
where: short stacking energy: -106.176
Base-Backbone interact. energy: -0.384
local terms energy: -123.959891
where:
bonds (distance) C4'-P energy: -25.622
bonds (distance) P-C4' energy: -25.850
flat angles C4'-P-C4' energy: -25.928
flat angles P-C4'-P energy: -26.407
tors. eta vs tors. theta energy: -20.153
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: 2
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -574.132640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.132640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.132640 (E_RNA)
where:
Base-Base interactions energy: -398.591
where: short stacking energy: -178.514
Base-Backbone interact. energy: -0.040
local terms energy: -175.501905
where:
bonds (distance) C4'-P energy: -33.627
bonds (distance) P-C4' energy: -36.480
flat angles C4'-P-C4' energy: -36.988
flat angles P-C4'-P energy: -21.447
tors. eta vs tors. theta energy: -46.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -556.131776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.131776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.131776 (E_RNA)
where:
Base-Base interactions energy: -392.902
where: short stacking energy: -163.535
Base-Backbone interact. energy: -0.103
local terms energy: -163.126742
where:
bonds (distance) C4'-P energy: -29.542
bonds (distance) P-C4' energy: -33.856
flat angles C4'-P-C4' energy: -31.703
flat angles P-C4'-P energy: -27.132
tors. eta vs tors. theta energy: -40.893
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: 7
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -570.797383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.797383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.797383 (E_RNA)
where:
Base-Base interactions energy: -404.686
where: short stacking energy: -168.566
Base-Backbone interact. energy: -2.738
local terms energy: -163.373868
where:
bonds (distance) C4'-P energy: -29.876
bonds (distance) P-C4' energy: -32.742
flat angles C4'-P-C4' energy: -31.825
flat angles P-C4'-P energy: -19.881
tors. eta vs tors. theta energy: -49.051
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: 5
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -544.996518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.996518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.996518 (E_RNA)
where:
Base-Base interactions energy: -375.510
where: short stacking energy: -159.164
Base-Backbone interact. energy: -0.362
local terms energy: -169.124499
where:
bonds (distance) C4'-P energy: -29.774
bonds (distance) P-C4' energy: -33.709
flat angles C4'-P-C4' energy: -31.405
flat angles P-C4'-P energy: -27.593
tors. eta vs tors. theta energy: -46.645
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: 5, replica: 6
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -521.946083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.946083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.946083 (E_RNA)
where:
Base-Base interactions energy: -358.341
where: short stacking energy: -151.456
Base-Backbone interact. energy: -0.333
local terms energy: -163.272344
where:
bonds (distance) C4'-P energy: -29.826
bonds (distance) P-C4' energy: -34.604
flat angles C4'-P-C4' energy: -34.028
flat angles P-C4'-P energy: -21.952
tors. eta vs tors. theta energy: -42.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -500.753438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.753438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.753438 (E_RNA)
where:
Base-Base interactions energy: -355.163
where: short stacking energy: -150.500
Base-Backbone interact. energy: -0.206
local terms energy: -145.384744
where:
bonds (distance) C4'-P energy: -23.967
bonds (distance) P-C4' energy: -33.038
flat angles C4'-P-C4' energy: -30.553
flat angles P-C4'-P energy: -18.494
tors. eta vs tors. theta energy: -39.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -392.558961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.558961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.558961 (E_RNA)
where:
Base-Base interactions energy: -259.071
where: short stacking energy: -122.559
Base-Backbone interact. energy: 1.601
local terms energy: -135.088918
where:
bonds (distance) C4'-P energy: -25.954
bonds (distance) P-C4' energy: -30.044
flat angles C4'-P-C4' energy: -34.615
flat angles P-C4'-P energy: -20.023
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: 8, replica: 3
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -427.685814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.685814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.685814 (E_RNA)
where:
Base-Base interactions energy: -293.733
where: short stacking energy: -135.994
Base-Backbone interact. energy: -0.214
local terms energy: -133.738543
where:
bonds (distance) C4'-P energy: -29.676
bonds (distance) P-C4' energy: -26.347
flat angles C4'-P-C4' energy: -36.345
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -28.619
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: 4
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -366.931123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.931123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.931123 (E_RNA)
where:
Base-Base interactions energy: -246.421
where: short stacking energy: -112.286
Base-Backbone interact. energy: -0.342
local terms energy: -120.169011
where:
bonds (distance) C4'-P energy: -28.414
bonds (distance) P-C4' energy: -24.747
flat angles C4'-P-C4' energy: -30.097
flat angles P-C4'-P energy: -16.017
tors. eta vs tors. theta energy: -20.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -327.247009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.247009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.247009 (E_RNA)
where:
Base-Base interactions energy: -203.858
where: short stacking energy: -89.665
Base-Backbone interact. energy: -0.139
local terms energy: -123.249712
where:
bonds (distance) C4'-P energy: -26.775
bonds (distance) P-C4' energy: -26.586
flat angles C4'-P-C4' energy: -30.811
flat angles P-C4'-P energy: -16.030
tors. eta vs tors. theta energy: -23.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -574.485805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.485805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.485805 (E_RNA)
where:
Base-Base interactions energy: -394.881
where: short stacking energy: -167.281
Base-Backbone interact. energy: -0.430
local terms energy: -179.175172
where:
bonds (distance) C4'-P energy: -34.055
bonds (distance) P-C4' energy: -36.430
flat angles C4'-P-C4' energy: -34.607
flat angles P-C4'-P energy: -23.313
tors. eta vs tors. theta energy: -50.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -568.571713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.571713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.571713 (E_RNA)
where:
Base-Base interactions energy: -391.857
where: short stacking energy: -176.967
Base-Backbone interact. energy: -0.628
local terms energy: -176.086583
where:
bonds (distance) C4'-P energy: -32.052
bonds (distance) P-C4' energy: -36.062
flat angles C4'-P-C4' energy: -35.138
flat angles P-C4'-P energy: -20.911
tors. eta vs tors. theta energy: -51.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -562.556281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.556281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.556281 (E_RNA)
where:
Base-Base interactions energy: -391.299
where: short stacking energy: -164.544
Base-Backbone interact. energy: -0.663
local terms energy: -170.594678
where:
bonds (distance) C4'-P energy: -38.092
bonds (distance) P-C4' energy: -32.496
flat angles C4'-P-C4' energy: -28.476
flat angles P-C4'-P energy: -22.756
tors. eta vs tors. theta energy: -48.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -558.372724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.372724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.372724 (E_RNA)
where:
Base-Base interactions energy: -397.145
where: short stacking energy: -169.053
Base-Backbone interact. energy: -0.557
local terms energy: -160.670551
where:
bonds (distance) C4'-P energy: -32.405
bonds (distance) P-C4' energy: -27.367
flat angles C4'-P-C4' energy: -29.959
flat angles P-C4'-P energy: -21.700
tors. eta vs tors. theta energy: -49.240
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: 6
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -532.323372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.323372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.323372 (E_RNA)
where:
Base-Base interactions energy: -359.939
where: short stacking energy: -164.446
Base-Backbone interact. energy: -0.108
local terms energy: -172.277164
where:
bonds (distance) C4'-P energy: -34.063
bonds (distance) P-C4' energy: -29.668
flat angles C4'-P-C4' energy: -34.768
flat angles P-C4'-P energy: -22.672
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: 6, replica: 1
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -514.587848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.587848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.587848 (E_RNA)
where:
Base-Base interactions energy: -367.873
where: short stacking energy: -152.921
Base-Backbone interact. energy: -1.117
local terms energy: -145.597528
where:
bonds (distance) C4'-P energy: -25.163
bonds (distance) P-C4' energy: -26.634
flat angles C4'-P-C4' energy: -30.658
flat angles P-C4'-P energy: -23.108
tors. eta vs tors. theta energy: -40.035
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: 7, replica: 3
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -428.228272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.228272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.228272 (E_RNA)
where:
Base-Base interactions energy: -278.962
where: short stacking energy: -122.850
Base-Backbone interact. energy: 1.363
local terms energy: -150.629789
where:
bonds (distance) C4'-P energy: -29.918
bonds (distance) P-C4' energy: -35.041
flat angles C4'-P-C4' energy: -33.598
flat angles P-C4'-P energy: -22.988
tors. eta vs tors. theta energy: -29.086
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: 9
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -401.108378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.108378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.108378 (E_RNA)
where:
Base-Base interactions energy: -265.072
where: short stacking energy: -115.950
Base-Backbone interact. energy: -0.216
local terms energy: -135.821033
where:
bonds (distance) C4'-P energy: -28.843
bonds (distance) P-C4' energy: -29.831
flat angles C4'-P-C4' energy: -27.790
flat angles P-C4'-P energy: -15.502
tors. eta vs tors. theta energy: -33.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -414.427479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.427479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.427479 (E_RNA)
where:
Base-Base interactions energy: -282.337
where: short stacking energy: -122.341
Base-Backbone interact. energy: 2.591
local terms energy: -134.681549
where:
bonds (distance) C4'-P energy: -30.610
bonds (distance) P-C4' energy: -31.623
flat angles C4'-P-C4' energy: -26.344
flat angles P-C4'-P energy: -22.610
tors. eta vs tors. theta energy: -23.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -328.196557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.196557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.196557 (E_RNA)
where:
Base-Base interactions energy: -209.263
where: short stacking energy: -97.548
Base-Backbone interact. energy: -1.140
local terms energy: -117.793286
where:
bonds (distance) C4'-P energy: -24.651
bonds (distance) P-C4' energy: -26.192
flat angles C4'-P-C4' energy: -27.363
flat angles P-C4'-P energy: -18.150
tors. eta vs tors. theta energy: -21.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -580.795067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.795067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.795067 (E_RNA)
where:
Base-Base interactions energy: -408.581
where: short stacking energy: -163.623
Base-Backbone interact. energy: -1.630
local terms energy: -170.583834
where:
bonds (distance) C4'-P energy: -30.716
bonds (distance) P-C4' energy: -34.260
flat angles C4'-P-C4' energy: -30.896
flat angles P-C4'-P energy: -23.668
tors. eta vs tors. theta energy: -51.043
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: 141
Temperature: 0.950000
Total energy: -574.704214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.704214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.704214 (E_RNA)
where:
Base-Base interactions energy: -400.861
where: short stacking energy: -171.703
Base-Backbone interact. energy: -0.413
local terms energy: -173.429989
where:
bonds (distance) C4'-P energy: -35.111
bonds (distance) P-C4' energy: -30.573
flat angles C4'-P-C4' energy: -32.806
flat angles P-C4'-P energy: -23.643
tors. eta vs tors. theta energy: -51.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -564.261888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.261888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.261888 (E_RNA)
where:
Base-Base interactions energy: -390.174
where: short stacking energy: -167.538
Base-Backbone interact. energy: -0.072
local terms energy: -174.015923
where:
bonds (distance) C4'-P energy: -29.907
bonds (distance) P-C4' energy: -33.039
flat angles C4'-P-C4' energy: -36.416
flat angles P-C4'-P energy: -24.692
tors. eta vs tors. theta energy: -49.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -551.523888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.523888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.523888 (E_RNA)
where:
Base-Base interactions energy: -384.421
where: short stacking energy: -174.892
Base-Backbone interact. energy: -0.288
local terms energy: -166.814490
where:
bonds (distance) C4'-P energy: -28.527
bonds (distance) P-C4' energy: -27.485
flat angles C4'-P-C4' energy: -37.546
flat angles P-C4'-P energy: -24.142
tors. eta vs tors. theta energy: -49.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -517.709050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.709050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.709050 (E_RNA)
where:
Base-Base interactions energy: -351.399
where: short stacking energy: -160.349
Base-Backbone interact. energy: -0.234
local terms energy: -166.076124
where:
bonds (distance) C4'-P energy: -25.373
bonds (distance) P-C4' energy: -36.419
flat angles C4'-P-C4' energy: -38.827
flat angles P-C4'-P energy: -19.582
tors. eta vs tors. theta energy: -45.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -514.782352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.782352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.782352 (E_RNA)
where:
Base-Base interactions energy: -373.772
where: short stacking energy: -150.588
Base-Backbone interact. energy: -0.900
local terms energy: -140.109798
where:
bonds (distance) C4'-P energy: -23.735
bonds (distance) P-C4' energy: -23.333
flat angles C4'-P-C4' energy: -35.998
flat angles P-C4'-P energy: -18.987
tors. eta vs tors. theta energy: -38.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -471.383220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.383220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.383220 (E_RNA)
where:
Base-Base interactions energy: -326.063
where: short stacking energy: -126.669
Base-Backbone interact. energy: -1.964
local terms energy: -143.356235
where:
bonds (distance) C4'-P energy: -30.141
bonds (distance) P-C4' energy: -27.671
flat angles C4'-P-C4' energy: -29.050
flat angles P-C4'-P energy: -24.610
tors. eta vs tors. theta energy: -31.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -401.032273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.032273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.032273 (E_RNA)
where:
Base-Base interactions energy: -274.785
where: short stacking energy: -118.291
Base-Backbone interact. energy: -0.595
local terms energy: -125.652851
where:
bonds (distance) C4'-P energy: -21.102
bonds (distance) P-C4' energy: -25.416
flat angles C4'-P-C4' energy: -30.474
flat angles P-C4'-P energy: -21.884
tors. eta vs tors. theta energy: -26.777
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: 141
Temperature: 1.300000
Total energy: -334.303173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.303173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.303173 (E_RNA)
where:
Base-Base interactions energy: -229.202
where: short stacking energy: -109.400
Base-Backbone interact. energy: 0.930
local terms energy: -106.031747
where:
bonds (distance) C4'-P energy: -26.698
bonds (distance) P-C4' energy: -23.681
flat angles C4'-P-C4' energy: -29.769
flat angles P-C4'-P energy: -5.642
tors. eta vs tors. theta energy: -20.242
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: 141
Temperature: 1.350000
Total energy: -379.648139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.648139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.648139 (E_RNA)
where:
Base-Base interactions energy: -257.911
where: short stacking energy: -114.879
Base-Backbone interact. energy: 1.055
local terms energy: -122.791646
where:
bonds (distance) C4'-P energy: -26.641
bonds (distance) P-C4' energy: -23.234
flat angles C4'-P-C4' energy: -29.750
flat angles P-C4'-P energy: -15.073
tors. eta vs tors. theta energy: -28.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -584.530929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.530929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.530929 (E_RNA)
where:
Base-Base interactions energy: -406.086
where: short stacking energy: -170.639
Base-Backbone interact. energy: -2.786
local terms energy: -175.659295
where:
bonds (distance) C4'-P energy: -32.462
bonds (distance) P-C4' energy: -34.752
flat angles C4'-P-C4' energy: -34.085
flat angles P-C4'-P energy: -25.475
tors. eta vs tors. theta energy: -48.886
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: 2
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -562.848454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.848454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.848454 (E_RNA)
where:
Base-Base interactions energy: -397.889
where: short stacking energy: -173.120
Base-Backbone interact. energy: 0.353
local terms energy: -165.312890
where:
bonds (distance) C4'-P energy: -32.005
bonds (distance) P-C4' energy: -27.889
flat angles C4'-P-C4' energy: -31.682
flat angles P-C4'-P energy: -24.629
tors. eta vs tors. theta energy: -49.108
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: 5
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -556.984823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.984823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.984823 (E_RNA)
where:
Base-Base interactions energy: -393.848
where: short stacking energy: -170.003
Base-Backbone interact. energy: -0.185
local terms energy: -162.952245
where:
bonds (distance) C4'-P energy: -33.591
bonds (distance) P-C4' energy: -29.746
flat angles C4'-P-C4' energy: -32.079
flat angles P-C4'-P energy: -22.160
tors. eta vs tors. theta energy: -45.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -535.164070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.164070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.164070 (E_RNA)
where:
Base-Base interactions energy: -372.942
where: short stacking energy: -155.713
Base-Backbone interact. energy: -2.433
local terms energy: -159.789127
where:
bonds (distance) C4'-P energy: -22.955
bonds (distance) P-C4' energy: -36.193
flat angles C4'-P-C4' energy: -31.190
flat angles P-C4'-P energy: -28.782
tors. eta vs tors. theta energy: -40.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -529.669627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.669627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.669627 (E_RNA)
where:
Base-Base interactions energy: -360.642
where: short stacking energy: -166.100
Base-Backbone interact. energy: -0.493
local terms energy: -168.535242
where:
bonds (distance) C4'-P energy: -36.962
bonds (distance) P-C4' energy: -26.904
flat angles C4'-P-C4' energy: -29.557
flat angles P-C4'-P energy: -25.708
tors. eta vs tors. theta energy: -49.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -504.059931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.059931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.059931 (E_RNA)
where:
Base-Base interactions energy: -358.035
where: short stacking energy: -145.225
Base-Backbone interact. energy: -2.128
local terms energy: -143.897265
where:
bonds (distance) C4'-P energy: -33.815
bonds (distance) P-C4' energy: -30.587
flat angles C4'-P-C4' energy: -26.554
flat angles P-C4'-P energy: -22.513
tors. eta vs tors. theta energy: -30.428
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: 3
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -461.251128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.251128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.251128 (E_RNA)
where:
Base-Base interactions energy: -318.503
where: short stacking energy: -143.777
Base-Backbone interact. energy: -0.166
local terms energy: -142.581377
where:
bonds (distance) C4'-P energy: -28.774
bonds (distance) P-C4' energy: -31.177
flat angles C4'-P-C4' energy: -28.743
flat angles P-C4'-P energy: -20.358
tors. eta vs tors. theta energy: -33.529
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: 8, replica: 4
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -376.382280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.382280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.382280 (E_RNA)
where:
Base-Base interactions energy: -247.401
where: short stacking energy: -117.401
Base-Backbone interact. energy: -1.493
local terms energy: -127.487929
where:
bonds (distance) C4'-P energy: -25.740
bonds (distance) P-C4' energy: -29.463
flat angles C4'-P-C4' energy: -30.513
flat angles P-C4'-P energy: -21.575
tors. eta vs tors. theta energy: -20.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -356.194855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.194855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.194855 (E_RNA)
where:
Base-Base interactions energy: -239.206
where: short stacking energy: -121.574
Base-Backbone interact. energy: -0.161
local terms energy: -116.827477
where:
bonds (distance) C4'-P energy: -29.596
bonds (distance) P-C4' energy: -20.206
flat angles C4'-P-C4' energy: -26.271
flat angles P-C4'-P energy: -16.387
tors. eta vs tors. theta energy: -24.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -314.538403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.538403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.538403 (E_RNA)
where:
Base-Base interactions energy: -198.797
where: short stacking energy: -99.226
Base-Backbone interact. energy: -0.654
local terms energy: -115.087502
where:
bonds (distance) C4'-P energy: -26.245
bonds (distance) P-C4' energy: -25.258
flat angles C4'-P-C4' energy: -29.052
flat angles P-C4'-P energy: -14.477
tors. eta vs tors. theta energy: -20.056
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: 8
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -587.994726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.994726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.994726 (E_RNA)
where:
Base-Base interactions energy: -414.955
where: short stacking energy: -184.161
Base-Backbone interact. energy: -0.072
local terms energy: -172.967354
where:
bonds (distance) C4'-P energy: -23.874
bonds (distance) P-C4' energy: -37.628
flat angles C4'-P-C4' energy: -35.806
flat angles P-C4'-P energy: -25.384
tors. eta vs tors. theta energy: -50.276
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: 2, replica: 2
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -580.476923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.476923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.476923 (E_RNA)
where:
Base-Base interactions energy: -413.754
where: short stacking energy: -167.895
Base-Backbone interact. energy: -1.192
local terms energy: -165.530830
where:
bonds (distance) C4'-P energy: -27.874
bonds (distance) P-C4' energy: -24.817
flat angles C4'-P-C4' energy: -34.911
flat angles P-C4'-P energy: -28.082
tors. eta vs tors. theta energy: -49.847
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: 3, replica: 5
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -559.902889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.902889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.902889 (E_RNA)
where:
Base-Base interactions energy: -383.418
where: short stacking energy: -166.856
Base-Backbone interact. energy: -1.452
local terms energy: -175.032160
where:
bonds (distance) C4'-P energy: -26.068
bonds (distance) P-C4' energy: -35.797
flat angles C4'-P-C4' energy: -35.441
flat angles P-C4'-P energy: -26.822
tors. eta vs tors. theta energy: -50.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -541.774661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.774661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.774661 (E_RNA)
where:
Base-Base interactions energy: -383.021
where: short stacking energy: -162.172
Base-Backbone interact. energy: -0.623
local terms energy: -158.131042
where:
bonds (distance) C4'-P energy: -24.825
bonds (distance) P-C4' energy: -31.217
flat angles C4'-P-C4' energy: -33.163
flat angles P-C4'-P energy: -22.567
tors. eta vs tors. theta energy: -46.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -528.842380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.842380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.842380 (E_RNA)
where:
Base-Base interactions energy: -368.688
where: short stacking energy: -163.264
Base-Backbone interact. energy: -0.154
local terms energy: -160.000802
where:
bonds (distance) C4'-P energy: -26.113
bonds (distance) P-C4' energy: -31.639
flat angles C4'-P-C4' energy: -31.822
flat angles P-C4'-P energy: -26.367
tors. eta vs tors. theta energy: -44.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -511.172290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.172290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.172290 (E_RNA)
where:
Base-Base interactions energy: -373.929
where: short stacking energy: -151.730
Base-Backbone interact. energy: -0.473
local terms energy: -136.770214
where:
bonds (distance) C4'-P energy: -26.337
bonds (distance) P-C4' energy: -22.276
flat angles C4'-P-C4' energy: -31.474
flat angles P-C4'-P energy: -21.023
tors. eta vs tors. theta energy: -35.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -475.228921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.228921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.228921 (E_RNA)
where:
Base-Base interactions energy: -330.298
where: short stacking energy: -142.658
Base-Backbone interact. energy: -0.407
local terms energy: -144.524623
where:
bonds (distance) C4'-P energy: -28.724
bonds (distance) P-C4' energy: -23.793
flat angles C4'-P-C4' energy: -34.790
flat angles P-C4'-P energy: -19.719
tors. eta vs tors. theta energy: -37.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -391.939699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.939699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.939699 (E_RNA)
where:
Base-Base interactions energy: -273.566
where: short stacking energy: -125.149
Base-Backbone interact. energy: -0.223
local terms energy: -118.151050
where:
bonds (distance) C4'-P energy: -26.012
bonds (distance) P-C4' energy: -27.724
flat angles C4'-P-C4' energy: -28.003
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -22.605
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: 9, replica: 10
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -380.975887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.975887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.975887 (E_RNA)
where:
Base-Base interactions energy: -267.063
where: short stacking energy: -113.718
Base-Backbone interact. energy: -1.057
local terms energy: -112.856474
where:
bonds (distance) C4'-P energy: -28.661
bonds (distance) P-C4' energy: -25.226
flat angles C4'-P-C4' energy: -18.049
flat angles P-C4'-P energy: -20.751
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: 10, replica: 9
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -263.842193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.842193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.842193 (E_RNA)
where:
Base-Base interactions energy: -149.642
where: short stacking energy: -78.057
Base-Backbone interact. energy: 0.391
local terms energy: -114.590970
where:
bonds (distance) C4'-P energy: -26.939
bonds (distance) P-C4' energy: -35.429
flat angles C4'-P-C4' energy: -26.563
flat angles P-C4'-P energy: -13.968
tors. eta vs tors. theta energy: -11.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -578.150984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.150984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.150984 (E_RNA)
where:
Base-Base interactions energy: -401.363
where: short stacking energy: -173.537
Base-Backbone interact. energy: -0.386
local terms energy: -176.401695
where:
bonds (distance) C4'-P energy: -33.684
bonds (distance) P-C4' energy: -32.293
flat angles C4'-P-C4' energy: -35.313
flat angles P-C4'-P energy: -25.583
tors. eta vs tors. theta energy: -49.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -571.514121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.514121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.514121 (E_RNA)
where:
Base-Base interactions energy: -395.741
where: short stacking energy: -174.252
Base-Backbone interact. energy: -1.404
local terms energy: -174.368872
where:
bonds (distance) C4'-P energy: -31.514
bonds (distance) P-C4' energy: -36.682
flat angles C4'-P-C4' energy: -32.972
flat angles P-C4'-P energy: -23.856
tors. eta vs tors. theta energy: -49.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -550.252658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.252658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.252658 (E_RNA)
where:
Base-Base interactions energy: -386.144
where: short stacking energy: -179.452
Base-Backbone interact. energy: -0.173
local terms energy: -163.935136
where:
bonds (distance) C4'-P energy: -28.484
bonds (distance) P-C4' energy: -31.334
flat angles C4'-P-C4' energy: -33.207
flat angles P-C4'-P energy: -26.764
tors. eta vs tors. theta energy: -44.147
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: 7
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -552.855563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.855563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.855563 (E_RNA)
where:
Base-Base interactions energy: -395.093
where: short stacking energy: -166.807
Base-Backbone interact. energy: -0.818
local terms energy: -156.944423
where:
bonds (distance) C4'-P energy: -32.379
bonds (distance) P-C4' energy: -28.792
flat angles C4'-P-C4' energy: -33.277
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -48.849
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: 6
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -530.457254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.457254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.457254 (E_RNA)
where:
Base-Base interactions energy: -366.019
where: short stacking energy: -160.536
Base-Backbone interact. energy: -0.689
local terms energy: -163.748922
where:
bonds (distance) C4'-P energy: -31.998
bonds (distance) P-C4' energy: -29.302
flat angles C4'-P-C4' energy: -34.152
flat angles P-C4'-P energy: -26.587
tors. eta vs tors. theta energy: -41.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -511.862087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.862087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.862087 (E_RNA)
where:
Base-Base interactions energy: -363.570
where: short stacking energy: -152.663
Base-Backbone interact. energy: -1.124
local terms energy: -147.168492
where:
bonds (distance) C4'-P energy: -26.673
bonds (distance) P-C4' energy: -27.444
flat angles C4'-P-C4' energy: -33.469
flat angles P-C4'-P energy: -20.216
tors. eta vs tors. theta energy: -39.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -470.313267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.313267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.313267 (E_RNA)
where:
Base-Base interactions energy: -325.861
where: short stacking energy: -145.128
Base-Backbone interact. energy: 0.192
local terms energy: -144.644058
where:
bonds (distance) C4'-P energy: -31.074
bonds (distance) P-C4' energy: -23.133
flat angles C4'-P-C4' energy: -32.187
flat angles P-C4'-P energy: -18.592
tors. eta vs tors. theta energy: -39.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -385.671073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.671073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.671073 (E_RNA)
where:
Base-Base interactions energy: -267.888
where: short stacking energy: -107.893
Base-Backbone interact. energy: -1.725
local terms energy: -116.058280
where:
bonds (distance) C4'-P energy: -21.193
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -32.075
flat angles P-C4'-P energy: -20.293
tors. eta vs tors. theta energy: -23.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -373.316419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.316419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.316419 (E_RNA)
where:
Base-Base interactions energy: -239.203
where: short stacking energy: -104.590
Base-Backbone interact. energy: -0.751
local terms energy: -133.361686
where:
bonds (distance) C4'-P energy: -29.396
bonds (distance) P-C4' energy: -24.751
flat angles C4'-P-C4' energy: -34.185
flat angles P-C4'-P energy: -21.891
tors. eta vs tors. theta energy: -23.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -241.813226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.813226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.813226 (E_RNA)
where:
Base-Base interactions energy: -140.818
where: short stacking energy: -70.868
Base-Backbone interact. energy: 5.569
local terms energy: -106.564917
where:
bonds (distance) C4'-P energy: -24.587
bonds (distance) P-C4' energy: -25.921
flat angles C4'-P-C4' energy: -22.085
flat angles P-C4'-P energy: -20.384
tors. eta vs tors. theta energy: -13.587
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: 2
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -581.744082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.744082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.744082 (E_RNA)
where:
Base-Base interactions energy: -410.198
where: short stacking energy: -186.014
Base-Backbone interact. energy: -0.072
local terms energy: -171.473399
where:
bonds (distance) C4'-P energy: -31.185
bonds (distance) P-C4' energy: -28.201
flat angles C4'-P-C4' energy: -37.058
flat angles P-C4'-P energy: -25.270
tors. eta vs tors. theta energy: -49.760
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: 5
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -557.612285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.612285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.612285 (E_RNA)
where:
Base-Base interactions energy: -377.506
where: short stacking energy: -171.212
Base-Backbone interact. energy: 0.624
local terms energy: -180.729915
where:
bonds (distance) C4'-P energy: -32.441
bonds (distance) P-C4' energy: -36.378
flat angles C4'-P-C4' energy: -38.018
flat angles P-C4'-P energy: -26.181
tors. eta vs tors. theta energy: -47.711
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: 8
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -557.528803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.528803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.528803 (E_RNA)
where:
Base-Base interactions energy: -393.931
where: short stacking energy: -172.847
Base-Backbone interact. energy: -0.482
local terms energy: -163.115408
where:
bonds (distance) C4'-P energy: -30.313
bonds (distance) P-C4' energy: -32.010
flat angles C4'-P-C4' energy: -26.605
flat angles P-C4'-P energy: -24.401
tors. eta vs tors. theta energy: -49.786
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: 4, replica: 6
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -524.390277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.390277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.390277 (E_RNA)
where:
Base-Base interactions energy: -363.107
where: short stacking energy: -160.796
Base-Backbone interact. energy: -0.511
local terms energy: -160.772274
where:
bonds (distance) C4'-P energy: -32.731
bonds (distance) P-C4' energy: -26.979
flat angles C4'-P-C4' energy: -34.885
flat angles P-C4'-P energy: -24.571
tors. eta vs tors. theta energy: -41.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -535.329478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.329478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.329478 (E_RNA)
where:
Base-Base interactions energy: -370.703
where: short stacking energy: -140.204
Base-Backbone interact. energy: -0.640
local terms energy: -163.986066
where:
bonds (distance) C4'-P energy: -29.712
bonds (distance) P-C4' energy: -36.872
flat angles C4'-P-C4' energy: -35.077
flat angles P-C4'-P energy: -20.142
tors. eta vs tors. theta energy: -42.183
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: 1
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -542.097691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.097691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.097691 (E_RNA)
where:
Base-Base interactions energy: -398.245
where: short stacking energy: -157.416
Base-Backbone interact. energy: -1.292
local terms energy: -142.560852
where:
bonds (distance) C4'-P energy: -21.238
bonds (distance) P-C4' energy: -30.749
flat angles C4'-P-C4' energy: -30.743
flat angles P-C4'-P energy: -17.451
tors. eta vs tors. theta energy: -42.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -450.509887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.509887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.509887 (E_RNA)
where:
Base-Base interactions energy: -315.096
where: short stacking energy: -139.702
Base-Backbone interact. energy: -0.505
local terms energy: -134.909199
where:
bonds (distance) C4'-P energy: -25.620
bonds (distance) P-C4' energy: -33.414
flat angles C4'-P-C4' energy: -25.918
flat angles P-C4'-P energy: -17.323
tors. eta vs tors. theta energy: -32.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -450.461029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.461029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.461029 (E_RNA)
where:
Base-Base interactions energy: -313.474
where: short stacking energy: -135.689
Base-Backbone interact. energy: -0.382
local terms energy: -136.604662
where:
bonds (distance) C4'-P energy: -21.589
bonds (distance) P-C4' energy: -28.637
flat angles C4'-P-C4' energy: -31.521
flat angles P-C4'-P energy: -18.937
tors. eta vs tors. theta energy: -35.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -300.290571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.290571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.290571 (E_RNA)
where:
Base-Base interactions energy: -182.006
where: short stacking energy: -101.880
Base-Backbone interact. energy: -0.135
local terms energy: -118.148828
where:
bonds (distance) C4'-P energy: -29.330
bonds (distance) P-C4' energy: -29.267
flat angles C4'-P-C4' energy: -30.168
flat angles P-C4'-P energy: -15.846
tors. eta vs tors. theta energy: -13.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -255.252208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.252208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.252208 (E_RNA)
where:
Base-Base interactions energy: -151.275
where: short stacking energy: -82.787
Base-Backbone interact. energy: -0.348
local terms energy: -103.628982
where:
bonds (distance) C4'-P energy: -26.247
bonds (distance) P-C4' energy: -22.408
flat angles C4'-P-C4' energy: -30.221
flat angles P-C4'-P energy: -14.768
tors. eta vs tors. theta energy: -9.985
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: 1, replica: 2
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -588.221122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.221122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.221122 (E_RNA)
where:
Base-Base interactions energy: -416.762
where: short stacking energy: -184.862
Base-Backbone interact. energy: -0.090
local terms energy: -171.369676
where:
bonds (distance) C4'-P energy: -32.625
bonds (distance) P-C4' energy: -36.311
flat angles C4'-P-C4' energy: -30.963
flat angles P-C4'-P energy: -19.681
tors. eta vs tors. theta energy: -51.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -558.736656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.736656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.736656 (E_RNA)
where:
Base-Base interactions energy: -397.917
where: short stacking energy: -173.574
Base-Backbone interact. energy: -0.183
local terms energy: -160.636876
where:
bonds (distance) C4'-P energy: -25.719
bonds (distance) P-C4' energy: -32.325
flat angles C4'-P-C4' energy: -28.054
flat angles P-C4'-P energy: -25.101
tors. eta vs tors. theta energy: -49.438
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: 3, replica: 6
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -540.059681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.059681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.059681 (E_RNA)
where:
Base-Base interactions energy: -365.812
where: short stacking energy: -161.631
Base-Backbone interact. energy: -0.812
local terms energy: -173.435886
where:
bonds (distance) C4'-P energy: -31.941
bonds (distance) P-C4' energy: -29.292
flat angles C4'-P-C4' energy: -36.345
flat angles P-C4'-P energy: -29.787
tors. eta vs tors. theta energy: -46.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -552.289344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.289344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.289344 (E_RNA)
where:
Base-Base interactions energy: -398.246
where: short stacking energy: -166.269
Base-Backbone interact. energy: -1.213
local terms energy: -152.830143
where:
bonds (distance) C4'-P energy: -25.296
bonds (distance) P-C4' energy: -27.364
flat angles C4'-P-C4' energy: -27.512
flat angles P-C4'-P energy: -24.208
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: 5, replica: 1
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -542.548294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.548294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.548294 (E_RNA)
where:
Base-Base interactions energy: -379.021
where: short stacking energy: -153.163
Base-Backbone interact. energy: -2.202
local terms energy: -161.325514
where:
bonds (distance) C4'-P energy: -33.441
bonds (distance) P-C4' energy: -28.311
flat angles C4'-P-C4' energy: -34.870
flat angles P-C4'-P energy: -23.175
tors. eta vs tors. theta energy: -41.529
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: 6, replica: 7
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -525.310684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.310684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.310684 (E_RNA)
where:
Base-Base interactions energy: -373.087
where: short stacking energy: -159.795
Base-Backbone interact. energy: -0.748
local terms energy: -151.476233
where:
bonds (distance) C4'-P energy: -28.075
bonds (distance) P-C4' energy: -28.010
flat angles C4'-P-C4' energy: -34.209
flat angles P-C4'-P energy: -21.977
tors. eta vs tors. theta energy: -39.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -466.228298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.228298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.228298 (E_RNA)
where:
Base-Base interactions energy: -334.253
where: short stacking energy: -152.919
Base-Backbone interact. energy: -0.604
local terms energy: -131.371234
where:
bonds (distance) C4'-P energy: -23.672
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -34.471
flat angles P-C4'-P energy: -13.725
tors. eta vs tors. theta energy: -40.036
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: 3
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -465.495364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.495364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.495364 (E_RNA)
where:
Base-Base interactions energy: -328.998
where: short stacking energy: -132.167
Base-Backbone interact. energy: 0.786
local terms energy: -137.282730
where:
bonds (distance) C4'-P energy: -28.263
bonds (distance) P-C4' energy: -29.824
flat angles C4'-P-C4' energy: -30.753
flat angles P-C4'-P energy: -17.995
tors. eta vs tors. theta energy: -30.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -308.119873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.119873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.119873 (E_RNA)
where:
Base-Base interactions energy: -196.974
where: short stacking energy: -91.588
Base-Backbone interact. energy: 0.924
local terms energy: -112.070125
where:
bonds (distance) C4'-P energy: -27.738
bonds (distance) P-C4' energy: -29.802
flat angles C4'-P-C4' energy: -21.764
flat angles P-C4'-P energy: -21.995
tors. eta vs tors. theta energy: -10.771
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: 9
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -231.848562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.848562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.848562 (E_RNA)
where:
Base-Base interactions energy: -120.444
where: short stacking energy: -65.928
Base-Backbone interact. energy: -0.233
local terms energy: -111.170957
where:
bonds (distance) C4'-P energy: -29.942
bonds (distance) P-C4' energy: -25.748
flat angles C4'-P-C4' energy: -30.651
flat angles P-C4'-P energy: -18.375
tors. eta vs tors. theta energy: -6.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -602.081093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.081093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.081093 (E_RNA)
where:
Base-Base interactions energy: -418.672
where: short stacking energy: -183.922
Base-Backbone interact. energy: -0.619
local terms energy: -182.790646
where:
bonds (distance) C4'-P energy: -31.912
bonds (distance) P-C4' energy: -34.895
flat angles C4'-P-C4' energy: -35.959
flat angles P-C4'-P energy: -28.277
tors. eta vs tors. theta energy: -51.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -570.765878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.765878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.765878 (E_RNA)
where:
Base-Base interactions energy: -394.527
where: short stacking energy: -176.486
Base-Backbone interact. energy: -0.730
local terms energy: -175.509190
where:
bonds (distance) C4'-P energy: -32.502
bonds (distance) P-C4' energy: -28.103
flat angles C4'-P-C4' energy: -39.795
flat angles P-C4'-P energy: -24.488
tors. eta vs tors. theta energy: -50.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -537.047239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.047239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.047239 (E_RNA)
where:
Base-Base interactions energy: -370.229
where: short stacking energy: -169.185
Base-Backbone interact. energy: -0.515
local terms energy: -166.303114
where:
bonds (distance) C4'-P energy: -34.896
bonds (distance) P-C4' energy: -22.795
flat angles C4'-P-C4' energy: -37.855
flat angles P-C4'-P energy: -21.022
tors. eta vs tors. theta energy: -49.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -556.344786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.344786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.344786 (E_RNA)
where:
Base-Base interactions energy: -402.131
where: short stacking energy: -156.161
Base-Backbone interact. energy: -1.268
local terms energy: -152.945459
where:
bonds (distance) C4'-P energy: -28.161
bonds (distance) P-C4' energy: -30.921
flat angles C4'-P-C4' energy: -35.441
flat angles P-C4'-P energy: -20.369
tors. eta vs tors. theta energy: -38.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -534.744841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.744841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.744841 (E_RNA)
where:
Base-Base interactions energy: -373.538
where: short stacking energy: -154.255
Base-Backbone interact. energy: -1.924
local terms energy: -159.283420
where:
bonds (distance) C4'-P energy: -25.124
bonds (distance) P-C4' energy: -31.430
flat angles C4'-P-C4' energy: -31.940
flat angles P-C4'-P energy: -24.249
tors. eta vs tors. theta energy: -46.540
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: 6, replica: 7
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -516.404501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.404501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.404501 (E_RNA)
where:
Base-Base interactions energy: -352.541
where: short stacking energy: -143.134
Base-Backbone interact. energy: -0.805
local terms energy: -163.057786
where:
bonds (distance) C4'-P energy: -33.993
bonds (distance) P-C4' energy: -24.213
flat angles C4'-P-C4' energy: -37.707
flat angles P-C4'-P energy: -25.748
tors. eta vs tors. theta energy: -41.397
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: 4
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -429.764166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.764166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.764166 (E_RNA)
where:
Base-Base interactions energy: -311.869
where: short stacking energy: -133.519
Base-Backbone interact. energy: -0.342
local terms energy: -117.553260
where:
bonds (distance) C4'-P energy: -25.163
bonds (distance) P-C4' energy: -18.914
flat angles C4'-P-C4' energy: -24.609
flat angles P-C4'-P energy: -19.495
tors. eta vs tors. theta energy: -29.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -436.842296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.842296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.842296 (E_RNA)
where:
Base-Base interactions energy: -304.478
where: short stacking energy: -138.674
Base-Backbone interact. energy: -0.578
local terms energy: -131.785797
where:
bonds (distance) C4'-P energy: -30.102
bonds (distance) P-C4' energy: -29.493
flat angles C4'-P-C4' energy: -27.865
flat angles P-C4'-P energy: -15.227
tors. eta vs tors. theta energy: -29.099
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: 10
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -325.314612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.314612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.314612 (E_RNA)
where:
Base-Base interactions energy: -203.884
where: short stacking energy: -86.965
Base-Backbone interact. energy: -0.356
local terms energy: -121.074512
where:
bonds (distance) C4'-P energy: -28.255
bonds (distance) P-C4' energy: -27.175
flat angles C4'-P-C4' energy: -26.606
flat angles P-C4'-P energy: -16.411
tors. eta vs tors. theta energy: -22.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -232.076895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.076895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.076895 (E_RNA)
where:
Base-Base interactions energy: -126.606
where: short stacking energy: -58.954
Base-Backbone interact. energy: -0.633
local terms energy: -104.837919
where:
bonds (distance) C4'-P energy: -30.060
bonds (distance) P-C4' energy: -26.123
flat angles C4'-P-C4' energy: -26.009
flat angles P-C4'-P energy: -21.859
tors. eta vs tors. theta energy: -0.787
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: 2
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -591.404063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.404063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.404063 (E_RNA)
where:
Base-Base interactions energy: -411.343
where: short stacking energy: -178.152
Base-Backbone interact. energy: -0.209
local terms energy: -179.852701
where:
bonds (distance) C4'-P energy: -35.666
bonds (distance) P-C4' energy: -30.900
flat angles C4'-P-C4' energy: -33.485
flat angles P-C4'-P energy: -27.962
tors. eta vs tors. theta energy: -51.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -552.348099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.348099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.348099 (E_RNA)
where:
Base-Base interactions energy: -374.373
where: short stacking energy: -167.057
Base-Backbone interact. energy: -1.001
local terms energy: -176.973695
where:
bonds (distance) C4'-P energy: -34.441
bonds (distance) P-C4' energy: -34.352
flat angles C4'-P-C4' energy: -33.515
flat angles P-C4'-P energy: -26.086
tors. eta vs tors. theta energy: -48.579
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: 148
Temperature: 1.000000
Total energy: -563.438177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.438177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.438177 (E_RNA)
where:
Base-Base interactions energy: -401.730
where: short stacking energy: -159.502
Base-Backbone interact. energy: -1.388
local terms energy: -160.319793
where:
bonds (distance) C4'-P energy: -26.558
bonds (distance) P-C4' energy: -33.389
flat angles C4'-P-C4' energy: -35.482
flat angles P-C4'-P energy: -23.861
tors. eta vs tors. theta energy: -41.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -527.575014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.575014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.575014 (E_RNA)
where:
Base-Base interactions energy: -376.081
where: short stacking energy: -172.824
Base-Backbone interact. energy: -1.740
local terms energy: -149.754647
where:
bonds (distance) C4'-P energy: -22.111
bonds (distance) P-C4' energy: -31.177
flat angles C4'-P-C4' energy: -31.525
flat angles P-C4'-P energy: -23.014
tors. eta vs tors. theta energy: -41.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -532.952098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.952098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.952098 (E_RNA)
where:
Base-Base interactions energy: -377.210
where: short stacking energy: -157.338
Base-Backbone interact. energy: 0.800
local terms energy: -156.541729
where:
bonds (distance) C4'-P energy: -27.966
bonds (distance) P-C4' energy: -29.543
flat angles C4'-P-C4' energy: -27.614
flat angles P-C4'-P energy: -27.439
tors. eta vs tors. theta energy: -43.979
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: 7
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -530.722508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.722508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.722508 (E_RNA)
where:
Base-Base interactions energy: -379.010
where: short stacking energy: -153.971
Base-Backbone interact. energy: -3.450
local terms energy: -148.263378
where:
bonds (distance) C4'-P energy: -22.544
bonds (distance) P-C4' energy: -30.148
flat angles C4'-P-C4' energy: -28.713
flat angles P-C4'-P energy: -28.021
tors. eta vs tors. theta energy: -38.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -480.589112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.589112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.589112 (E_RNA)
where:
Base-Base interactions energy: -345.639
where: short stacking energy: -153.989
Base-Backbone interact. energy: -1.117
local terms energy: -133.832936
where:
bonds (distance) C4'-P energy: -25.227
bonds (distance) P-C4' energy: -27.329
flat angles C4'-P-C4' energy: -26.438
flat angles P-C4'-P energy: -15.129
tors. eta vs tors. theta energy: -39.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -415.866837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.866837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.866837 (E_RNA)
where:
Base-Base interactions energy: -281.060
where: short stacking energy: -115.814
Base-Backbone interact. energy: 0.156
local terms energy: -134.962431
where:
bonds (distance) C4'-P energy: -27.303
bonds (distance) P-C4' energy: -28.944
flat angles C4'-P-C4' energy: -27.782
flat angles P-C4'-P energy: -22.069
tors. eta vs tors. theta energy: -28.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -277.253864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.253864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.253864 (E_RNA)
where:
Base-Base interactions energy: -162.941
where: short stacking energy: -89.370
Base-Backbone interact. energy: 0.285
local terms energy: -114.598027
where:
bonds (distance) C4'-P energy: -26.401
bonds (distance) P-C4' energy: -29.362
flat angles C4'-P-C4' energy: -27.711
flat angles P-C4'-P energy: -19.422
tors. eta vs tors. theta energy: -11.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -393.170635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.170635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.170635 (E_RNA)
where:
Base-Base interactions energy: -263.877
where: short stacking energy: -120.490
Base-Backbone interact. energy: -2.497
local terms energy: -126.797243
where:
bonds (distance) C4'-P energy: -22.002
bonds (distance) P-C4' energy: -24.313
flat angles C4'-P-C4' energy: -32.156
flat angles P-C4'-P energy: -19.354
tors. eta vs tors. theta energy: -28.973
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: 2
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -593.339371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.339371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.339371 (E_RNA)
where:
Base-Base interactions energy: -421.126
where: short stacking energy: -184.618
Base-Backbone interact. energy: -1.101
local terms energy: -171.112065
where:
bonds (distance) C4'-P energy: -26.872
bonds (distance) P-C4' energy: -36.692
flat angles C4'-P-C4' energy: -35.017
flat angles P-C4'-P energy: -20.793
tors. eta vs tors. theta energy: -51.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -574.648626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.648626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.648626 (E_RNA)
where:
Base-Base interactions energy: -413.527
where: short stacking energy: -162.848
Base-Backbone interact. energy: -2.144
local terms energy: -158.978266
where:
bonds (distance) C4'-P energy: -26.801
bonds (distance) P-C4' energy: -34.588
flat angles C4'-P-C4' energy: -33.432
flat angles P-C4'-P energy: -23.107
tors. eta vs tors. theta energy: -41.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -547.640149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.640149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.640149 (E_RNA)
where:
Base-Base interactions energy: -381.654
where: short stacking energy: -167.384
Base-Backbone interact. energy: -1.069
local terms energy: -164.917575
where:
bonds (distance) C4'-P energy: -29.530
bonds (distance) P-C4' energy: -33.150
flat angles C4'-P-C4' energy: -36.255
flat angles P-C4'-P energy: -18.599
tors. eta vs tors. theta energy: -47.385
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: 8
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -540.774706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.774706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.774706 (E_RNA)
where:
Base-Base interactions energy: -378.427
where: short stacking energy: -162.261
Base-Backbone interact. energy: -0.283
local terms energy: -162.064841
where:
bonds (distance) C4'-P energy: -29.696
bonds (distance) P-C4' energy: -32.108
flat angles C4'-P-C4' energy: -31.688
flat angles P-C4'-P energy: -25.794
tors. eta vs tors. theta energy: -42.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -532.695463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.695463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.695463 (E_RNA)
where:
Base-Base interactions energy: -362.732
where: short stacking energy: -171.107
Base-Backbone interact. energy: -0.275
local terms energy: -169.688966
where:
bonds (distance) C4'-P energy: -30.379
bonds (distance) P-C4' energy: -23.624
flat angles C4'-P-C4' energy: -35.572
flat angles P-C4'-P energy: -28.071
tors. eta vs tors. theta energy: -52.043
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: 7
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -532.683457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.683457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.683457 (E_RNA)
where:
Base-Base interactions energy: -379.070
where: short stacking energy: -152.554
Base-Backbone interact. energy: -3.284
local terms energy: -150.329384
where:
bonds (distance) C4'-P energy: -23.752
bonds (distance) P-C4' energy: -31.188
flat angles C4'-P-C4' energy: -29.603
flat angles P-C4'-P energy: -27.745
tors. eta vs tors. theta energy: -38.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -462.623996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.623996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.623996 (E_RNA)
where:
Base-Base interactions energy: -327.389
where: short stacking energy: -144.739
Base-Backbone interact. energy: -0.145
local terms energy: -135.090687
where:
bonds (distance) C4'-P energy: -20.668
bonds (distance) P-C4' energy: -24.368
flat angles C4'-P-C4' energy: -31.273
flat angles P-C4'-P energy: -21.200
tors. eta vs tors. theta energy: -37.581
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: 3
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -434.764805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.764805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.764805 (E_RNA)
where:
Base-Base interactions energy: -310.011
where: short stacking energy: -132.314
Base-Backbone interact. energy: -0.544
local terms energy: -124.209707
where:
bonds (distance) C4'-P energy: -22.157
bonds (distance) P-C4' energy: -28.558
flat angles C4'-P-C4' energy: -24.651
flat angles P-C4'-P energy: -22.794
tors. eta vs tors. theta energy: -26.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -282.971167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.971167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.971167 (E_RNA)
where:
Base-Base interactions energy: -175.403
where: short stacking energy: -85.216
Base-Backbone interact. energy: 1.151
local terms energy: -108.719256
where:
bonds (distance) C4'-P energy: -22.240
bonds (distance) P-C4' energy: -25.357
flat angles C4'-P-C4' energy: -31.216
flat angles P-C4'-P energy: -19.250
tors. eta vs tors. theta energy: -10.656
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: 10
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -400.608023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.608023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.608023 (E_RNA)
where:
Base-Base interactions energy: -273.817
where: short stacking energy: -127.095
Base-Backbone interact. energy: 0.056
local terms energy: -126.847299
where:
bonds (distance) C4'-P energy: -26.766
bonds (distance) P-C4' energy: -25.199
flat angles C4'-P-C4' energy: -26.070
flat angles P-C4'-P energy: -21.547
tors. eta vs tors. theta energy: -27.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -595.825204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.825204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.825204 (E_RNA)
where:
Base-Base interactions energy: -416.830
where: short stacking energy: -176.694
Base-Backbone interact. energy: -0.215
local terms energy: -178.780172
where:
bonds (distance) C4'-P energy: -26.240
bonds (distance) P-C4' energy: -38.360
flat angles C4'-P-C4' energy: -34.954
flat angles P-C4'-P energy: -27.514
tors. eta vs tors. theta energy: -51.712
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: 1
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -580.927787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.927787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.927787 (E_RNA)
where:
Base-Base interactions energy: -419.157
where: short stacking energy: -167.405
Base-Backbone interact. energy: -0.701
local terms energy: -161.070313
where:
bonds (distance) C4'-P energy: -32.028
bonds (distance) P-C4' energy: -27.845
flat angles C4'-P-C4' energy: -32.979
flat angles P-C4'-P energy: -22.335
tors. eta vs tors. theta energy: -45.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -559.203227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.203227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.203227 (E_RNA)
where:
Base-Base interactions energy: -389.258
where: short stacking energy: -172.037
Base-Backbone interact. energy: -0.703
local terms energy: -169.242133
where:
bonds (distance) C4'-P energy: -34.320
bonds (distance) P-C4' energy: -30.386
flat angles C4'-P-C4' energy: -32.723
flat angles P-C4'-P energy: -22.091
tors. eta vs tors. theta energy: -49.722
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: 4, replica: 8
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -537.411544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.411544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.411544 (E_RNA)
where:
Base-Base interactions energy: -377.490
where: short stacking energy: -162.660
Base-Backbone interact. energy: -0.006
local terms energy: -159.915262
where:
bonds (distance) C4'-P energy: -28.919
bonds (distance) P-C4' energy: -30.268
flat angles C4'-P-C4' energy: -30.716
flat angles P-C4'-P energy: -22.948
tors. eta vs tors. theta energy: -47.064
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: 5, replica: 7
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -531.726738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.726738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.726738 (E_RNA)
where:
Base-Base interactions energy: -388.063
where: short stacking energy: -143.178
Base-Backbone interact. energy: -1.242
local terms energy: -142.421234
where:
bonds (distance) C4'-P energy: -33.239
bonds (distance) P-C4' energy: -27.195
flat angles C4'-P-C4' energy: -26.931
flat angles P-C4'-P energy: -20.242
tors. eta vs tors. theta energy: -34.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -526.916652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.916652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.916652 (E_RNA)
where:
Base-Base interactions energy: -377.394
where: short stacking energy: -172.047
Base-Backbone interact. energy: -0.795
local terms energy: -148.727746
where:
bonds (distance) C4'-P energy: -20.571
bonds (distance) P-C4' energy: -19.818
flat angles C4'-P-C4' energy: -34.637
flat angles P-C4'-P energy: -24.157
tors. eta vs tors. theta energy: -49.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -455.468101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.468101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.468101 (E_RNA)
where:
Base-Base interactions energy: -305.400
where: short stacking energy: -140.819
Base-Backbone interact. energy: -0.088
local terms energy: -149.979791
where:
bonds (distance) C4'-P energy: -36.130
bonds (distance) P-C4' energy: -28.789
flat angles C4'-P-C4' energy: -35.821
flat angles P-C4'-P energy: -18.400
tors. eta vs tors. theta energy: -30.840
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: 4
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -414.616311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.616311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.616311 (E_RNA)
where:
Base-Base interactions energy: -303.829
where: short stacking energy: -126.253
Base-Backbone interact. energy: 0.713
local terms energy: -111.500591
where:
bonds (distance) C4'-P energy: -22.162
bonds (distance) P-C4' energy: -23.094
flat angles C4'-P-C4' energy: -27.139
flat angles P-C4'-P energy: -16.995
tors. eta vs tors. theta energy: -22.110
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: 10
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -383.352564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.352564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.352564 (E_RNA)
where:
Base-Base interactions energy: -251.830
where: short stacking energy: -117.413
Base-Backbone interact. energy: -0.373
local terms energy: -131.149689
where:
bonds (distance) C4'-P energy: -25.872
bonds (distance) P-C4' energy: -27.116
flat angles C4'-P-C4' energy: -35.605
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -30.354
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: 10, replica: 9
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -289.245928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.245928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.245928 (E_RNA)
where:
Base-Base interactions energy: -179.619
where: short stacking energy: -94.980
Base-Backbone interact. energy: -0.142
local terms energy: -109.485159
where:
bonds (distance) C4'-P energy: -28.740
bonds (distance) P-C4' energy: -24.600
flat angles C4'-P-C4' energy: -24.944
flat angles P-C4'-P energy: -15.050
tors. eta vs tors. theta energy: -16.151
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: 1, replica: 2
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -587.410250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.410250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.410250 (E_RNA)
where:
Base-Base interactions energy: -412.258
where: short stacking energy: -181.926
Base-Backbone interact. energy: -0.684
local terms energy: -174.467909
where:
bonds (distance) C4'-P energy: -28.501
bonds (distance) P-C4' energy: -32.498
flat angles C4'-P-C4' energy: -35.360
flat angles P-C4'-P energy: -25.367
tors. eta vs tors. theta energy: -52.743
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: 1
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -573.088956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.088956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.088956 (E_RNA)
where:
Base-Base interactions energy: -406.806
where: short stacking energy: -159.170
Base-Backbone interact. energy: -2.415
local terms energy: -163.867708
where:
bonds (distance) C4'-P energy: -32.138
bonds (distance) P-C4' energy: -29.989
flat angles C4'-P-C4' energy: -36.450
flat angles P-C4'-P energy: -24.510
tors. eta vs tors. theta energy: -40.781
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: 151
Temperature: 1.000000
Total energy: -542.267615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.267615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.267615 (E_RNA)
where:
Base-Base interactions energy: -388.903
where: short stacking energy: -168.577
Base-Backbone interact. energy: -0.154
local terms energy: -153.210654
where:
bonds (distance) C4'-P energy: -24.828
bonds (distance) P-C4' energy: -30.722
flat angles C4'-P-C4' energy: -33.553
flat angles P-C4'-P energy: -17.223
tors. eta vs tors. theta energy: -46.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -541.482549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.482549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.482549 (E_RNA)
where:
Base-Base interactions energy: -381.664
where: short stacking energy: -168.390
Base-Backbone interact. energy: -0.352
local terms energy: -159.467032
where:
bonds (distance) C4'-P energy: -27.101
bonds (distance) P-C4' energy: -31.438
flat angles C4'-P-C4' energy: -35.040
flat angles P-C4'-P energy: -18.945
tors. eta vs tors. theta energy: -46.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -541.860504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.860504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.860504 (E_RNA)
where:
Base-Base interactions energy: -376.223
where: short stacking energy: -156.718
Base-Backbone interact. energy: -0.083
local terms energy: -165.554660
where:
bonds (distance) C4'-P energy: -33.489
bonds (distance) P-C4' energy: -31.682
flat angles C4'-P-C4' energy: -27.474
flat angles P-C4'-P energy: -23.410
tors. eta vs tors. theta energy: -49.500
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: 151
Temperature: 1.150000
Total energy: -517.300625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.300625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.300625 (E_RNA)
where:
Base-Base interactions energy: -352.447
where: short stacking energy: -167.607
Base-Backbone interact. energy: -1.418
local terms energy: -163.436574
where:
bonds (distance) C4'-P energy: -29.930
bonds (distance) P-C4' energy: -33.786
flat angles C4'-P-C4' energy: -33.261
flat angles P-C4'-P energy: -22.707
tors. eta vs tors. theta energy: -43.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -451.441302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.441302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.441302 (E_RNA)
where:
Base-Base interactions energy: -295.272
where: short stacking energy: -135.890
Base-Backbone interact. energy: -0.163
local terms energy: -156.005997
where:
bonds (distance) C4'-P energy: -31.225
bonds (distance) P-C4' energy: -29.312
flat angles C4'-P-C4' energy: -34.542
flat angles P-C4'-P energy: -24.448
tors. eta vs tors. theta energy: -36.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -470.421265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.421265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.421265 (E_RNA)
where:
Base-Base interactions energy: -326.591
where: short stacking energy: -156.257
Base-Backbone interact. energy: -0.460
local terms energy: -143.370021
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -27.721
flat angles C4'-P-C4' energy: -33.247
flat angles P-C4'-P energy: -22.841
tors. eta vs tors. theta energy: -42.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -368.289848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.289848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.289848 (E_RNA)
where:
Base-Base interactions energy: -238.724
where: short stacking energy: -110.926
Base-Backbone interact. energy: -0.216
local terms energy: -129.350028
where:
bonds (distance) C4'-P energy: -27.586
bonds (distance) P-C4' energy: -27.679
flat angles C4'-P-C4' energy: -33.063
flat angles P-C4'-P energy: -19.148
tors. eta vs tors. theta energy: -21.874
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: 151
Temperature: 1.350000
Total energy: -277.340785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.340785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.340785 (E_RNA)
where:
Base-Base interactions energy: -157.208
where: short stacking energy: -86.594
Base-Backbone interact. energy: -1.253
local terms energy: -118.880516
where:
bonds (distance) C4'-P energy: -32.154
bonds (distance) P-C4' energy: -32.021
flat angles C4'-P-C4' energy: -21.164
flat angles P-C4'-P energy: -16.394
tors. eta vs tors. theta energy: -17.148
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: 2
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -584.168948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.168948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.168948 (E_RNA)
where:
Base-Base interactions energy: -407.785
where: short stacking energy: -179.813
Base-Backbone interact. energy: -0.881
local terms energy: -175.502806
where:
bonds (distance) C4'-P energy: -34.114
bonds (distance) P-C4' energy: -29.009
flat angles C4'-P-C4' energy: -33.690
flat angles P-C4'-P energy: -25.114
tors. eta vs tors. theta energy: -53.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -575.337874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.337874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.337874 (E_RNA)
where:
Base-Base interactions energy: -409.666
where: short stacking energy: -159.574
Base-Backbone interact. energy: -1.470
local terms energy: -164.201907
where:
bonds (distance) C4'-P energy: -31.572
bonds (distance) P-C4' energy: -31.316
flat angles C4'-P-C4' energy: -35.378
flat angles P-C4'-P energy: -25.359
tors. eta vs tors. theta energy: -40.576
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: 3, replica: 8
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -547.822071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.822071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.822071 (E_RNA)
where:
Base-Base interactions energy: -377.447
where: short stacking energy: -167.826
Base-Backbone interact. energy: 0.562
local terms energy: -170.936619
where:
bonds (distance) C4'-P energy: -33.139
bonds (distance) P-C4' energy: -34.923
flat angles C4'-P-C4' energy: -34.213
flat angles P-C4'-P energy: -23.500
tors. eta vs tors. theta energy: -45.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -526.849965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.849965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.849965 (E_RNA)
where:
Base-Base interactions energy: -358.926
where: short stacking energy: -162.542
Base-Backbone interact. energy: -0.779
local terms energy: -167.144425
where:
bonds (distance) C4'-P energy: -26.984
bonds (distance) P-C4' energy: -36.777
flat angles C4'-P-C4' energy: -33.842
flat angles P-C4'-P energy: -23.370
tors. eta vs tors. theta energy: -46.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -541.688595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.688595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.688595 (E_RNA)
where:
Base-Base interactions energy: -394.425
where: short stacking energy: -174.170
Base-Backbone interact. energy: -0.912
local terms energy: -146.351384
where:
bonds (distance) C4'-P energy: -22.925
bonds (distance) P-C4' energy: -26.597
flat angles C4'-P-C4' energy: -34.027
flat angles P-C4'-P energy: -14.946
tors. eta vs tors. theta energy: -47.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -521.203657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.203657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.203657 (E_RNA)
where:
Base-Base interactions energy: -352.648
where: short stacking energy: -166.439
Base-Backbone interact. energy: -0.435
local terms energy: -168.120871
where:
bonds (distance) C4'-P energy: -30.938
bonds (distance) P-C4' energy: -27.445
flat angles C4'-P-C4' energy: -38.428
flat angles P-C4'-P energy: -21.874
tors. eta vs tors. theta energy: -49.435
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: 4
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -477.886077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.886077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.886077 (E_RNA)
where:
Base-Base interactions energy: -338.642
where: short stacking energy: -156.872
Base-Backbone interact. energy: 1.346
local terms energy: -140.590116
where:
bonds (distance) C4'-P energy: -22.498
bonds (distance) P-C4' energy: -33.291
flat angles C4'-P-C4' energy: -30.082
flat angles P-C4'-P energy: -17.187
tors. eta vs tors. theta energy: -37.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -427.319032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.319032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.319032 (E_RNA)
where:
Base-Base interactions energy: -289.167
where: short stacking energy: -117.863
Base-Backbone interact. energy: -1.237
local terms energy: -136.914145
where:
bonds (distance) C4'-P energy: -28.484
bonds (distance) P-C4' energy: -28.064
flat angles C4'-P-C4' energy: -35.880
flat angles P-C4'-P energy: -15.031
tors. eta vs tors. theta energy: -29.454
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: 10
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -340.361097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.361097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.361097 (E_RNA)
where:
Base-Base interactions energy: -224.208
where: short stacking energy: -103.714
Base-Backbone interact. energy: 0.413
local terms energy: -116.566084
where:
bonds (distance) C4'-P energy: -29.728
bonds (distance) P-C4' energy: -28.943
flat angles C4'-P-C4' energy: -23.441
flat angles P-C4'-P energy: -17.610
tors. eta vs tors. theta energy: -16.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -261.578398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.578398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.578398 (E_RNA)
where:
Base-Base interactions energy: -161.360
where: short stacking energy: -89.051
Base-Backbone interact. energy: 2.034
local terms energy: -102.252459
where:
bonds (distance) C4'-P energy: -28.721
bonds (distance) P-C4' energy: -25.319
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -16.340
tors. eta vs tors. theta energy: -16.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -596.265832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.265832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.265832 (E_RNA)
where:
Base-Base interactions energy: -417.878
where: short stacking energy: -190.967
Base-Backbone interact. energy: -0.695
local terms energy: -177.692550
where:
bonds (distance) C4'-P energy: -37.708
bonds (distance) P-C4' energy: -23.754
flat angles C4'-P-C4' energy: -34.234
flat angles P-C4'-P energy: -27.523
tors. eta vs tors. theta energy: -54.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -560.921718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.921718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.921718 (E_RNA)
where:
Base-Base interactions energy: -394.521
where: short stacking energy: -176.004
Base-Backbone interact. energy: -0.141
local terms energy: -166.260262
where:
bonds (distance) C4'-P energy: -30.505
bonds (distance) P-C4' energy: -35.630
flat angles C4'-P-C4' energy: -34.565
flat angles P-C4'-P energy: -22.755
tors. eta vs tors. theta energy: -42.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -577.286178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.286178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.286178 (E_RNA)
where:
Base-Base interactions energy: -419.429
where: short stacking energy: -171.642
Base-Backbone interact. energy: -0.969
local terms energy: -156.888226
where:
bonds (distance) C4'-P energy: -33.245
bonds (distance) P-C4' energy: -33.814
flat angles C4'-P-C4' energy: -33.085
flat angles P-C4'-P energy: -19.207
tors. eta vs tors. theta energy: -37.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -555.754469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.754469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.754469 (E_RNA)
where:
Base-Base interactions energy: -390.914
where: short stacking energy: -167.042
Base-Backbone interact. energy: -1.815
local terms energy: -163.025653
where:
bonds (distance) C4'-P energy: -32.688
bonds (distance) P-C4' energy: -35.600
flat angles C4'-P-C4' energy: -30.705
flat angles P-C4'-P energy: -20.848
tors. eta vs tors. theta energy: -43.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -533.629620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.629620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.629620 (E_RNA)
where:
Base-Base interactions energy: -366.908
where: short stacking energy: -161.173
Base-Backbone interact. energy: -0.275
local terms energy: -166.447304
where:
bonds (distance) C4'-P energy: -30.703
bonds (distance) P-C4' energy: -33.072
flat angles C4'-P-C4' energy: -32.560
flat angles P-C4'-P energy: -22.216
tors. eta vs tors. theta energy: -47.897
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: 153
Temperature: 1.150000
Total energy: -515.288906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.288906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.288906 (E_RNA)
where:
Base-Base interactions energy: -358.331
where: short stacking energy: -163.807
Base-Backbone interact. energy: -0.286
local terms energy: -156.671870
where:
bonds (distance) C4'-P energy: -28.585
bonds (distance) P-C4' energy: -26.721
flat angles C4'-P-C4' energy: -33.823
flat angles P-C4'-P energy: -18.651
tors. eta vs tors. theta energy: -48.891
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: 4
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -480.202566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.202566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.202566 (E_RNA)
where:
Base-Base interactions energy: -345.326
where: short stacking energy: -150.092
Base-Backbone interact. energy: 1.362
local terms energy: -136.238211
where:
bonds (distance) C4'-P energy: -28.638
bonds (distance) P-C4' energy: -27.692
flat angles C4'-P-C4' energy: -29.151
flat angles P-C4'-P energy: -15.324
tors. eta vs tors. theta energy: -35.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -404.344217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.344217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.344217 (E_RNA)
where:
Base-Base interactions energy: -270.981
where: short stacking energy: -116.248
Base-Backbone interact. energy: 0.363
local terms energy: -133.726605
where:
bonds (distance) C4'-P energy: -32.142
bonds (distance) P-C4' energy: -25.126
flat angles C4'-P-C4' energy: -34.504
flat angles P-C4'-P energy: -18.870
tors. eta vs tors. theta energy: -23.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -332.768879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.768879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.768879 (E_RNA)
where:
Base-Base interactions energy: -216.835
where: short stacking energy: -85.054
Base-Backbone interact. energy: 0.129
local terms energy: -116.063387
where:
bonds (distance) C4'-P energy: -32.126
bonds (distance) P-C4' energy: -26.741
flat angles C4'-P-C4' energy: -26.587
flat angles P-C4'-P energy: -14.749
tors. eta vs tors. theta energy: -15.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -252.169504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.169504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.169504 (E_RNA)
where:
Base-Base interactions energy: -143.800
where: short stacking energy: -81.505
Base-Backbone interact. energy: -0.347
local terms energy: -108.022077
where:
bonds (distance) C4'-P energy: -29.047
bonds (distance) P-C4' energy: -21.701
flat angles C4'-P-C4' energy: -22.104
flat angles P-C4'-P energy: -23.429
tors. eta vs tors. theta energy: -11.740
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: 2
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -599.570113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.570113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.570113 (E_RNA)
where:
Base-Base interactions energy: -419.366
where: short stacking energy: -187.053
Base-Backbone interact. energy: -0.246
local terms energy: -179.958037
where:
bonds (distance) C4'-P energy: -31.387
bonds (distance) P-C4' energy: -30.090
flat angles C4'-P-C4' energy: -39.552
flat angles P-C4'-P energy: -24.614
tors. eta vs tors. theta energy: -54.314
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: 8
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -565.242958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.242958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.242958 (E_RNA)
where:
Base-Base interactions energy: -384.981
where: short stacking energy: -163.364
Base-Backbone interact. energy: 1.133
local terms energy: -181.395297
where:
bonds (distance) C4'-P energy: -31.947
bonds (distance) P-C4' energy: -37.876
flat angles C4'-P-C4' energy: -40.418
flat angles P-C4'-P energy: -25.777
tors. eta vs tors. theta energy: -45.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -569.422497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.422497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.422497 (E_RNA)
where:
Base-Base interactions energy: -406.918
where: short stacking energy: -168.518
Base-Backbone interact. energy: -2.759
local terms energy: -159.745186
where:
bonds (distance) C4'-P energy: -24.964
bonds (distance) P-C4' energy: -30.492
flat angles C4'-P-C4' energy: -37.057
flat angles P-C4'-P energy: -19.447
tors. eta vs tors. theta energy: -47.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -575.517830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.517830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.517830 (E_RNA)
where:
Base-Base interactions energy: -419.328
where: short stacking energy: -160.025
Base-Backbone interact. energy: 0.099
local terms energy: -156.288242
where:
bonds (distance) C4'-P energy: -27.656
bonds (distance) P-C4' energy: -30.619
flat angles C4'-P-C4' energy: -35.440
flat angles P-C4'-P energy: -22.476
tors. eta vs tors. theta energy: -40.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -526.435337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.435337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.435337 (E_RNA)
where:
Base-Base interactions energy: -351.516
where: short stacking energy: -164.300
Base-Backbone interact. energy: -0.547
local terms energy: -174.372388
where:
bonds (distance) C4'-P energy: -31.575
bonds (distance) P-C4' energy: -36.998
flat angles C4'-P-C4' energy: -35.930
flat angles P-C4'-P energy: -26.727
tors. eta vs tors. theta energy: -43.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -503.818749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.818749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.818749 (E_RNA)
where:
Base-Base interactions energy: -353.499
where: short stacking energy: -150.268
Base-Backbone interact. energy: -0.039
local terms energy: -150.280661
where:
bonds (distance) C4'-P energy: -30.002
bonds (distance) P-C4' energy: -28.457
flat angles C4'-P-C4' energy: -29.717
flat angles P-C4'-P energy: -17.200
tors. eta vs tors. theta energy: -44.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -468.531017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.531017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.531017 (E_RNA)
where:
Base-Base interactions energy: -330.016
where: short stacking energy: -146.089
Base-Backbone interact. energy: -1.178
local terms energy: -137.337795
where:
bonds (distance) C4'-P energy: -21.565
bonds (distance) P-C4' energy: -30.360
flat angles C4'-P-C4' energy: -32.320
flat angles P-C4'-P energy: -17.735
tors. eta vs tors. theta energy: -35.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -446.189523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.189523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.189523 (E_RNA)
where:
Base-Base interactions energy: -305.457
where: short stacking energy: -134.568
Base-Backbone interact. energy: -0.506
local terms energy: -140.226675
where:
bonds (distance) C4'-P energy: -30.769
bonds (distance) P-C4' energy: -27.751
flat angles C4'-P-C4' energy: -27.571
flat angles P-C4'-P energy: -22.404
tors. eta vs tors. theta energy: -31.732
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: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -354.306684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.306684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.306684 (E_RNA)
where:
Base-Base interactions energy: -250.077
where: short stacking energy: -113.525
Base-Backbone interact. energy: 0.830
local terms energy: -105.059503
where:
bonds (distance) C4'-P energy: -17.731
bonds (distance) P-C4' energy: -31.253
flat angles C4'-P-C4' energy: -24.431
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -21.905
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: 154
Temperature: 1.350000
Total energy: -251.857556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.857556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.857556 (E_RNA)
where:
Base-Base interactions energy: -150.058
where: short stacking energy: -80.455
Base-Backbone interact. energy: -1.194
local terms energy: -100.605946
where:
bonds (distance) C4'-P energy: -18.885
bonds (distance) P-C4' energy: -29.438
flat angles C4'-P-C4' energy: -24.279
flat angles P-C4'-P energy: -16.270
tors. eta vs tors. theta energy: -11.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -593.163912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.163912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.163912 (E_RNA)
where:
Base-Base interactions energy: -418.410
where: short stacking energy: -190.544
Base-Backbone interact. energy: -0.472
local terms energy: -174.282149
where:
bonds (distance) C4'-P energy: -36.307
bonds (distance) P-C4' energy: -30.409
flat angles C4'-P-C4' energy: -34.422
flat angles P-C4'-P energy: -22.224
tors. eta vs tors. theta energy: -50.920
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: 7
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -585.180904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.180904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.180904 (E_RNA)
where:
Base-Base interactions energy: -412.364
where: short stacking energy: -169.653
Base-Backbone interact. energy: -1.430
local terms energy: -171.386876
where:
bonds (distance) C4'-P energy: -34.399
bonds (distance) P-C4' energy: -29.980
flat angles C4'-P-C4' energy: -29.752
flat angles P-C4'-P energy: -27.337
tors. eta vs tors. theta energy: -49.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -575.347027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.347027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.347027 (E_RNA)
where:
Base-Base interactions energy: -394.852
where: short stacking energy: -178.564
Base-Backbone interact. energy: -0.033
local terms energy: -180.462049
where:
bonds (distance) C4'-P energy: -26.703
bonds (distance) P-C4' energy: -33.403
flat angles C4'-P-C4' energy: -41.789
flat angles P-C4'-P energy: -26.179
tors. eta vs tors. theta energy: -52.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -535.407209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.407209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.407209 (E_RNA)
where:
Base-Base interactions energy: -354.978
where: short stacking energy: -162.744
Base-Backbone interact. energy: -1.523
local terms energy: -178.906380
where:
bonds (distance) C4'-P energy: -32.557
bonds (distance) P-C4' energy: -34.211
flat angles C4'-P-C4' energy: -37.405
flat angles P-C4'-P energy: -25.154
tors. eta vs tors. theta energy: -49.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -532.718201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.718201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.718201 (E_RNA)
where:
Base-Base interactions energy: -369.581
where: short stacking energy: -146.340
Base-Backbone interact. energy: -1.037
local terms energy: -162.099573
where:
bonds (distance) C4'-P energy: -33.050
bonds (distance) P-C4' energy: -38.185
flat angles C4'-P-C4' energy: -29.300
flat angles P-C4'-P energy: -22.092
tors. eta vs tors. theta energy: -39.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -508.026084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.026084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.026084 (E_RNA)
where:
Base-Base interactions energy: -362.555
where: short stacking energy: -162.529
Base-Backbone interact. energy: -0.196
local terms energy: -145.275630
where:
bonds (distance) C4'-P energy: -26.447
bonds (distance) P-C4' energy: -25.826
flat angles C4'-P-C4' energy: -31.941
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -47.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -395.364296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.364296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.364296 (E_RNA)
where:
Base-Base interactions energy: -259.483
where: short stacking energy: -116.823
Base-Backbone interact. energy: -0.915
local terms energy: -134.966509
where:
bonds (distance) C4'-P energy: -26.114
bonds (distance) P-C4' energy: -27.703
flat angles C4'-P-C4' energy: -32.339
flat angles P-C4'-P energy: -23.705
tors. eta vs tors. theta energy: -25.106
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: 3
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -452.550397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.550397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.550397 (E_RNA)
where:
Base-Base interactions energy: -322.949
where: short stacking energy: -133.653
Base-Backbone interact. energy: -0.354
local terms energy: -129.247161
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -29.575
flat angles C4'-P-C4' energy: -31.474
flat angles P-C4'-P energy: -18.953
tors. eta vs tors. theta energy: -33.138
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: 10
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -352.997060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.997060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.997060 (E_RNA)
where:
Base-Base interactions energy: -236.242
where: short stacking energy: -106.428
Base-Backbone interact. energy: -0.520
local terms energy: -116.235133
where:
bonds (distance) C4'-P energy: -25.557
bonds (distance) P-C4' energy: -32.575
flat angles C4'-P-C4' energy: -22.002
flat angles P-C4'-P energy: -15.442
tors. eta vs tors. theta energy: -20.660
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: 155
Temperature: 1.350000
Total energy: -273.661483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.661483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.661483 (E_RNA)
where:
Base-Base interactions energy: -163.495
where: short stacking energy: -93.715
Base-Backbone interact. energy: -0.557
local terms energy: -109.609755
where:
bonds (distance) C4'-P energy: -24.767
bonds (distance) P-C4' energy: -22.819
flat angles C4'-P-C4' energy: -27.280
flat angles P-C4'-P energy: -23.575
tors. eta vs tors. theta energy: -11.169
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: 2
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -599.238903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.238903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.238903 (E_RNA)
where:
Base-Base interactions energy: -425.994
where: short stacking energy: -188.179
Base-Backbone interact. energy: -0.277
local terms energy: -172.967228
where:
bonds (distance) C4'-P energy: -25.539
bonds (distance) P-C4' energy: -29.447
flat angles C4'-P-C4' energy: -37.720
flat angles P-C4'-P energy: -28.151
tors. eta vs tors. theta energy: -52.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -579.551704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.551704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.551704 (E_RNA)
where:
Base-Base interactions energy: -403.307
where: short stacking energy: -174.072
Base-Backbone interact. energy: 0.068
local terms energy: -176.312624
where:
bonds (distance) C4'-P energy: -33.215
bonds (distance) P-C4' energy: -32.721
flat angles C4'-P-C4' energy: -35.883
flat angles P-C4'-P energy: -28.516
tors. eta vs tors. theta energy: -45.977
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: 3, replica: 8
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -555.234084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.234084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.234084 (E_RNA)
where:
Base-Base interactions energy: -387.885
where: short stacking energy: -163.389
Base-Backbone interact. energy: -1.721
local terms energy: -165.628726
where:
bonds (distance) C4'-P energy: -33.069
bonds (distance) P-C4' energy: -29.754
flat angles C4'-P-C4' energy: -36.151
flat angles P-C4'-P energy: -19.679
tors. eta vs tors. theta energy: -46.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -531.169993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.169993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.169993 (E_RNA)
where:
Base-Base interactions energy: -366.519
where: short stacking energy: -168.268
Base-Backbone interact. energy: 0.568
local terms energy: -165.218536
where:
bonds (distance) C4'-P energy: -27.601
bonds (distance) P-C4' energy: -31.683
flat angles C4'-P-C4' energy: -36.262
flat angles P-C4'-P energy: -22.254
tors. eta vs tors. theta energy: -47.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -544.834307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.834307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.834307 (E_RNA)
where:
Base-Base interactions energy: -391.437
where: short stacking energy: -152.680
Base-Backbone interact. energy: -1.428
local terms energy: -151.969352
where:
bonds (distance) C4'-P energy: -27.056
bonds (distance) P-C4' energy: -33.873
flat angles C4'-P-C4' energy: -34.400
flat angles P-C4'-P energy: -16.693
tors. eta vs tors. theta energy: -39.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -515.787155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.787155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.787155 (E_RNA)
where:
Base-Base interactions energy: -363.006
where: short stacking energy: -156.380
Base-Backbone interact. energy: -0.286
local terms energy: -152.494511
where:
bonds (distance) C4'-P energy: -22.705
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -38.975
flat angles P-C4'-P energy: -26.084
tors. eta vs tors. theta energy: -47.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -443.151358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.151358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.151358 (E_RNA)
where:
Base-Base interactions energy: -309.762
where: short stacking energy: -135.528
Base-Backbone interact. energy: -0.632
local terms energy: -132.756949
where:
bonds (distance) C4'-P energy: -29.406
bonds (distance) P-C4' energy: -32.290
flat angles C4'-P-C4' energy: -31.747
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -30.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -382.948086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.948086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.948086 (E_RNA)
where:
Base-Base interactions energy: -250.461
where: short stacking energy: -115.047
Base-Backbone interact. energy: -0.962
local terms energy: -131.525016
where:
bonds (distance) C4'-P energy: -25.610
bonds (distance) P-C4' energy: -29.361
flat angles C4'-P-C4' energy: -35.148
flat angles P-C4'-P energy: -15.441
tors. eta vs tors. theta energy: -25.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -350.656765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.656765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.656765 (E_RNA)
where:
Base-Base interactions energy: -240.361
where: short stacking energy: -116.966
Base-Backbone interact. energy: 1.134
local terms energy: -111.429974
where:
bonds (distance) C4'-P energy: -23.154
bonds (distance) P-C4' energy: -33.868
flat angles C4'-P-C4' energy: -25.551
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -17.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -296.797897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.797897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.797897 (E_RNA)
where:
Base-Base interactions energy: -186.429
where: short stacking energy: -92.658
Base-Backbone interact. energy: -0.580
local terms energy: -109.788883
where:
bonds (distance) C4'-P energy: -29.902
bonds (distance) P-C4' energy: -35.746
flat angles C4'-P-C4' energy: -19.489
flat angles P-C4'-P energy: -14.660
tors. eta vs tors. theta energy: -9.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -590.086509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.086509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.086509 (E_RNA)
where:
Base-Base interactions energy: -412.545
where: short stacking energy: -178.467
Base-Backbone interact. energy: -0.969
local terms energy: -176.572626
where:
bonds (distance) C4'-P energy: -31.480
bonds (distance) P-C4' energy: -29.367
flat angles C4'-P-C4' energy: -39.430
flat angles P-C4'-P energy: -24.867
tors. eta vs tors. theta energy: -51.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -581.215671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.215671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.215671 (E_RNA)
where:
Base-Base interactions energy: -421.175
where: short stacking energy: -181.181
Base-Backbone interact. energy: -2.363
local terms energy: -157.677636
where:
bonds (distance) C4'-P energy: -28.490
bonds (distance) P-C4' energy: -28.217
flat angles C4'-P-C4' energy: -34.010
flat angles P-C4'-P energy: -24.048
tors. eta vs tors. theta energy: -42.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -560.143879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.143879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.143879 (E_RNA)
where:
Base-Base interactions energy: -393.485
where: short stacking energy: -175.120
Base-Backbone interact. energy: -0.711
local terms energy: -165.947407
where:
bonds (distance) C4'-P energy: -36.292
bonds (distance) P-C4' energy: -26.750
flat angles C4'-P-C4' energy: -26.556
flat angles P-C4'-P energy: -25.041
tors. eta vs tors. theta energy: -51.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -554.268144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.268144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.268144 (E_RNA)
where:
Base-Base interactions energy: -399.994
where: short stacking energy: -155.464
Base-Backbone interact. energy: -0.636
local terms energy: -153.638617
where:
bonds (distance) C4'-P energy: -21.980
bonds (distance) P-C4' energy: -30.956
flat angles C4'-P-C4' energy: -34.794
flat angles P-C4'-P energy: -21.058
tors. eta vs tors. theta energy: -44.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -526.960981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.960981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.960981 (E_RNA)
where:
Base-Base interactions energy: -357.463
where: short stacking energy: -157.540
Base-Backbone interact. energy: -0.857
local terms energy: -168.640280
where:
bonds (distance) C4'-P energy: -31.526
bonds (distance) P-C4' energy: -33.255
flat angles C4'-P-C4' energy: -30.459
flat angles P-C4'-P energy: -23.109
tors. eta vs tors. theta energy: -50.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -526.467071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.467071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.467071 (E_RNA)
where:
Base-Base interactions energy: -374.014
where: short stacking energy: -148.672
Base-Backbone interact. energy: -0.089
local terms energy: -152.363937
where:
bonds (distance) C4'-P energy: -27.707
bonds (distance) P-C4' energy: -26.409
flat angles C4'-P-C4' energy: -37.166
flat angles P-C4'-P energy: -15.229
tors. eta vs tors. theta energy: -45.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -423.195264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.195264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.195264 (E_RNA)
where:
Base-Base interactions energy: -291.552
where: short stacking energy: -129.397
Base-Backbone interact. energy: -0.672
local terms energy: -130.971415
where:
bonds (distance) C4'-P energy: -25.818
bonds (distance) P-C4' energy: -33.494
flat angles C4'-P-C4' energy: -29.633
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -30.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -383.459001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.459001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.459001 (E_RNA)
where:
Base-Base interactions energy: -250.699
where: short stacking energy: -114.369
Base-Backbone interact. energy: -0.202
local terms energy: -132.557698
where:
bonds (distance) C4'-P energy: -29.299
bonds (distance) P-C4' energy: -28.895
flat angles C4'-P-C4' energy: -25.329
flat angles P-C4'-P energy: -18.214
tors. eta vs tors. theta energy: -30.821
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: 9, replica: 4
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -398.293363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.293363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.293363 (E_RNA)
where:
Base-Base interactions energy: -275.177
where: short stacking energy: -136.992
Base-Backbone interact. energy: -0.071
local terms energy: -123.045319
where:
bonds (distance) C4'-P energy: -25.713
bonds (distance) P-C4' energy: -30.296
flat angles C4'-P-C4' energy: -24.184
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -31.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -328.722277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.722277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.722277 (E_RNA)
where:
Base-Base interactions energy: -205.643
where: short stacking energy: -98.474
Base-Backbone interact. energy: -0.665
local terms energy: -122.414803
where:
bonds (distance) C4'-P energy: -19.090
bonds (distance) P-C4' energy: -23.191
flat angles C4'-P-C4' energy: -35.195
flat angles P-C4'-P energy: -24.667
tors. eta vs tors. theta energy: -20.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -595.057488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.057488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.057488 (E_RNA)
where:
Base-Base interactions energy: -414.252
where: short stacking energy: -180.128
Base-Backbone interact. energy: -0.711
local terms energy: -180.094411
where:
bonds (distance) C4'-P energy: -33.684
bonds (distance) P-C4' energy: -33.306
flat angles C4'-P-C4' energy: -38.691
flat angles P-C4'-P energy: -23.827
tors. eta vs tors. theta energy: -50.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -573.097871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.097871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.097871 (E_RNA)
where:
Base-Base interactions energy: -413.219
where: short stacking energy: -166.549
Base-Backbone interact. energy: -1.171
local terms energy: -158.707630
where:
bonds (distance) C4'-P energy: -26.269
bonds (distance) P-C4' energy: -34.846
flat angles C4'-P-C4' energy: -32.136
flat angles P-C4'-P energy: -19.923
tors. eta vs tors. theta energy: -45.533
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: 1
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -558.928070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.928070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.928070 (E_RNA)
where:
Base-Base interactions energy: -396.121
where: short stacking energy: -157.003
Base-Backbone interact. energy: -0.652
local terms energy: -162.155628
where:
bonds (distance) C4'-P energy: -25.473
bonds (distance) P-C4' energy: -27.982
flat angles C4'-P-C4' energy: -36.321
flat angles P-C4'-P energy: -27.242
tors. eta vs tors. theta energy: -45.137
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: 8
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -549.131114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.131114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.131114 (E_RNA)
where:
Base-Base interactions energy: -388.507
where: short stacking energy: -174.775
Base-Backbone interact. energy: -0.944
local terms energy: -159.680430
where:
bonds (distance) C4'-P energy: -26.844
bonds (distance) P-C4' energy: -24.147
flat angles C4'-P-C4' energy: -36.480
flat angles P-C4'-P energy: -22.323
tors. eta vs tors. theta energy: -49.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -532.357969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.357969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.357969 (E_RNA)
where:
Base-Base interactions energy: -374.619
where: short stacking energy: -177.111
Base-Backbone interact. energy: -0.005
local terms energy: -157.734800
where:
bonds (distance) C4'-P energy: -27.462
bonds (distance) P-C4' energy: -26.306
flat angles C4'-P-C4' energy: -31.814
flat angles P-C4'-P energy: -22.272
tors. eta vs tors. theta energy: -49.880
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: 158
Temperature: 1.150000
Total energy: -502.921025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.921025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.921025 (E_RNA)
where:
Base-Base interactions energy: -348.637
where: short stacking energy: -160.781
Base-Backbone interact. energy: -0.142
local terms energy: -154.142369
where:
bonds (distance) C4'-P energy: -29.480
bonds (distance) P-C4' energy: -29.231
flat angles C4'-P-C4' energy: -30.730
flat angles P-C4'-P energy: -21.828
tors. eta vs tors. theta energy: -42.874
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: 3
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -431.395829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.395829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.395829 (E_RNA)
where:
Base-Base interactions energy: -282.673
where: short stacking energy: -139.525
Base-Backbone interact. energy: 0.140
local terms energy: -148.863129
where:
bonds (distance) C4'-P energy: -24.931
bonds (distance) P-C4' energy: -30.467
flat angles C4'-P-C4' energy: -31.306
flat angles P-C4'-P energy: -24.340
tors. eta vs tors. theta energy: -37.819
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: 8, replica: 10
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -392.817764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.817764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.817764 (E_RNA)
where:
Base-Base interactions energy: -275.307
where: short stacking energy: -113.107
Base-Backbone interact. energy: 0.790
local terms energy: -118.301088
where:
bonds (distance) C4'-P energy: -24.606
bonds (distance) P-C4' energy: -33.476
flat angles C4'-P-C4' energy: -26.780
flat angles P-C4'-P energy: -15.350
tors. eta vs tors. theta energy: -18.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -410.612157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.612157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.612157 (E_RNA)
where:
Base-Base interactions energy: -277.085
where: short stacking energy: -120.118
Base-Backbone interact. energy: 0.302
local terms energy: -133.828471
where:
bonds (distance) C4'-P energy: -28.858
bonds (distance) P-C4' energy: -28.082
flat angles C4'-P-C4' energy: -32.787
flat angles P-C4'-P energy: -16.015
tors. eta vs tors. theta energy: -28.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -315.073647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.073647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.073647 (E_RNA)
where:
Base-Base interactions energy: -199.741
where: short stacking energy: -98.443
Base-Backbone interact. energy: -1.572
local terms energy: -113.760658
where:
bonds (distance) C4'-P energy: -30.456
bonds (distance) P-C4' energy: -29.348
flat angles C4'-P-C4' energy: -23.740
flat angles P-C4'-P energy: -16.350
tors. eta vs tors. theta energy: -13.867
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: 2
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -595.989303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.989303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.989303 (E_RNA)
where:
Base-Base interactions energy: -412.614
where: short stacking energy: -184.821
Base-Backbone interact. energy: -0.623
local terms energy: -182.751740
where:
bonds (distance) C4'-P energy: -28.163
bonds (distance) P-C4' energy: -38.444
flat angles C4'-P-C4' energy: -36.450
flat angles P-C4'-P energy: -25.732
tors. eta vs tors. theta energy: -53.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -575.759181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.759181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.759181 (E_RNA)
where:
Base-Base interactions energy: -406.308
where: short stacking energy: -161.154
Base-Backbone interact. energy: -3.026
local terms energy: -166.425666
where:
bonds (distance) C4'-P energy: -30.500
bonds (distance) P-C4' energy: -33.981
flat angles C4'-P-C4' energy: -36.315
flat angles P-C4'-P energy: -22.763
tors. eta vs tors. theta energy: -42.866
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: 7
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -558.319306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.319306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.319306 (E_RNA)
where:
Base-Base interactions energy: -399.936
where: short stacking energy: -158.953
Base-Backbone interact. energy: 0.299
local terms energy: -158.682580
where:
bonds (distance) C4'-P energy: -27.103
bonds (distance) P-C4' energy: -28.510
flat angles C4'-P-C4' energy: -32.972
flat angles P-C4'-P energy: -24.529
tors. eta vs tors. theta energy: -45.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -550.304358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.304358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.304358 (E_RNA)
where:
Base-Base interactions energy: -382.566
where: short stacking energy: -165.848
Base-Backbone interact. energy: -1.684
local terms energy: -166.055100
where:
bonds (distance) C4'-P energy: -33.937
bonds (distance) P-C4' energy: -27.312
flat angles C4'-P-C4' energy: -37.442
flat angles P-C4'-P energy: -24.730
tors. eta vs tors. theta energy: -42.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -530.104140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.104140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.104140 (E_RNA)
where:
Base-Base interactions energy: -371.071
where: short stacking energy: -170.842
Base-Backbone interact. energy: -0.005
local terms energy: -159.027735
where:
bonds (distance) C4'-P energy: -24.766
bonds (distance) P-C4' energy: -29.675
flat angles C4'-P-C4' energy: -32.938
flat angles P-C4'-P energy: -28.043
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: 6, replica: 5
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -501.467000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.467000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.467000 (E_RNA)
where:
Base-Base interactions energy: -363.766
where: short stacking energy: -156.001
Base-Backbone interact. energy: -0.054
local terms energy: -137.646338
where:
bonds (distance) C4'-P energy: -22.618
bonds (distance) P-C4' energy: -23.676
flat angles C4'-P-C4' energy: -31.527
flat angles P-C4'-P energy: -18.161
tors. eta vs tors. theta energy: -41.665
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: 7, replica: 3
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -432.399278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.399278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.399278 (E_RNA)
where:
Base-Base interactions energy: -285.868
where: short stacking energy: -136.475
Base-Backbone interact. energy: -0.663
local terms energy: -145.867949
where:
bonds (distance) C4'-P energy: -29.818
bonds (distance) P-C4' energy: -33.880
flat angles C4'-P-C4' energy: -26.840
flat angles P-C4'-P energy: -19.742
tors. eta vs tors. theta energy: -35.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -447.223760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.223760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.223760 (E_RNA)
where:
Base-Base interactions energy: -318.868
where: short stacking energy: -142.447
Base-Backbone interact. energy: -0.210
local terms energy: -128.145723
where:
bonds (distance) C4'-P energy: -24.690
bonds (distance) P-C4' energy: -31.986
flat angles C4'-P-C4' energy: -25.196
flat angles P-C4'-P energy: -16.751
tors. eta vs tors. theta energy: -29.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -324.105643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.105643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.105643 (E_RNA)
where:
Base-Base interactions energy: -216.123
where: short stacking energy: -100.803
Base-Backbone interact. energy: -0.905
local terms energy: -107.078224
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -30.143
flat angles C4'-P-C4' energy: -22.916
flat angles P-C4'-P energy: -23.480
tors. eta vs tors. theta energy: -19.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -251.642993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.642993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.642993 (E_RNA)
where:
Base-Base interactions energy: -155.989
where: short stacking energy: -76.010
Base-Backbone interact. energy: -0.794
local terms energy: -94.860185
where:
bonds (distance) C4'-P energy: -23.120
bonds (distance) P-C4' energy: -27.144
flat angles C4'-P-C4' energy: -21.319
flat angles P-C4'-P energy: -16.400
tors. eta vs tors. theta energy: -6.877
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: 2
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -583.990769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.990769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.990769 (E_RNA)
where:
Base-Base interactions energy: -402.717
where: short stacking energy: -176.997
Base-Backbone interact. energy: -0.418
local terms energy: -180.855539
where:
bonds (distance) C4'-P energy: -36.129
bonds (distance) P-C4' energy: -30.981
flat angles C4'-P-C4' energy: -35.462
flat angles P-C4'-P energy: -24.398
tors. eta vs tors. theta energy: -53.885
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: 1
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -576.132124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.132124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.132124 (E_RNA)
where:
Base-Base interactions energy: -413.259
where: short stacking energy: -163.908
Base-Backbone interact. energy: 2.337
local terms energy: -165.209719
where:
bonds (distance) C4'-P energy: -30.771
bonds (distance) P-C4' energy: -28.200
flat angles C4'-P-C4' energy: -40.862
flat angles P-C4'-P energy: -18.853
tors. eta vs tors. theta energy: -46.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -569.970293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.970293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.970293 (E_RNA)
where:
Base-Base interactions energy: -392.281
where: short stacking energy: -162.931
Base-Backbone interact. energy: -1.177
local terms energy: -176.512153
where:
bonds (distance) C4'-P energy: -34.077
bonds (distance) P-C4' energy: -32.484
flat angles C4'-P-C4' energy: -32.352
flat angles P-C4'-P energy: -26.470
tors. eta vs tors. theta energy: -51.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -543.201361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.201361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.201361 (E_RNA)
where:
Base-Base interactions energy: -377.589
where: short stacking energy: -164.644
Base-Backbone interact. energy: -0.554
local terms energy: -165.058379
where:
bonds (distance) C4'-P energy: -30.968
bonds (distance) P-C4' energy: -32.046
flat angles C4'-P-C4' energy: -38.205
flat angles P-C4'-P energy: -21.124
tors. eta vs tors. theta energy: -42.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -527.774819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.774819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.774819 (E_RNA)
where:
Base-Base interactions energy: -372.627
where: short stacking energy: -163.942
Base-Backbone interact. energy: -0.150
local terms energy: -154.998162
where:
bonds (distance) C4'-P energy: -28.516
bonds (distance) P-C4' energy: -26.505
flat angles C4'-P-C4' energy: -29.620
flat angles P-C4'-P energy: -21.547
tors. eta vs tors. theta energy: -48.811
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: 160
Temperature: 1.150000
Total energy: -516.780410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.780410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.780410 (E_RNA)
where:
Base-Base interactions energy: -353.632
where: short stacking energy: -152.097
Base-Backbone interact. energy: -0.076
local terms energy: -163.072365
where:
bonds (distance) C4'-P energy: -36.268
bonds (distance) P-C4' energy: -19.689
flat angles C4'-P-C4' energy: -35.063
flat angles P-C4'-P energy: -24.818
tors. eta vs tors. theta energy: -47.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -456.825215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.825215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.825215 (E_RNA)
where:
Base-Base interactions energy: -312.641
where: short stacking energy: -140.044
Base-Backbone interact. energy: -0.714
local terms energy: -143.470795
where:
bonds (distance) C4'-P energy: -24.507
bonds (distance) P-C4' energy: -30.915
flat angles C4'-P-C4' energy: -31.261
flat angles P-C4'-P energy: -21.821
tors. eta vs tors. theta energy: -34.967
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: 3
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -429.986568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.986568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.986568 (E_RNA)
where:
Base-Base interactions energy: -297.623
where: short stacking energy: -135.431
Base-Backbone interact. energy: -0.714
local terms energy: -131.648963
where:
bonds (distance) C4'-P energy: -26.159
bonds (distance) P-C4' energy: -29.779
flat angles C4'-P-C4' energy: -27.066
flat angles P-C4'-P energy: -17.149
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: 9, replica: 10
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -343.574997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.574997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.574997 (E_RNA)
where:
Base-Base interactions energy: -230.609
where: short stacking energy: -114.401
Base-Backbone interact. energy: -0.301
local terms energy: -112.665140
where:
bonds (distance) C4'-P energy: -25.613
bonds (distance) P-C4' energy: -21.367
flat angles C4'-P-C4' energy: -26.372
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -26.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -278.115611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.115611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.115611 (E_RNA)
where:
Base-Base interactions energy: -180.412
where: short stacking energy: -79.193
Base-Backbone interact. energy: 1.731
local terms energy: -99.434728
where:
bonds (distance) C4'-P energy: -19.498
bonds (distance) P-C4' energy: -23.519
flat angles C4'-P-C4' energy: -26.425
flat angles P-C4'-P energy: -15.408
tors. eta vs tors. theta energy: -14.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -594.900448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.900448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.900448 (E_RNA)
where:
Base-Base interactions energy: -419.049
where: short stacking energy: -190.078
Base-Backbone interact. energy: -0.164
local terms energy: -175.687156
where:
bonds (distance) C4'-P energy: -34.187
bonds (distance) P-C4' energy: -29.167
flat angles C4'-P-C4' energy: -36.139
flat angles P-C4'-P energy: -24.836
tors. eta vs tors. theta energy: -51.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -580.167461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.167461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.167461 (E_RNA)
where:
Base-Base interactions energy: -416.102
where: short stacking energy: -165.917
Base-Backbone interact. energy: -0.919
local terms energy: -163.146204
where:
bonds (distance) C4'-P energy: -29.934
bonds (distance) P-C4' energy: -29.253
flat angles C4'-P-C4' energy: -37.886
flat angles P-C4'-P energy: -19.610
tors. eta vs tors. theta energy: -46.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -562.006217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.006217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.006217 (E_RNA)
where:
Base-Base interactions energy: -392.237
where: short stacking energy: -149.737
Base-Backbone interact. energy: -0.041
local terms energy: -169.728319
where:
bonds (distance) C4'-P energy: -34.939
bonds (distance) P-C4' energy: -37.979
flat angles C4'-P-C4' energy: -30.714
flat angles P-C4'-P energy: -27.053
tors. eta vs tors. theta energy: -39.043
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: 4, replica: 5
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -557.064822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.064822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.064822 (E_RNA)
where:
Base-Base interactions energy: -383.823
where: short stacking energy: -172.392
Base-Backbone interact. energy: -0.430
local terms energy: -172.812253
where:
bonds (distance) C4'-P energy: -28.804
bonds (distance) P-C4' energy: -34.873
flat angles C4'-P-C4' energy: -36.348
flat angles P-C4'-P energy: -26.147
tors. eta vs tors. theta energy: -46.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -545.486680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.486680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.486680 (E_RNA)
where:
Base-Base interactions energy: -376.491
where: short stacking energy: -163.832
Base-Backbone interact. energy: -1.454
local terms energy: -167.541495
where:
bonds (distance) C4'-P energy: -34.452
bonds (distance) P-C4' energy: -28.176
flat angles C4'-P-C4' energy: -35.278
flat angles P-C4'-P energy: -19.568
tors. eta vs tors. theta energy: -50.067
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: 6
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -508.868375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.868375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.868375 (E_RNA)
where:
Base-Base interactions energy: -350.035
where: short stacking energy: -147.684
Base-Backbone interact. energy: -1.014
local terms energy: -157.819704
where:
bonds (distance) C4'-P energy: -31.915
bonds (distance) P-C4' energy: -26.878
flat angles C4'-P-C4' energy: -31.680
flat angles P-C4'-P energy: -22.286
tors. eta vs tors. theta energy: -45.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -450.454743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.454743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.454743 (E_RNA)
where:
Base-Base interactions energy: -301.575
where: short stacking energy: -129.795
Base-Backbone interact. energy: -0.262
local terms energy: -148.616964
where:
bonds (distance) C4'-P energy: -22.107
bonds (distance) P-C4' energy: -35.346
flat angles C4'-P-C4' energy: -33.714
flat angles P-C4'-P energy: -19.978
tors. eta vs tors. theta energy: -37.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -448.657561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.657561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.657561 (E_RNA)
where:
Base-Base interactions energy: -306.217
where: short stacking energy: -124.992
Base-Backbone interact. energy: -1.002
local terms energy: -141.437726
where:
bonds (distance) C4'-P energy: -23.165
bonds (distance) P-C4' energy: -33.674
flat angles C4'-P-C4' energy: -33.897
flat angles P-C4'-P energy: -14.128
tors. eta vs tors. theta energy: -36.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -348.572485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.572485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.572485 (E_RNA)
where:
Base-Base interactions energy: -225.464
where: short stacking energy: -99.980
Base-Backbone interact. energy: 2.971
local terms energy: -126.079753
where:
bonds (distance) C4'-P energy: -29.537
bonds (distance) P-C4' energy: -28.643
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -23.449
tors. eta vs tors. theta energy: -25.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -333.351557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.351557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.351557 (E_RNA)
where:
Base-Base interactions energy: -218.343
where: short stacking energy: -105.386
Base-Backbone interact. energy: -0.646
local terms energy: -114.362607
where:
bonds (distance) C4'-P energy: -17.848
bonds (distance) P-C4' energy: -31.925
flat angles C4'-P-C4' energy: -30.255
flat angles P-C4'-P energy: -13.642
tors. eta vs tors. theta energy: -20.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -587.773632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.773632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.773632 (E_RNA)
where:
Base-Base interactions energy: -415.854
where: short stacking energy: -169.629
Base-Backbone interact. energy: -1.379
local terms energy: -170.540349
where:
bonds (distance) C4'-P energy: -32.058
bonds (distance) P-C4' energy: -31.819
flat angles C4'-P-C4' energy: -34.497
flat angles P-C4'-P energy: -23.287
tors. eta vs tors. theta energy: -48.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -563.909900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.909900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.909900 (E_RNA)
where:
Base-Base interactions energy: -397.797
where: short stacking energy: -177.314
Base-Backbone interact. energy: 0.092
local terms energy: -166.204911
where:
bonds (distance) C4'-P energy: -30.043
bonds (distance) P-C4' energy: -23.720
flat angles C4'-P-C4' energy: -39.985
flat angles P-C4'-P energy: -25.365
tors. eta vs tors. theta energy: -47.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -543.229112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.229112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.229112 (E_RNA)
where:
Base-Base interactions energy: -375.591
where: short stacking energy: -182.529
Base-Backbone interact. energy: 0.871
local terms energy: -168.508271
where:
bonds (distance) C4'-P energy: -26.291
bonds (distance) P-C4' energy: -32.433
flat angles C4'-P-C4' energy: -34.118
flat angles P-C4'-P energy: -25.485
tors. eta vs tors. theta energy: -50.181
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: 1
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -548.544500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.544500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.544500 (E_RNA)
where:
Base-Base interactions energy: -386.325
where: short stacking energy: -150.838
Base-Backbone interact. energy: -1.254
local terms energy: -160.965482
where:
bonds (distance) C4'-P energy: -30.288
bonds (distance) P-C4' energy: -33.706
flat angles C4'-P-C4' energy: -35.865
flat angles P-C4'-P energy: -20.411
tors. eta vs tors. theta energy: -40.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -533.703191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.703191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.703191 (E_RNA)
where:
Base-Base interactions energy: -372.044
where: short stacking energy: -157.623
Base-Backbone interact. energy: 0.458
local terms energy: -162.117654
where:
bonds (distance) C4'-P energy: -26.763
bonds (distance) P-C4' energy: -29.619
flat angles C4'-P-C4' energy: -34.793
flat angles P-C4'-P energy: -25.501
tors. eta vs tors. theta energy: -45.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -506.433686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.433686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.433686 (E_RNA)
where:
Base-Base interactions energy: -343.395
where: short stacking energy: -153.587
Base-Backbone interact. energy: -0.366
local terms energy: -162.673071
where:
bonds (distance) C4'-P energy: -32.316
bonds (distance) P-C4' energy: -30.603
flat angles C4'-P-C4' energy: -33.341
flat angles P-C4'-P energy: -19.410
tors. eta vs tors. theta energy: -47.003
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: 4
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -464.353641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.353641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.353641 (E_RNA)
where:
Base-Base interactions energy: -319.354
where: short stacking energy: -143.214
Base-Backbone interact. energy: -2.726
local terms energy: -142.273870
where:
bonds (distance) C4'-P energy: -27.202
bonds (distance) P-C4' energy: -24.947
flat angles C4'-P-C4' energy: -30.571
flat angles P-C4'-P energy: -16.776
tors. eta vs tors. theta energy: -42.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -448.618222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.618222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.618222 (E_RNA)
where:
Base-Base interactions energy: -315.592
where: short stacking energy: -146.136
Base-Backbone interact. energy: -2.166
local terms energy: -130.860281
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -31.790
flat angles C4'-P-C4' energy: -28.369
flat angles P-C4'-P energy: -19.093
tors. eta vs tors. theta energy: -36.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -343.542629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.542629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.542629 (E_RNA)
where:
Base-Base interactions energy: -228.202
where: short stacking energy: -95.931
Base-Backbone interact. energy: -0.421
local terms energy: -114.919872
where:
bonds (distance) C4'-P energy: -18.182
bonds (distance) P-C4' energy: -28.805
flat angles C4'-P-C4' energy: -26.834
flat angles P-C4'-P energy: -25.672
tors. eta vs tors. theta energy: -15.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -322.649920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.649920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.649920 (E_RNA)
where:
Base-Base interactions energy: -203.307
where: short stacking energy: -98.801
Base-Backbone interact. energy: -0.222
local terms energy: -119.120623
where:
bonds (distance) C4'-P energy: -30.958
bonds (distance) P-C4' energy: -32.675
flat angles C4'-P-C4' energy: -20.555
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -27.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -581.728679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.728679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.728679 (E_RNA)
where:
Base-Base interactions energy: -405.306
where: short stacking energy: -174.136
Base-Backbone interact. energy: -1.213
local terms energy: -175.210060
where:
bonds (distance) C4'-P energy: -32.627
bonds (distance) P-C4' energy: -32.299
flat angles C4'-P-C4' energy: -36.663
flat angles P-C4'-P energy: -25.282
tors. eta vs tors. theta energy: -48.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -591.295169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.295169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.295169 (E_RNA)
where:
Base-Base interactions energy: -412.401
where: short stacking energy: -179.322
Base-Backbone interact. energy: -0.057
local terms energy: -178.837446
where:
bonds (distance) C4'-P energy: -32.356
bonds (distance) P-C4' energy: -29.366
flat angles C4'-P-C4' energy: -35.848
flat angles P-C4'-P energy: -27.464
tors. eta vs tors. theta energy: -53.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -548.905012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.905012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.905012 (E_RNA)
where:
Base-Base interactions energy: -380.116
where: short stacking energy: -156.498
Base-Backbone interact. energy: -0.260
local terms energy: -168.528242
where:
bonds (distance) C4'-P energy: -36.801
bonds (distance) P-C4' energy: -30.428
flat angles C4'-P-C4' energy: -30.731
flat angles P-C4'-P energy: -23.446
tors. eta vs tors. theta energy: -47.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -543.712134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.712134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.712134 (E_RNA)
where:
Base-Base interactions energy: -377.145
where: short stacking energy: -157.121
Base-Backbone interact. energy: -0.231
local terms energy: -166.336023
where:
bonds (distance) C4'-P energy: -32.826
bonds (distance) P-C4' energy: -29.202
flat angles C4'-P-C4' energy: -35.836
flat angles P-C4'-P energy: -22.791
tors. eta vs tors. theta energy: -45.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -540.323904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.323904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.323904 (E_RNA)
where:
Base-Base interactions energy: -388.785
where: short stacking energy: -141.815
Base-Backbone interact. energy: 0.000
local terms energy: -151.539330
where:
bonds (distance) C4'-P energy: -31.947
bonds (distance) P-C4' energy: -27.254
flat angles C4'-P-C4' energy: -28.643
flat angles P-C4'-P energy: -24.263
tors. eta vs tors. theta energy: -39.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -514.952933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.952933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.952933 (E_RNA)
where:
Base-Base interactions energy: -353.530
where: short stacking energy: -160.452
Base-Backbone interact. energy: -0.100
local terms energy: -161.323073
where:
bonds (distance) C4'-P energy: -25.899
bonds (distance) P-C4' energy: -29.594
flat angles C4'-P-C4' energy: -33.416
flat angles P-C4'-P energy: -24.795
tors. eta vs tors. theta energy: -47.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -454.605743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.605743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.605743 (E_RNA)
where:
Base-Base interactions energy: -303.346
where: short stacking energy: -135.515
Base-Backbone interact. energy: -2.143
local terms energy: -149.116726
where:
bonds (distance) C4'-P energy: -31.385
bonds (distance) P-C4' energy: -29.790
flat angles C4'-P-C4' energy: -29.902
flat angles P-C4'-P energy: -25.195
tors. eta vs tors. theta energy: -32.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -406.058454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.058454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.058454 (E_RNA)
where:
Base-Base interactions energy: -273.792
where: short stacking energy: -115.056
Base-Backbone interact. energy: -1.109
local terms energy: -131.157773
where:
bonds (distance) C4'-P energy: -28.661
bonds (distance) P-C4' energy: -23.121
flat angles C4'-P-C4' energy: -31.686
flat angles P-C4'-P energy: -21.894
tors. eta vs tors. theta energy: -25.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -369.046405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.046405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.046405 (E_RNA)
where:
Base-Base interactions energy: -251.433
where: short stacking energy: -128.999
Base-Backbone interact. energy: 2.112
local terms energy: -119.724526
where:
bonds (distance) C4'-P energy: -22.207
bonds (distance) P-C4' energy: -27.165
flat angles C4'-P-C4' energy: -23.666
flat angles P-C4'-P energy: -18.337
tors. eta vs tors. theta energy: -28.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -305.939260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.939260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.939260 (E_RNA)
where:
Base-Base interactions energy: -184.299
where: short stacking energy: -99.335
Base-Backbone interact. energy: 0.071
local terms energy: -121.710702
where:
bonds (distance) C4'-P energy: -26.055
bonds (distance) P-C4' energy: -32.497
flat angles C4'-P-C4' energy: -24.575
flat angles P-C4'-P energy: -13.745
tors. eta vs tors. theta energy: -24.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -587.360305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.360305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.360305 (E_RNA)
where:
Base-Base interactions energy: -412.053
where: short stacking energy: -191.655
Base-Backbone interact. energy: -0.124
local terms energy: -175.183114
where:
bonds (distance) C4'-P energy: -29.758
bonds (distance) P-C4' energy: -28.167
flat angles C4'-P-C4' energy: -39.911
flat angles P-C4'-P energy: -25.211
tors. eta vs tors. theta energy: -52.136
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: 2, replica: 7
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -580.980725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.980725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.980725 (E_RNA)
where:
Base-Base interactions energy: -397.895
where: short stacking energy: -172.498
Base-Backbone interact. energy: -1.970
local terms energy: -181.115673
where:
bonds (distance) C4'-P energy: -37.143
bonds (distance) P-C4' energy: -36.182
flat angles C4'-P-C4' energy: -34.505
flat angles P-C4'-P energy: -23.287
tors. eta vs tors. theta energy: -49.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -553.937277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.937277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.937277 (E_RNA)
where:
Base-Base interactions energy: -386.387
where: short stacking energy: -163.644
Base-Backbone interact. energy: -0.985
local terms energy: -166.564486
where:
bonds (distance) C4'-P energy: -31.836
bonds (distance) P-C4' energy: -32.784
flat angles C4'-P-C4' energy: -35.804
flat angles P-C4'-P energy: -26.248
tors. eta vs tors. theta energy: -39.893
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: 164
Temperature: 1.050000
Total energy: -536.479703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.479703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.479703 (E_RNA)
where:
Base-Base interactions energy: -365.035
where: short stacking energy: -167.917
Base-Backbone interact. energy: -0.380
local terms energy: -171.064549
where:
bonds (distance) C4'-P energy: -27.932
bonds (distance) P-C4' energy: -34.834
flat angles C4'-P-C4' energy: -34.964
flat angles P-C4'-P energy: -27.256
tors. eta vs tors. theta energy: -46.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -521.408083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.408083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.408083 (E_RNA)
where:
Base-Base interactions energy: -353.089
where: short stacking energy: -159.088
Base-Backbone interact. energy: 0.434
local terms energy: -168.752972
where:
bonds (distance) C4'-P energy: -29.635
bonds (distance) P-C4' energy: -30.005
flat angles C4'-P-C4' energy: -34.493
flat angles P-C4'-P energy: -27.045
tors. eta vs tors. theta energy: -47.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -523.683321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.683321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.683321 (E_RNA)
where:
Base-Base interactions energy: -384.484
where: short stacking energy: -145.965
Base-Backbone interact. energy: -0.622
local terms energy: -138.576674
where:
bonds (distance) C4'-P energy: -22.916
bonds (distance) P-C4' energy: -21.327
flat angles C4'-P-C4' energy: -36.799
flat angles P-C4'-P energy: -23.162
tors. eta vs tors. theta energy: -34.373
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: 7, replica: 4
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -460.352794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.352794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.352794 (E_RNA)
where:
Base-Base interactions energy: -327.615
where: short stacking energy: -138.968
Base-Backbone interact. energy: -1.068
local terms energy: -131.669807
where:
bonds (distance) C4'-P energy: -26.377
bonds (distance) P-C4' energy: -25.752
flat angles C4'-P-C4' energy: -25.879
flat angles P-C4'-P energy: -19.819
tors. eta vs tors. theta energy: -33.843
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: 3
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -410.457624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.457624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.457624 (E_RNA)
where:
Base-Base interactions energy: -287.164
where: short stacking energy: -118.522
Base-Backbone interact. energy: -0.541
local terms energy: -122.752268
where:
bonds (distance) C4'-P energy: -25.759
bonds (distance) P-C4' energy: -22.431
flat angles C4'-P-C4' energy: -28.704
flat angles P-C4'-P energy: -15.153
tors. eta vs tors. theta energy: -30.706
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: 10
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -348.818817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.818817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.818817 (E_RNA)
where:
Base-Base interactions energy: -232.861
where: short stacking energy: -124.719
Base-Backbone interact. energy: -0.636
local terms energy: -115.322412
where:
bonds (distance) C4'-P energy: -25.265
bonds (distance) P-C4' energy: -23.238
flat angles C4'-P-C4' energy: -23.925
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -30.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -356.431182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.431182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.431182 (E_RNA)
where:
Base-Base interactions energy: -242.724
where: short stacking energy: -112.749
Base-Backbone interact. energy: -0.424
local terms energy: -113.282542
where:
bonds (distance) C4'-P energy: -29.088
bonds (distance) P-C4' energy: -26.025
flat angles C4'-P-C4' energy: -27.422
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -18.886
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: 2
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -586.760155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.760155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.760155 (E_RNA)
where:
Base-Base interactions energy: -407.039
where: short stacking energy: -181.804
Base-Backbone interact. energy: 0.214
local terms energy: -179.935311
where:
bonds (distance) C4'-P energy: -32.714
bonds (distance) P-C4' energy: -31.085
flat angles C4'-P-C4' energy: -39.657
flat angles P-C4'-P energy: -25.877
tors. eta vs tors. theta energy: -50.602
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: 8
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -556.091474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.091474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.091474 (E_RNA)
where:
Base-Base interactions energy: -385.783
where: short stacking energy: -168.623
Base-Backbone interact. energy: -0.590
local terms energy: -169.719098
where:
bonds (distance) C4'-P energy: -28.090
bonds (distance) P-C4' energy: -34.160
flat angles C4'-P-C4' energy: -35.666
flat angles P-C4'-P energy: -27.643
tors. eta vs tors. theta energy: -44.160
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: 3, replica: 7
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -568.788311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.788311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.788311 (E_RNA)
where:
Base-Base interactions energy: -389.748
where: short stacking energy: -164.475
Base-Backbone interact. energy: -0.691
local terms energy: -178.349684
where:
bonds (distance) C4'-P energy: -31.599
bonds (distance) P-C4' energy: -32.976
flat angles C4'-P-C4' energy: -34.993
flat angles P-C4'-P energy: -27.840
tors. eta vs tors. theta energy: -50.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -527.769920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.769920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.769920 (E_RNA)
where:
Base-Base interactions energy: -358.881
where: short stacking energy: -158.417
Base-Backbone interact. energy: -0.275
local terms energy: -168.613975
where:
bonds (distance) C4'-P energy: -30.474
bonds (distance) P-C4' energy: -36.742
flat angles C4'-P-C4' energy: -31.035
flat angles P-C4'-P energy: -23.036
tors. eta vs tors. theta energy: -47.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -535.889764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.889764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.889764 (E_RNA)
where:
Base-Base interactions energy: -388.870
where: short stacking energy: -167.411
Base-Backbone interact. energy: -0.327
local terms energy: -146.692185
where:
bonds (distance) C4'-P energy: -25.146
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -36.145
flat angles P-C4'-P energy: -23.165
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: 6, replica: 1
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -515.239719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.239719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.239719 (E_RNA)
where:
Base-Base interactions energy: -372.233
where: short stacking energy: -159.265
Base-Backbone interact. energy: -0.862
local terms energy: -142.144789
where:
bonds (distance) C4'-P energy: -17.591
bonds (distance) P-C4' energy: -29.250
flat angles C4'-P-C4' energy: -28.541
flat angles P-C4'-P energy: -26.027
tors. eta vs tors. theta energy: -40.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -450.895100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.895100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.895100 (E_RNA)
where:
Base-Base interactions energy: -311.642
where: short stacking energy: -126.165
Base-Backbone interact. energy: -1.588
local terms energy: -137.665182
where:
bonds (distance) C4'-P energy: -29.588
bonds (distance) P-C4' energy: -28.092
flat angles C4'-P-C4' energy: -32.745
flat angles P-C4'-P energy: -18.848
tors. eta vs tors. theta energy: -28.392
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: 3
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -424.790463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.790463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.790463 (E_RNA)
where:
Base-Base interactions energy: -289.812
where: short stacking energy: -129.513
Base-Backbone interact. energy: -0.260
local terms energy: -134.718617
where:
bonds (distance) C4'-P energy: -21.301
bonds (distance) P-C4' energy: -26.719
flat angles C4'-P-C4' energy: -33.003
flat angles P-C4'-P energy: -23.693
tors. eta vs tors. theta energy: -30.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -351.483694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.483694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.483694 (E_RNA)
where:
Base-Base interactions energy: -245.758
where: short stacking energy: -118.601
Base-Backbone interact. energy: -0.067
local terms energy: -105.658473
where:
bonds (distance) C4'-P energy: -21.215
bonds (distance) P-C4' energy: -28.186
flat angles C4'-P-C4' energy: -22.718
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: -20.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -364.162005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.162005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.162005 (E_RNA)
where:
Base-Base interactions energy: -239.757
where: short stacking energy: -102.048
Base-Backbone interact. energy: -0.582
local terms energy: -123.822686
where:
bonds (distance) C4'-P energy: -19.507
bonds (distance) P-C4' energy: -30.588
flat angles C4'-P-C4' energy: -34.328
flat angles P-C4'-P energy: -17.029
tors. eta vs tors. theta energy: -22.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -595.213899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.213899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.213899 (E_RNA)
where:
Base-Base interactions energy: -418.995
where: short stacking energy: -185.126
Base-Backbone interact. energy: -1.527
local terms energy: -174.691668
where:
bonds (distance) C4'-P energy: -38.962
bonds (distance) P-C4' energy: -33.684
flat angles C4'-P-C4' energy: -29.604
flat angles P-C4'-P energy: -19.609
tors. eta vs tors. theta energy: -52.832
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: 8
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -554.222164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.222164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.222164 (E_RNA)
where:
Base-Base interactions energy: -386.069
where: short stacking energy: -171.366
Base-Backbone interact. energy: -0.816
local terms energy: -167.337268
where:
bonds (distance) C4'-P energy: -30.590
bonds (distance) P-C4' energy: -34.052
flat angles C4'-P-C4' energy: -34.070
flat angles P-C4'-P energy: -23.875
tors. eta vs tors. theta energy: -44.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -550.589295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.589295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.589295 (E_RNA)
where:
Base-Base interactions energy: -382.183
where: short stacking energy: -172.257
Base-Backbone interact. energy: -0.942
local terms energy: -167.464574
where:
bonds (distance) C4'-P energy: -28.123
bonds (distance) P-C4' energy: -32.940
flat angles C4'-P-C4' energy: -35.425
flat angles P-C4'-P energy: -22.283
tors. eta vs tors. theta energy: -48.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -529.837064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.837064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.837064 (E_RNA)
where:
Base-Base interactions energy: -369.209
where: short stacking energy: -151.791
Base-Backbone interact. energy: -0.340
local terms energy: -160.287901
where:
bonds (distance) C4'-P energy: -29.489
bonds (distance) P-C4' energy: -34.836
flat angles C4'-P-C4' energy: -34.549
flat angles P-C4'-P energy: -21.917
tors. eta vs tors. theta energy: -39.497
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: 6
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -549.363629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.363629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.363629 (E_RNA)
where:
Base-Base interactions energy: -391.825
where: short stacking energy: -167.892
Base-Backbone interact. energy: -1.691
local terms energy: -155.847558
where:
bonds (distance) C4'-P energy: -21.995
bonds (distance) P-C4' energy: -22.515
flat angles C4'-P-C4' energy: -34.874
flat angles P-C4'-P energy: -24.944
tors. eta vs tors. theta energy: -51.519
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: 6, replica: 1
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -542.936801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.936801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.936801 (E_RNA)
where:
Base-Base interactions energy: -389.537
where: short stacking energy: -153.487
Base-Backbone interact. energy: -0.535
local terms energy: -152.864361
where:
bonds (distance) C4'-P energy: -36.414
bonds (distance) P-C4' energy: -28.308
flat angles C4'-P-C4' energy: -31.332
flat angles P-C4'-P energy: -18.792
tors. eta vs tors. theta energy: -38.019
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: 3
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -463.667621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.667621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.667621 (E_RNA)
where:
Base-Base interactions energy: -340.067
where: short stacking energy: -141.201
Base-Backbone interact. energy: -1.951
local terms energy: -121.649685
where:
bonds (distance) C4'-P energy: -25.186
bonds (distance) P-C4' energy: -27.239
flat angles C4'-P-C4' energy: -25.347
flat angles P-C4'-P energy: -19.503
tors. eta vs tors. theta energy: -24.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -403.882723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.882723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.882723 (E_RNA)
where:
Base-Base interactions energy: -260.758
where: short stacking energy: -118.344
Base-Backbone interact. energy: -0.076
local terms energy: -143.048139
where:
bonds (distance) C4'-P energy: -24.621
bonds (distance) P-C4' energy: -35.372
flat angles C4'-P-C4' energy: -33.927
flat angles P-C4'-P energy: -22.263
tors. eta vs tors. theta energy: -26.865
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: 166
Temperature: 1.300000
Total energy: -339.310562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.310562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.310562 (E_RNA)
where:
Base-Base interactions energy: -209.613
where: short stacking energy: -108.676
Base-Backbone interact. energy: -0.250
local terms energy: -129.446823
where:
bonds (distance) C4'-P energy: -25.006
bonds (distance) P-C4' energy: -26.793
flat angles C4'-P-C4' energy: -32.457
flat angles P-C4'-P energy: -17.324
tors. eta vs tors. theta energy: -27.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -327.195276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.195276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.195276 (E_RNA)
where:
Base-Base interactions energy: -210.870
where: short stacking energy: -91.624
Base-Backbone interact. energy: 1.391
local terms energy: -117.716275
where:
bonds (distance) C4'-P energy: -24.025
bonds (distance) P-C4' energy: -28.050
flat angles C4'-P-C4' energy: -29.286
flat angles P-C4'-P energy: -23.709
tors. eta vs tors. theta energy: -12.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -588.920645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.920645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.920645 (E_RNA)
where:
Base-Base interactions energy: -402.417
where: short stacking energy: -183.427
Base-Backbone interact. energy: -0.338
local terms energy: -186.165728
where:
bonds (distance) C4'-P energy: -33.617
bonds (distance) P-C4' energy: -35.570
flat angles C4'-P-C4' energy: -38.603
flat angles P-C4'-P energy: -25.577
tors. eta vs tors. theta energy: -52.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -583.753061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.753061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.753061 (E_RNA)
where:
Base-Base interactions energy: -408.357
where: short stacking energy: -177.276
Base-Backbone interact. energy: -1.212
local terms energy: -174.184810
where:
bonds (distance) C4'-P energy: -32.838
bonds (distance) P-C4' energy: -31.367
flat angles C4'-P-C4' energy: -37.431
flat angles P-C4'-P energy: -23.070
tors. eta vs tors. theta energy: -49.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -546.483400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.483400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.483400 (E_RNA)
where:
Base-Base interactions energy: -381.589
where: short stacking energy: -169.032
Base-Backbone interact. energy: -1.423
local terms energy: -163.471214
where:
bonds (distance) C4'-P energy: -27.102
bonds (distance) P-C4' energy: -28.201
flat angles C4'-P-C4' energy: -37.037
flat angles P-C4'-P energy: -23.227
tors. eta vs tors. theta energy: -47.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -554.617558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.617558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.617558 (E_RNA)
where:
Base-Base interactions energy: -388.184
where: short stacking energy: -168.304
Base-Backbone interact. energy: -0.020
local terms energy: -166.413152
where:
bonds (distance) C4'-P energy: -31.236
bonds (distance) P-C4' energy: -27.094
flat angles C4'-P-C4' energy: -32.209
flat angles P-C4'-P energy: -24.636
tors. eta vs tors. theta energy: -51.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -517.988853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.988853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.988853 (E_RNA)
where:
Base-Base interactions energy: -369.624
where: short stacking energy: -159.170
Base-Backbone interact. energy: 1.317
local terms energy: -149.682110
where:
bonds (distance) C4'-P energy: -29.001
bonds (distance) P-C4' energy: -22.981
flat angles C4'-P-C4' energy: -34.345
flat angles P-C4'-P energy: -18.247
tors. eta vs tors. theta energy: -45.108
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: 1
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -532.086435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.086435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.086435 (E_RNA)
where:
Base-Base interactions energy: -391.500
where: short stacking energy: -154.665
Base-Backbone interact. energy: 0.140
local terms energy: -140.726241
where:
bonds (distance) C4'-P energy: -26.360
bonds (distance) P-C4' energy: -29.676
flat angles C4'-P-C4' energy: -35.927
flat angles P-C4'-P energy: -14.629
tors. eta vs tors. theta energy: -34.135
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: 3
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -444.867146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.867146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.867146 (E_RNA)
where:
Base-Base interactions energy: -291.266
where: short stacking energy: -130.375
Base-Backbone interact. energy: 0.219
local terms energy: -153.820090
where:
bonds (distance) C4'-P energy: -30.761
bonds (distance) P-C4' energy: -34.014
flat angles C4'-P-C4' energy: -31.212
flat angles P-C4'-P energy: -22.370
tors. eta vs tors. theta energy: -35.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -413.158087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.158087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.158087 (E_RNA)
where:
Base-Base interactions energy: -272.633
where: short stacking energy: -126.885
Base-Backbone interact. energy: 0.457
local terms energy: -140.981670
where:
bonds (distance) C4'-P energy: -30.999
bonds (distance) P-C4' energy: -26.747
flat angles C4'-P-C4' energy: -28.672
flat angles P-C4'-P energy: -22.400
tors. eta vs tors. theta energy: -32.163
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: 167
Temperature: 1.300000
Total energy: -327.949902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.949902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.949902 (E_RNA)
where:
Base-Base interactions energy: -220.941
where: short stacking energy: -94.668
Base-Backbone interact. energy: -1.106
local terms energy: -105.902866
where:
bonds (distance) C4'-P energy: -22.004
bonds (distance) P-C4' energy: -32.487
flat angles C4'-P-C4' energy: -19.858
flat angles P-C4'-P energy: -17.168
tors. eta vs tors. theta energy: -14.386
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: 10
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -310.484364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.484364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.484364 (E_RNA)
where:
Base-Base interactions energy: -210.566
where: short stacking energy: -90.966
Base-Backbone interact. energy: 1.825
local terms energy: -101.742958
where:
bonds (distance) C4'-P energy: -18.965
bonds (distance) P-C4' energy: -27.673
flat angles C4'-P-C4' energy: -30.230
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -17.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -606.810235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.810235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.810235 (E_RNA)
where:
Base-Base interactions energy: -415.149
where: short stacking energy: -192.336
Base-Backbone interact. energy: -0.106
local terms energy: -191.555153
where:
bonds (distance) C4'-P energy: -33.953
bonds (distance) P-C4' energy: -34.631
flat angles C4'-P-C4' energy: -40.960
flat angles P-C4'-P energy: -29.647
tors. eta vs tors. theta energy: -52.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -573.726343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.726343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.726343 (E_RNA)
where:
Base-Base interactions energy: -417.186
where: short stacking energy: -167.860
Base-Backbone interact. energy: -0.512
local terms energy: -156.028553
where:
bonds (distance) C4'-P energy: -27.224
bonds (distance) P-C4' energy: -28.845
flat angles C4'-P-C4' energy: -33.967
flat angles P-C4'-P energy: -22.180
tors. eta vs tors. theta energy: -43.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -538.250017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.250017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.250017 (E_RNA)
where:
Base-Base interactions energy: -370.156
where: short stacking energy: -159.309
Base-Backbone interact. energy: -0.167
local terms energy: -167.927322
where:
bonds (distance) C4'-P energy: -27.713
bonds (distance) P-C4' energy: -36.266
flat angles C4'-P-C4' energy: -36.386
flat angles P-C4'-P energy: -20.487
tors. eta vs tors. theta energy: -47.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -532.961694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.961694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.961694 (E_RNA)
where:
Base-Base interactions energy: -368.832
where: short stacking energy: -161.316
Base-Backbone interact. energy: -0.775
local terms energy: -163.355465
where:
bonds (distance) C4'-P energy: -31.626
bonds (distance) P-C4' energy: -28.205
flat angles C4'-P-C4' energy: -34.281
flat angles P-C4'-P energy: -25.074
tors. eta vs tors. theta energy: -44.169
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: 1
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -525.763737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.763737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.763737 (E_RNA)
where:
Base-Base interactions energy: -387.673
where: short stacking energy: -153.419
Base-Backbone interact. energy: -0.056
local terms energy: -138.035060
where:
bonds (distance) C4'-P energy: -25.305
bonds (distance) P-C4' energy: -29.244
flat angles C4'-P-C4' energy: -32.611
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -40.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -502.593898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.593898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.593898 (E_RNA)
where:
Base-Base interactions energy: -360.189
where: short stacking energy: -156.962
Base-Backbone interact. energy: -0.183
local terms energy: -142.221647
where:
bonds (distance) C4'-P energy: -22.385
bonds (distance) P-C4' energy: -23.360
flat angles C4'-P-C4' energy: -35.503
flat angles P-C4'-P energy: -21.513
tors. eta vs tors. theta energy: -39.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -443.250098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.250098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.250098 (E_RNA)
where:
Base-Base interactions energy: -316.369
where: short stacking energy: -131.077
Base-Backbone interact. energy: -0.897
local terms energy: -125.984178
where:
bonds (distance) C4'-P energy: -23.026
bonds (distance) P-C4' energy: -30.084
flat angles C4'-P-C4' energy: -28.195
flat angles P-C4'-P energy: -14.413
tors. eta vs tors. theta energy: -30.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -391.294148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.294148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.294148 (E_RNA)
where:
Base-Base interactions energy: -255.340
where: short stacking energy: -125.866
Base-Backbone interact. energy: 1.990
local terms energy: -137.943958
where:
bonds (distance) C4'-P energy: -24.912
bonds (distance) P-C4' energy: -32.105
flat angles C4'-P-C4' energy: -28.512
flat angles P-C4'-P energy: -23.113
tors. eta vs tors. theta energy: -29.302
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: 10
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -341.534522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.534522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.534522 (E_RNA)
where:
Base-Base interactions energy: -222.243
where: short stacking energy: -95.943
Base-Backbone interact. energy: 0.060
local terms energy: -119.351777
where:
bonds (distance) C4'-P energy: -28.701
bonds (distance) P-C4' energy: -28.116
flat angles C4'-P-C4' energy: -26.031
flat angles P-C4'-P energy: -14.283
tors. eta vs tors. theta energy: -22.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -327.115397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.115397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.115397 (E_RNA)
where:
Base-Base interactions energy: -212.809
where: short stacking energy: -110.479
Base-Backbone interact. energy: -0.278
local terms energy: -114.028341
where:
bonds (distance) C4'-P energy: -18.497
bonds (distance) P-C4' energy: -24.725
flat angles C4'-P-C4' energy: -30.702
flat angles P-C4'-P energy: -20.131
tors. eta vs tors. theta energy: -19.973
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: 2
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -590.934043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.934043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.934043 (E_RNA)
where:
Base-Base interactions energy: -410.505
where: short stacking energy: -188.280
Base-Backbone interact. energy: -0.729
local terms energy: -179.699985
where:
bonds (distance) C4'-P energy: -29.067
bonds (distance) P-C4' energy: -33.324
flat angles C4'-P-C4' energy: -39.094
flat angles P-C4'-P energy: -27.726
tors. eta vs tors. theta energy: -50.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -571.557123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.557123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.557123 (E_RNA)
where:
Base-Base interactions energy: -399.622
where: short stacking energy: -162.215
Base-Backbone interact. energy: -0.116
local terms energy: -171.819045
where:
bonds (distance) C4'-P energy: -28.221
bonds (distance) P-C4' energy: -34.606
flat angles C4'-P-C4' energy: -34.756
flat angles P-C4'-P energy: -28.119
tors. eta vs tors. theta energy: -46.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -535.511802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.511802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.511802 (E_RNA)
where:
Base-Base interactions energy: -367.207
where: short stacking energy: -173.675
Base-Backbone interact. energy: -0.101
local terms energy: -168.203286
where:
bonds (distance) C4'-P energy: -29.007
bonds (distance) P-C4' energy: -27.568
flat angles C4'-P-C4' energy: -35.586
flat angles P-C4'-P energy: -25.920
tors. eta vs tors. theta energy: -50.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -547.761463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.761463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.761463 (E_RNA)
where:
Base-Base interactions energy: -376.132
where: short stacking energy: -168.747
Base-Backbone interact. energy: 2.572
local terms energy: -174.201481
where:
bonds (distance) C4'-P energy: -34.378
bonds (distance) P-C4' energy: -30.745
flat angles C4'-P-C4' energy: -33.409
flat angles P-C4'-P energy: -26.914
tors. eta vs tors. theta energy: -48.755
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: 1
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -516.346983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.346983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.346983 (E_RNA)
where:
Base-Base interactions energy: -366.768
where: short stacking energy: -158.621
Base-Backbone interact. energy: -0.145
local terms energy: -149.434368
where:
bonds (distance) C4'-P energy: -29.373
bonds (distance) P-C4' energy: -28.717
flat angles C4'-P-C4' energy: -27.083
flat angles P-C4'-P energy: -22.960
tors. eta vs tors. theta energy: -41.301
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: 6, replica: 5
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -496.573108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.573108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.573108 (E_RNA)
where:
Base-Base interactions energy: -337.688
where: short stacking energy: -156.609
Base-Backbone interact. energy: -0.041
local terms energy: -158.843712
where:
bonds (distance) C4'-P energy: -31.609
bonds (distance) P-C4' energy: -28.151
flat angles C4'-P-C4' energy: -36.125
flat angles P-C4'-P energy: -23.741
tors. eta vs tors. theta energy: -39.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -468.804304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.804304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.804304 (E_RNA)
where:
Base-Base interactions energy: -328.522
where: short stacking energy: -131.651
Base-Backbone interact. energy: -1.349
local terms energy: -138.932943
where:
bonds (distance) C4'-P energy: -31.272
bonds (distance) P-C4' energy: -26.601
flat angles C4'-P-C4' energy: -30.770
flat angles P-C4'-P energy: -18.798
tors. eta vs tors. theta energy: -31.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -384.008234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.008234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.008234 (E_RNA)
where:
Base-Base interactions energy: -263.629
where: short stacking energy: -117.034
Base-Backbone interact. energy: 1.555
local terms energy: -121.934536
where:
bonds (distance) C4'-P energy: -27.493
bonds (distance) P-C4' energy: -27.547
flat angles C4'-P-C4' energy: -23.931
flat angles P-C4'-P energy: -14.490
tors. eta vs tors. theta energy: -28.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -384.176369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.176369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.176369 (E_RNA)
where:
Base-Base interactions energy: -263.207
where: short stacking energy: -120.494
Base-Backbone interact. energy: -0.593
local terms energy: -120.376082
where:
bonds (distance) C4'-P energy: -20.433
bonds (distance) P-C4' energy: -28.081
flat angles C4'-P-C4' energy: -24.378
flat angles P-C4'-P energy: -17.369
tors. eta vs tors. theta energy: -30.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -327.699751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.699751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.699751 (E_RNA)
where:
Base-Base interactions energy: -209.753
where: short stacking energy: -114.134
Base-Backbone interact. energy: 0.481
local terms energy: -118.427983
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -25.185
flat angles C4'-P-C4' energy: -31.011
flat angles P-C4'-P energy: -23.048
tors. eta vs tors. theta energy: -26.211
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: 1, replica: 2
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -584.019879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.019879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.019879 (E_RNA)
where:
Base-Base interactions energy: -409.331
where: short stacking energy: -183.715
Base-Backbone interact. energy: -0.172
local terms energy: -174.517732
where:
bonds (distance) C4'-P energy: -32.074
bonds (distance) P-C4' energy: -26.484
flat angles C4'-P-C4' energy: -37.068
flat angles P-C4'-P energy: -26.813
tors. eta vs tors. theta energy: -52.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -581.584847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.584847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.584847 (E_RNA)
where:
Base-Base interactions energy: -405.804
where: short stacking energy: -171.783
Base-Backbone interact. energy: -0.489
local terms energy: -175.292300
where:
bonds (distance) C4'-P energy: -28.472
bonds (distance) P-C4' energy: -35.968
flat angles C4'-P-C4' energy: -30.305
flat angles P-C4'-P energy: -29.096
tors. eta vs tors. theta energy: -51.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -545.832267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.832267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.832267 (E_RNA)
where:
Base-Base interactions energy: -379.700
where: short stacking energy: -164.237
Base-Backbone interact. energy: -1.183
local terms energy: -164.949238
where:
bonds (distance) C4'-P energy: -35.466
bonds (distance) P-C4' energy: -30.967
flat angles C4'-P-C4' energy: -31.067
flat angles P-C4'-P energy: -24.106
tors. eta vs tors. theta energy: -43.343
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: 6
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -533.749258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.749258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.749258 (E_RNA)
where:
Base-Base interactions energy: -377.009
where: short stacking energy: -174.280
Base-Backbone interact. energy: -0.233
local terms energy: -156.507826
where:
bonds (distance) C4'-P energy: -28.678
bonds (distance) P-C4' energy: -28.480
flat angles C4'-P-C4' energy: -33.114
flat angles P-C4'-P energy: -21.075
tors. eta vs tors. theta energy: -45.160
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: 1
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -505.155056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.155056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.155056 (E_RNA)
where:
Base-Base interactions energy: -339.453
where: short stacking energy: -150.025
Base-Backbone interact. energy: -0.973
local terms energy: -164.729198
where:
bonds (distance) C4'-P energy: -30.333
bonds (distance) P-C4' energy: -39.759
flat angles C4'-P-C4' energy: -28.783
flat angles P-C4'-P energy: -24.325
tors. eta vs tors. theta energy: -41.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -511.467755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.467755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.467755 (E_RNA)
where:
Base-Base interactions energy: -360.375
where: short stacking energy: -161.007
Base-Backbone interact. energy: -0.327
local terms energy: -150.765886
where:
bonds (distance) C4'-P energy: -30.100
bonds (distance) P-C4' energy: -28.572
flat angles C4'-P-C4' energy: -33.440
flat angles P-C4'-P energy: -16.946
tors. eta vs tors. theta energy: -41.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -465.867862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.867862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.867862 (E_RNA)
where:
Base-Base interactions energy: -325.924
where: short stacking energy: -129.675
Base-Backbone interact. energy: -1.900
local terms energy: -138.043385
where:
bonds (distance) C4'-P energy: -28.102
bonds (distance) P-C4' energy: -27.836
flat angles C4'-P-C4' energy: -29.623
flat angles P-C4'-P energy: -20.002
tors. eta vs tors. theta energy: -32.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -380.261261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.261261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.261261 (E_RNA)
where:
Base-Base interactions energy: -255.541
where: short stacking energy: -112.837
Base-Backbone interact. energy: -1.182
local terms energy: -123.537681
where:
bonds (distance) C4'-P energy: -21.217
bonds (distance) P-C4' energy: -21.099
flat angles C4'-P-C4' energy: -33.843
flat angles P-C4'-P energy: -18.283
tors. eta vs tors. theta energy: -29.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -392.605660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.605660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.605660 (E_RNA)
where:
Base-Base interactions energy: -266.617
where: short stacking energy: -126.710
Base-Backbone interact. energy: -0.719
local terms energy: -125.269064
where:
bonds (distance) C4'-P energy: -23.875
bonds (distance) P-C4' energy: -29.465
flat angles C4'-P-C4' energy: -23.201
flat angles P-C4'-P energy: -21.494
tors. eta vs tors. theta energy: -27.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -312.557566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.557566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.557566 (E_RNA)
where:
Base-Base interactions energy: -212.144
where: short stacking energy: -100.925
Base-Backbone interact. energy: -0.816
local terms energy: -99.598282
where:
bonds (distance) C4'-P energy: -22.584
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -32.255
flat angles P-C4'-P energy: -16.055
tors. eta vs tors. theta energy: -15.816
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: 171
Temperature: 0.900000
Total energy: -584.901137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.901137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.901137 (E_RNA)
where:
Base-Base interactions energy: -403.041
where: short stacking energy: -172.095
Base-Backbone interact. energy: -1.155
local terms energy: -180.705684
where:
bonds (distance) C4'-P energy: -33.311
bonds (distance) P-C4' energy: -34.815
flat angles C4'-P-C4' energy: -38.758
flat angles P-C4'-P energy: -23.380
tors. eta vs tors. theta energy: -50.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -559.741946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.741946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.741946 (E_RNA)
where:
Base-Base interactions energy: -409.597
where: short stacking energy: -165.075
Base-Backbone interact. energy: -0.877
local terms energy: -149.268154
where:
bonds (distance) C4'-P energy: -28.254
bonds (distance) P-C4' energy: -28.131
flat angles C4'-P-C4' energy: -25.525
flat angles P-C4'-P energy: -23.609
tors. eta vs tors. theta energy: -43.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -544.447726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.447726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.447726 (E_RNA)
where:
Base-Base interactions energy: -376.997
where: short stacking energy: -171.049
Base-Backbone interact. energy: -1.842
local terms energy: -165.609118
where:
bonds (distance) C4'-P energy: -32.316
bonds (distance) P-C4' energy: -33.881
flat angles C4'-P-C4' energy: -34.669
flat angles P-C4'-P energy: -22.129
tors. eta vs tors. theta energy: -42.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -495.993575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.993575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.993575 (E_RNA)
where:
Base-Base interactions energy: -327.843
where: short stacking energy: -142.447
Base-Backbone interact. energy: -0.972
local terms energy: -167.178496
where:
bonds (distance) C4'-P energy: -29.052
bonds (distance) P-C4' energy: -35.295
flat angles C4'-P-C4' energy: -33.064
flat angles P-C4'-P energy: -26.358
tors. eta vs tors. theta energy: -43.410
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: 5, replica: 1
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -517.485067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.485067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.485067 (E_RNA)
where:
Base-Base interactions energy: -367.521
where: short stacking energy: -161.434
Base-Backbone interact. energy: -0.737
local terms energy: -149.227463
where:
bonds (distance) C4'-P energy: -25.039
bonds (distance) P-C4' energy: -35.025
flat angles C4'-P-C4' energy: -33.118
flat angles P-C4'-P energy: -13.452
tors. eta vs tors. theta energy: -42.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -492.610065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.610065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.610065 (E_RNA)
where:
Base-Base interactions energy: -348.222
where: short stacking energy: -156.469
Base-Backbone interact. energy: 0.375
local terms energy: -144.763782
where:
bonds (distance) C4'-P energy: -21.396
bonds (distance) P-C4' energy: -28.173
flat angles C4'-P-C4' energy: -33.573
flat angles P-C4'-P energy: -22.274
tors. eta vs tors. theta energy: -39.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -441.642721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.642721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.642721 (E_RNA)
where:
Base-Base interactions energy: -302.085
where: short stacking energy: -131.785
Base-Backbone interact. energy: -0.565
local terms energy: -138.992499
where:
bonds (distance) C4'-P energy: -29.149
bonds (distance) P-C4' energy: -29.682
flat angles C4'-P-C4' energy: -29.637
flat angles P-C4'-P energy: -15.818
tors. eta vs tors. theta energy: -34.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -371.712878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.712878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.712878 (E_RNA)
where:
Base-Base interactions energy: -247.665
where: short stacking energy: -115.167
Base-Backbone interact. energy: -1.667
local terms energy: -122.380429
where:
bonds (distance) C4'-P energy: -21.493
bonds (distance) P-C4' energy: -30.129
flat angles C4'-P-C4' energy: -29.203
flat angles P-C4'-P energy: -19.271
tors. eta vs tors. theta energy: -22.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -339.859734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.859734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.859734 (E_RNA)
where:
Base-Base interactions energy: -221.081
where: short stacking energy: -106.347
Base-Backbone interact. energy: 2.198
local terms energy: -120.976740
where:
bonds (distance) C4'-P energy: -23.458
bonds (distance) P-C4' energy: -29.719
flat angles C4'-P-C4' energy: -24.931
flat angles P-C4'-P energy: -21.555
tors. eta vs tors. theta energy: -21.314
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: 171
Temperature: 1.350000
Total energy: -267.983704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.983704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.983704 (E_RNA)
where:
Base-Base interactions energy: -155.036
where: short stacking energy: -83.048
Base-Backbone interact. energy: -0.723
local terms energy: -112.224524
where:
bonds (distance) C4'-P energy: -28.794
bonds (distance) P-C4' energy: -21.340
flat angles C4'-P-C4' energy: -28.194
flat angles P-C4'-P energy: -20.127
tors. eta vs tors. theta energy: -13.769
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: 2
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -598.715739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.715739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.715739 (E_RNA)
where:
Base-Base interactions energy: -409.753
where: short stacking energy: -175.482
Base-Backbone interact. energy: -1.470
local terms energy: -187.492952
where:
bonds (distance) C4'-P energy: -35.343
bonds (distance) P-C4' energy: -36.475
flat angles C4'-P-C4' energy: -37.953
flat angles P-C4'-P energy: -25.364
tors. eta vs tors. theta energy: -52.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -555.696656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.696656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.696656 (E_RNA)
where:
Base-Base interactions energy: -393.032
where: short stacking energy: -165.914
Base-Backbone interact. energy: -1.345
local terms energy: -161.319064
where:
bonds (distance) C4'-P energy: -24.864
bonds (distance) P-C4' energy: -32.371
flat angles C4'-P-C4' energy: -34.445
flat angles P-C4'-P energy: -24.515
tors. eta vs tors. theta energy: -45.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -539.886302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.886302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.886302 (E_RNA)
where:
Base-Base interactions energy: -384.643
where: short stacking energy: -162.787
Base-Backbone interact. energy: -1.266
local terms energy: -153.976594
where:
bonds (distance) C4'-P energy: -27.453
bonds (distance) P-C4' energy: -27.299
flat angles C4'-P-C4' energy: -34.053
flat angles P-C4'-P energy: -24.075
tors. eta vs tors. theta energy: -41.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -519.808060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.808060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.808060 (E_RNA)
where:
Base-Base interactions energy: -362.528
where: short stacking energy: -178.669
Base-Backbone interact. energy: -0.048
local terms energy: -157.232498
where:
bonds (distance) C4'-P energy: -25.453
bonds (distance) P-C4' energy: -29.056
flat angles C4'-P-C4' energy: -29.640
flat angles P-C4'-P energy: -23.738
tors. eta vs tors. theta energy: -49.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -500.092267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.092267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.092267 (E_RNA)
where:
Base-Base interactions energy: -338.732
where: short stacking energy: -152.623
Base-Backbone interact. energy: -2.114
local terms energy: -159.246267
where:
bonds (distance) C4'-P energy: -29.527
bonds (distance) P-C4' energy: -24.534
flat angles C4'-P-C4' energy: -36.072
flat angles P-C4'-P energy: -28.949
tors. eta vs tors. theta energy: -40.165
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: 1
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -473.865194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.865194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.865194 (E_RNA)
where:
Base-Base interactions energy: -336.541
where: short stacking energy: -143.544
Base-Backbone interact. energy: 1.122
local terms energy: -138.446130
where:
bonds (distance) C4'-P energy: -17.926
bonds (distance) P-C4' energy: -33.280
flat angles C4'-P-C4' energy: -36.928
flat angles P-C4'-P energy: -19.369
tors. eta vs tors. theta energy: -30.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -445.757226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.757226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.757226 (E_RNA)
where:
Base-Base interactions energy: -304.022
where: short stacking energy: -131.393
Base-Backbone interact. energy: -0.210
local terms energy: -141.525167
where:
bonds (distance) C4'-P energy: -28.384
bonds (distance) P-C4' energy: -28.061
flat angles C4'-P-C4' energy: -32.909
flat angles P-C4'-P energy: -19.315
tors. eta vs tors. theta energy: -32.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -392.272860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.272860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.272860 (E_RNA)
where:
Base-Base interactions energy: -265.882
where: short stacking energy: -121.117
Base-Backbone interact. energy: -0.339
local terms energy: -126.051335
where:
bonds (distance) C4'-P energy: -20.955
bonds (distance) P-C4' energy: -19.581
flat angles C4'-P-C4' energy: -36.775
flat angles P-C4'-P energy: -27.244
tors. eta vs tors. theta energy: -21.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -351.032655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.032655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.032655 (E_RNA)
where:
Base-Base interactions energy: -233.596
where: short stacking energy: -99.480
Base-Backbone interact. energy: -0.949
local terms energy: -116.487781
where:
bonds (distance) C4'-P energy: -29.203
bonds (distance) P-C4' energy: -30.007
flat angles C4'-P-C4' energy: -32.434
flat angles P-C4'-P energy: -4.681
tors. eta vs tors. theta energy: -20.163
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: 9
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -259.712815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.712815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.712815 (E_RNA)
where:
Base-Base interactions energy: -148.334
where: short stacking energy: -73.311
Base-Backbone interact. energy: 0.658
local terms energy: -112.037304
where:
bonds (distance) C4'-P energy: -23.091
bonds (distance) P-C4' energy: -28.915
flat angles C4'-P-C4' energy: -31.172
flat angles P-C4'-P energy: -24.548
tors. eta vs tors. theta energy: -4.311
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: 2
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -596.114858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.114858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.114858 (E_RNA)
where:
Base-Base interactions energy: -409.002
where: short stacking energy: -175.825
Base-Backbone interact. energy: -0.219
local terms energy: -186.894336
where:
bonds (distance) C4'-P energy: -32.089
bonds (distance) P-C4' energy: -31.868
flat angles C4'-P-C4' energy: -38.026
flat angles P-C4'-P energy: -29.662
tors. eta vs tors. theta energy: -55.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -564.418106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.418106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.418106 (E_RNA)
where:
Base-Base interactions energy: -393.755
where: short stacking energy: -169.744
Base-Backbone interact. energy: -0.296
local terms energy: -170.367103
where:
bonds (distance) C4'-P energy: -37.454
bonds (distance) P-C4' energy: -31.783
flat angles C4'-P-C4' energy: -33.387
flat angles P-C4'-P energy: -22.662
tors. eta vs tors. theta energy: -45.081
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: 8
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -542.551588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.551588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.551588 (E_RNA)
where:
Base-Base interactions energy: -374.814
where: short stacking energy: -160.942
Base-Backbone interact. energy: -1.754
local terms energy: -165.983987
where:
bonds (distance) C4'-P energy: -32.560
bonds (distance) P-C4' energy: -29.327
flat angles C4'-P-C4' energy: -35.648
flat angles P-C4'-P energy: -24.113
tors. eta vs tors. theta energy: -44.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -512.616881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.616881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.616881 (E_RNA)
where:
Base-Base interactions energy: -356.407
where: short stacking energy: -163.754
Base-Backbone interact. energy: -0.288
local terms energy: -155.921081
where:
bonds (distance) C4'-P energy: -30.867
bonds (distance) P-C4' energy: -27.209
flat angles C4'-P-C4' energy: -33.292
flat angles P-C4'-P energy: -20.309
tors. eta vs tors. theta energy: -44.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -520.195390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.195390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.195390 (E_RNA)
where:
Base-Base interactions energy: -362.028
where: short stacking energy: -156.472
Base-Backbone interact. energy: -0.590
local terms energy: -157.577654
where:
bonds (distance) C4'-P energy: -26.123
bonds (distance) P-C4' energy: -31.549
flat angles C4'-P-C4' energy: -29.919
flat angles P-C4'-P energy: -24.794
tors. eta vs tors. theta energy: -45.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -460.419093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.419093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.419093 (E_RNA)
where:
Base-Base interactions energy: -312.634
where: short stacking energy: -133.494
Base-Backbone interact. energy: 0.233
local terms energy: -148.018381
where:
bonds (distance) C4'-P energy: -27.826
bonds (distance) P-C4' energy: -31.774
flat angles C4'-P-C4' energy: -34.504
flat angles P-C4'-P energy: -22.452
tors. eta vs tors. theta energy: -31.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -486.527150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.527150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.527150 (E_RNA)
where:
Base-Base interactions energy: -342.287
where: short stacking energy: -146.581
Base-Backbone interact. energy: -0.284
local terms energy: -143.956611
where:
bonds (distance) C4'-P energy: -21.105
bonds (distance) P-C4' energy: -36.890
flat angles C4'-P-C4' energy: -33.246
flat angles P-C4'-P energy: -15.349
tors. eta vs tors. theta energy: -37.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -349.785251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.785251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.785251 (E_RNA)
where:
Base-Base interactions energy: -223.164
where: short stacking energy: -91.613
Base-Backbone interact. energy: -1.198
local terms energy: -125.423584
where:
bonds (distance) C4'-P energy: -29.727
bonds (distance) P-C4' energy: -36.872
flat angles C4'-P-C4' energy: -29.229
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -16.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -377.896955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.896955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.896955 (E_RNA)
where:
Base-Base interactions energy: -252.223
where: short stacking energy: -110.175
Base-Backbone interact. energy: -2.149
local terms energy: -123.524616
where:
bonds (distance) C4'-P energy: -33.253
bonds (distance) P-C4' energy: -31.117
flat angles C4'-P-C4' energy: -23.741
flat angles P-C4'-P energy: -18.571
tors. eta vs tors. theta energy: -16.844
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: 173
Temperature: 1.350000
Total energy: -274.330362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.330362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.330362 (E_RNA)
where:
Base-Base interactions energy: -158.159
where: short stacking energy: -79.323
Base-Backbone interact. energy: -0.566
local terms energy: -115.604982
where:
bonds (distance) C4'-P energy: -24.570
bonds (distance) P-C4' energy: -24.900
flat angles C4'-P-C4' energy: -31.652
flat angles P-C4'-P energy: -14.152
tors. eta vs tors. theta energy: -20.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -593.698904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.698904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.698904 (E_RNA)
where:
Base-Base interactions energy: -416.347
where: short stacking energy: -184.895
Base-Backbone interact. energy: 0.154
local terms energy: -177.506455
where:
bonds (distance) C4'-P energy: -29.179
bonds (distance) P-C4' energy: -29.919
flat angles C4'-P-C4' energy: -37.088
flat angles P-C4'-P energy: -27.469
tors. eta vs tors. theta energy: -53.851
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: 2, replica: 7
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -573.785074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.785074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.785074 (E_RNA)
where:
Base-Base interactions energy: -400.374
where: short stacking energy: -177.590
Base-Backbone interact. energy: -0.897
local terms energy: -172.513868
where:
bonds (distance) C4'-P energy: -29.606
bonds (distance) P-C4' energy: -34.500
flat angles C4'-P-C4' energy: -39.139
flat angles P-C4'-P energy: -25.303
tors. eta vs tors. theta energy: -43.965
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: 8
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -549.641383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.641383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.641383 (E_RNA)
where:
Base-Base interactions energy: -382.862
where: short stacking energy: -164.050
Base-Backbone interact. energy: -1.970
local terms energy: -164.809151
where:
bonds (distance) C4'-P energy: -25.724
bonds (distance) P-C4' energy: -34.663
flat angles C4'-P-C4' energy: -38.839
flat angles P-C4'-P energy: -20.709
tors. eta vs tors. theta energy: -44.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -523.616775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.616775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.616775 (E_RNA)
where:
Base-Base interactions energy: -362.295
where: short stacking energy: -160.311
Base-Backbone interact. energy: -0.575
local terms energy: -160.747117
where:
bonds (distance) C4'-P energy: -29.842
bonds (distance) P-C4' energy: -33.294
flat angles C4'-P-C4' energy: -36.888
flat angles P-C4'-P energy: -22.523
tors. eta vs tors. theta energy: -38.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -512.359038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.359038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.359038 (E_RNA)
where:
Base-Base interactions energy: -359.874
where: short stacking energy: -158.494
Base-Backbone interact. energy: -0.241
local terms energy: -152.243707
where:
bonds (distance) C4'-P energy: -31.484
bonds (distance) P-C4' energy: -26.583
flat angles C4'-P-C4' energy: -29.353
flat angles P-C4'-P energy: -20.384
tors. eta vs tors. theta energy: -44.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -477.262692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.262692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.262692 (E_RNA)
where:
Base-Base interactions energy: -331.686
where: short stacking energy: -133.092
Base-Backbone interact. energy: -0.389
local terms energy: -145.187527
where:
bonds (distance) C4'-P energy: -28.785
bonds (distance) P-C4' energy: -28.490
flat angles C4'-P-C4' energy: -32.980
flat angles P-C4'-P energy: -18.157
tors. eta vs tors. theta energy: -36.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -495.760136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.760136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.760136 (E_RNA)
where:
Base-Base interactions energy: -353.409
where: short stacking energy: -147.401
Base-Backbone interact. energy: -0.235
local terms energy: -142.115772
where:
bonds (distance) C4'-P energy: -24.670
bonds (distance) P-C4' energy: -27.330
flat angles C4'-P-C4' energy: -27.858
flat angles P-C4'-P energy: -19.506
tors. eta vs tors. theta energy: -42.753
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: 10
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -359.325700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.325700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.325700 (E_RNA)
where:
Base-Base interactions energy: -245.811
where: short stacking energy: -117.458
Base-Backbone interact. energy: 0.375
local terms energy: -113.889604
where:
bonds (distance) C4'-P energy: -21.582
bonds (distance) P-C4' energy: -19.739
flat angles C4'-P-C4' energy: -32.044
flat angles P-C4'-P energy: -16.126
tors. eta vs tors. theta energy: -24.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -365.790531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.790531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.790531 (E_RNA)
where:
Base-Base interactions energy: -238.540
where: short stacking energy: -105.509
Base-Backbone interact. energy: -0.170
local terms energy: -127.080049
where:
bonds (distance) C4'-P energy: -31.685
bonds (distance) P-C4' energy: -25.705
flat angles C4'-P-C4' energy: -30.515
flat angles P-C4'-P energy: -20.815
tors. eta vs tors. theta energy: -18.360
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: 10, replica: 9
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -261.283577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.283577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.283577 (E_RNA)
where:
Base-Base interactions energy: -157.613
where: short stacking energy: -81.251
Base-Backbone interact. energy: -0.497
local terms energy: -103.173814
where:
bonds (distance) C4'-P energy: -27.937
bonds (distance) P-C4' energy: -26.630
flat angles C4'-P-C4' energy: -28.229
flat angles P-C4'-P energy: -13.761
tors. eta vs tors. theta energy: -6.618
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: 1, replica: 2
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -590.182899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.182899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.182899 (E_RNA)
where:
Base-Base interactions energy: -406.737
where: short stacking energy: -175.778
Base-Backbone interact. energy: 0.568
local terms energy: -184.014333
where:
bonds (distance) C4'-P energy: -32.285
bonds (distance) P-C4' energy: -31.215
flat angles C4'-P-C4' energy: -39.792
flat angles P-C4'-P energy: -27.150
tors. eta vs tors. theta energy: -53.573
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: 8
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -557.060176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.060176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.060176 (E_RNA)
where:
Base-Base interactions energy: -389.674
where: short stacking energy: -162.063
Base-Backbone interact. energy: -0.758
local terms energy: -166.627873
where:
bonds (distance) C4'-P energy: -26.826
bonds (distance) P-C4' energy: -33.268
flat angles C4'-P-C4' energy: -36.214
flat angles P-C4'-P energy: -24.107
tors. eta vs tors. theta energy: -46.213
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: 7
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -540.322617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.322617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.322617 (E_RNA)
where:
Base-Base interactions energy: -377.843
where: short stacking energy: -156.951
Base-Backbone interact. energy: 1.161
local terms energy: -163.640946
where:
bonds (distance) C4'-P energy: -31.137
bonds (distance) P-C4' energy: -27.688
flat angles C4'-P-C4' energy: -31.528
flat angles P-C4'-P energy: -26.189
tors. eta vs tors. theta energy: -47.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -531.447887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.447887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.447887 (E_RNA)
where:
Base-Base interactions energy: -377.911
where: short stacking energy: -154.804
Base-Backbone interact. energy: -0.221
local terms energy: -153.315737
where:
bonds (distance) C4'-P energy: -24.164
bonds (distance) P-C4' energy: -31.003
flat angles C4'-P-C4' energy: -33.662
flat angles P-C4'-P energy: -23.345
tors. eta vs tors. theta energy: -41.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -517.671716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.671716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.671716 (E_RNA)
where:
Base-Base interactions energy: -355.341
where: short stacking energy: -164.922
Base-Backbone interact. energy: 0.493
local terms energy: -162.823481
where:
bonds (distance) C4'-P energy: -29.781
bonds (distance) P-C4' energy: -24.802
flat angles C4'-P-C4' energy: -37.015
flat angles P-C4'-P energy: -24.635
tors. eta vs tors. theta energy: -46.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -534.814671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.814671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.814671 (E_RNA)
where:
Base-Base interactions energy: -387.917
where: short stacking energy: -166.667
Base-Backbone interact. energy: -0.237
local terms energy: -146.660504
where:
bonds (distance) C4'-P energy: -28.740
bonds (distance) P-C4' energy: -29.503
flat angles C4'-P-C4' energy: -29.467
flat angles P-C4'-P energy: -14.661
tors. eta vs tors. theta energy: -44.290
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: 3
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -462.703093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.703093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.703093 (E_RNA)
where:
Base-Base interactions energy: -309.765
where: short stacking energy: -146.536
Base-Backbone interact. energy: -0.310
local terms energy: -152.627598
where:
bonds (distance) C4'-P energy: -26.197
bonds (distance) P-C4' energy: -30.441
flat angles C4'-P-C4' energy: -31.857
flat angles P-C4'-P energy: -24.718
tors. eta vs tors. theta energy: -39.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -384.946695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.946695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.946695 (E_RNA)
where:
Base-Base interactions energy: -268.677
where: short stacking energy: -118.030
Base-Backbone interact. energy: 0.557
local terms energy: -116.826130
where:
bonds (distance) C4'-P energy: -25.433
bonds (distance) P-C4' energy: -21.804
flat angles C4'-P-C4' energy: -21.979
flat angles P-C4'-P energy: -21.593
tors. eta vs tors. theta energy: -26.018
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: 10
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -358.660947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.660947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.660947 (E_RNA)
where:
Base-Base interactions energy: -257.467
where: short stacking energy: -95.695
Base-Backbone interact. energy: -0.804
local terms energy: -100.390189
where:
bonds (distance) C4'-P energy: -19.453
bonds (distance) P-C4' energy: -21.400
flat angles C4'-P-C4' energy: -27.498
flat angles P-C4'-P energy: -12.005
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: 10, replica: 9
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -274.394083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.394083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.394083 (E_RNA)
where:
Base-Base interactions energy: -171.122
where: short stacking energy: -78.868
Base-Backbone interact. energy: -1.035
local terms energy: -102.237003
where:
bonds (distance) C4'-P energy: -25.444
bonds (distance) P-C4' energy: -23.438
flat angles C4'-P-C4' energy: -26.494
flat angles P-C4'-P energy: -13.980
tors. eta vs tors. theta energy: -12.882
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: 2
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -586.715486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.715486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.715486 (E_RNA)
where:
Base-Base interactions energy: -408.192
where: short stacking energy: -179.089
Base-Backbone interact. energy: -0.672
local terms energy: -177.851540
where:
bonds (distance) C4'-P energy: -33.259
bonds (distance) P-C4' energy: -29.087
flat angles C4'-P-C4' energy: -37.009
flat angles P-C4'-P energy: -24.980
tors. eta vs tors. theta energy: -53.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -553.825206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.825206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.825206 (E_RNA)
where:
Base-Base interactions energy: -388.323
where: short stacking energy: -167.086
Base-Backbone interact. energy: -0.414
local terms energy: -165.088367
where:
bonds (distance) C4'-P energy: -27.373
bonds (distance) P-C4' energy: -31.044
flat angles C4'-P-C4' energy: -34.512
flat angles P-C4'-P energy: -27.196
tors. eta vs tors. theta energy: -44.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -540.384215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.384215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.384215 (E_RNA)
where:
Base-Base interactions energy: -373.965
where: short stacking energy: -169.502
Base-Backbone interact. energy: 0.696
local terms energy: -167.114576
where:
bonds (distance) C4'-P energy: -28.468
bonds (distance) P-C4' energy: -32.446
flat angles C4'-P-C4' energy: -33.177
flat angles P-C4'-P energy: -23.958
tors. eta vs tors. theta energy: -49.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -537.805781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.805781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.805781 (E_RNA)
where:
Base-Base interactions energy: -368.684
where: short stacking energy: -152.040
Base-Backbone interact. energy: -0.150
local terms energy: -168.972258
where:
bonds (distance) C4'-P energy: -31.138
bonds (distance) P-C4' energy: -36.028
flat angles C4'-P-C4' energy: -34.856
flat angles P-C4'-P energy: -23.098
tors. eta vs tors. theta energy: -43.852
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: 6
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -506.167862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.167862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.167862 (E_RNA)
where:
Base-Base interactions energy: -350.958
where: short stacking energy: -161.232
Base-Backbone interact. energy: -0.430
local terms energy: -154.779298
where:
bonds (distance) C4'-P energy: -29.464
bonds (distance) P-C4' energy: -30.544
flat angles C4'-P-C4' energy: -29.586
flat angles P-C4'-P energy: -23.867
tors. eta vs tors. theta energy: -41.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -532.333299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.333299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.333299 (E_RNA)
where:
Base-Base interactions energy: -371.615
where: short stacking energy: -156.051
Base-Backbone interact. energy: -0.739
local terms energy: -159.979227
where:
bonds (distance) C4'-P energy: -27.770
bonds (distance) P-C4' energy: -32.137
flat angles C4'-P-C4' energy: -30.024
flat angles P-C4'-P energy: -25.736
tors. eta vs tors. theta energy: -44.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -437.161898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.161898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.161898 (E_RNA)
where:
Base-Base interactions energy: -293.252
where: short stacking energy: -134.116
Base-Backbone interact. energy: -1.200
local terms energy: -142.709399
where:
bonds (distance) C4'-P energy: -26.938
bonds (distance) P-C4' energy: -29.257
flat angles C4'-P-C4' energy: -32.441
flat angles P-C4'-P energy: -19.638
tors. eta vs tors. theta energy: -34.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -432.417246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.417246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.417246 (E_RNA)
where:
Base-Base interactions energy: -289.375
where: short stacking energy: -139.537
Base-Backbone interact. energy: -0.060
local terms energy: -142.981704
where:
bonds (distance) C4'-P energy: -31.526
bonds (distance) P-C4' energy: -25.489
flat angles C4'-P-C4' energy: -35.175
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -36.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -363.725558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.725558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.725558 (E_RNA)
where:
Base-Base interactions energy: -223.511
where: short stacking energy: -115.796
Base-Backbone interact. energy: 0.577
local terms energy: -140.791592
where:
bonds (distance) C4'-P energy: -36.172
bonds (distance) P-C4' energy: -23.225
flat angles C4'-P-C4' energy: -37.264
flat angles P-C4'-P energy: -15.928
tors. eta vs tors. theta energy: -28.203
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: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -258.563459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.563459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.563459 (E_RNA)
where:
Base-Base interactions energy: -153.878
where: short stacking energy: -75.165
Base-Backbone interact. energy: -0.506
local terms energy: -104.179631
where:
bonds (distance) C4'-P energy: -22.547
bonds (distance) P-C4' energy: -31.456
flat angles C4'-P-C4' energy: -25.697
flat angles P-C4'-P energy: -18.891
tors. eta vs tors. theta energy: -5.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -600.209258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.209258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.209258 (E_RNA)
where:
Base-Base interactions energy: -418.104
where: short stacking energy: -188.657
Base-Backbone interact. energy: -0.181
local terms energy: -181.924284
where:
bonds (distance) C4'-P energy: -31.542
bonds (distance) P-C4' energy: -32.806
flat angles C4'-P-C4' energy: -36.332
flat angles P-C4'-P energy: -27.522
tors. eta vs tors. theta energy: -53.722
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: 5
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -562.354407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.354407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.354407 (E_RNA)
where:
Base-Base interactions energy: -396.384
where: short stacking energy: -178.045
Base-Backbone interact. energy: -0.483
local terms energy: -165.487328
where:
bonds (distance) C4'-P energy: -33.897
bonds (distance) P-C4' energy: -30.182
flat angles C4'-P-C4' energy: -32.083
flat angles P-C4'-P energy: -20.953
tors. eta vs tors. theta energy: -48.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -544.795347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.795347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.795347 (E_RNA)
where:
Base-Base interactions energy: -378.077
where: short stacking energy: -159.983
Base-Backbone interact. energy: 0.813
local terms energy: -167.530677
where:
bonds (distance) C4'-P energy: -29.148
bonds (distance) P-C4' energy: -34.690
flat angles C4'-P-C4' energy: -35.910
flat angles P-C4'-P energy: -24.172
tors. eta vs tors. theta energy: -43.610
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: 7
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -549.416559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.416559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.416559 (E_RNA)
where:
Base-Base interactions energy: -389.336
where: short stacking energy: -162.788
Base-Backbone interact. energy: -0.292
local terms energy: -159.787982
where:
bonds (distance) C4'-P energy: -30.676
bonds (distance) P-C4' energy: -32.803
flat angles C4'-P-C4' energy: -30.700
flat angles P-C4'-P energy: -18.880
tors. eta vs tors. theta energy: -46.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -514.789682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.789682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.789682 (E_RNA)
where:
Base-Base interactions energy: -342.358
where: short stacking energy: -155.759
Base-Backbone interact. energy: -1.404
local terms energy: -171.027713
where:
bonds (distance) C4'-P energy: -29.534
bonds (distance) P-C4' energy: -37.146
flat angles C4'-P-C4' energy: -30.666
flat angles P-C4'-P energy: -26.213
tors. eta vs tors. theta energy: -47.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -525.903572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.903572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.903572 (E_RNA)
where:
Base-Base interactions energy: -373.698
where: short stacking energy: -152.749
Base-Backbone interact. energy: -1.154
local terms energy: -151.051932
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -31.384
flat angles C4'-P-C4' energy: -31.644
flat angles P-C4'-P energy: -21.274
tors. eta vs tors. theta energy: -45.003
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: 4
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -420.982603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.982603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.982603 (E_RNA)
where:
Base-Base interactions energy: -286.388
where: short stacking energy: -133.087
Base-Backbone interact. energy: 1.227
local terms energy: -135.821324
where:
bonds (distance) C4'-P energy: -26.215
bonds (distance) P-C4' energy: -32.404
flat angles C4'-P-C4' energy: -26.224
flat angles P-C4'-P energy: -22.082
tors. eta vs tors. theta energy: -28.897
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: 177
Temperature: 1.250000
Total energy: -384.153889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.153889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.153889 (E_RNA)
where:
Base-Base interactions energy: -255.388
where: short stacking energy: -122.896
Base-Backbone interact. energy: -0.168
local terms energy: -128.598261
where:
bonds (distance) C4'-P energy: -28.975
bonds (distance) P-C4' energy: -27.883
flat angles C4'-P-C4' energy: -29.262
flat angles P-C4'-P energy: -15.269
tors. eta vs tors. theta energy: -27.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -416.606906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.606906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.606906 (E_RNA)
where:
Base-Base interactions energy: -269.253
where: short stacking energy: -133.099
Base-Backbone interact. energy: -0.108
local terms energy: -147.246133
where:
bonds (distance) C4'-P energy: -33.980
bonds (distance) P-C4' energy: -27.114
flat angles C4'-P-C4' energy: -33.185
flat angles P-C4'-P energy: -18.419
tors. eta vs tors. theta energy: -34.549
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: 10, replica: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -255.176903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.176903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.176903 (E_RNA)
where:
Base-Base interactions energy: -157.823
where: short stacking energy: -79.198
Base-Backbone interact. energy: -0.261
local terms energy: -97.093106
where:
bonds (distance) C4'-P energy: -24.072
bonds (distance) P-C4' energy: -31.481
flat angles C4'-P-C4' energy: -28.829
flat angles P-C4'-P energy: -4.825
tors. eta vs tors. theta energy: -7.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -590.354384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.354384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.354384 (E_RNA)
where:
Base-Base interactions energy: -422.254
where: short stacking energy: -178.596
Base-Backbone interact. energy: -0.506
local terms energy: -167.595089
where:
bonds (distance) C4'-P energy: -33.891
bonds (distance) P-C4' energy: -26.428
flat angles C4'-P-C4' energy: -34.717
flat angles P-C4'-P energy: -22.710
tors. eta vs tors. theta energy: -49.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -564.158303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.158303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.158303 (E_RNA)
where:
Base-Base interactions energy: -392.276
where: short stacking energy: -178.515
Base-Backbone interact. energy: -0.606
local terms energy: -171.276065
where:
bonds (distance) C4'-P energy: -32.568
bonds (distance) P-C4' energy: -28.831
flat angles C4'-P-C4' energy: -29.956
flat angles P-C4'-P energy: -27.566
tors. eta vs tors. theta energy: -52.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -545.389751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.389751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.389751 (E_RNA)
where:
Base-Base interactions energy: -382.758
where: short stacking energy: -170.093
Base-Backbone interact. energy: -0.050
local terms energy: -162.581715
where:
bonds (distance) C4'-P energy: -30.535
bonds (distance) P-C4' energy: -28.636
flat angles C4'-P-C4' energy: -33.702
flat angles P-C4'-P energy: -25.907
tors. eta vs tors. theta energy: -43.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -548.205963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.205963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.205963 (E_RNA)
where:
Base-Base interactions energy: -376.583
where: short stacking energy: -166.683
Base-Backbone interact. energy: -0.106
local terms energy: -171.517443
where:
bonds (distance) C4'-P energy: -37.757
bonds (distance) P-C4' energy: -33.911
flat angles C4'-P-C4' energy: -31.719
flat angles P-C4'-P energy: -23.444
tors. eta vs tors. theta energy: -44.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -547.484779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.484779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.484779 (E_RNA)
where:
Base-Base interactions energy: -390.777
where: short stacking energy: -177.310
Base-Backbone interact. energy: -0.600
local terms energy: -156.108175
where:
bonds (distance) C4'-P energy: -27.475
bonds (distance) P-C4' energy: -24.121
flat angles C4'-P-C4' energy: -29.943
flat angles P-C4'-P energy: -25.135
tors. eta vs tors. theta energy: -49.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -500.268470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.268470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.268470 (E_RNA)
where:
Base-Base interactions energy: -339.281
where: short stacking energy: -146.078
Base-Backbone interact. energy: -0.296
local terms energy: -160.691662
where:
bonds (distance) C4'-P energy: -28.342
bonds (distance) P-C4' energy: -31.745
flat angles C4'-P-C4' energy: -36.543
flat angles P-C4'-P energy: -25.182
tors. eta vs tors. theta energy: -38.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -416.166402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.166402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.166402 (E_RNA)
where:
Base-Base interactions energy: -287.081
where: short stacking energy: -128.177
Base-Backbone interact. energy: 3.666
local terms energy: -132.751074
where:
bonds (distance) C4'-P energy: -24.101
bonds (distance) P-C4' energy: -34.745
flat angles C4'-P-C4' energy: -28.152
flat angles P-C4'-P energy: -19.203
tors. eta vs tors. theta energy: -26.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -378.339386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.339386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.339386 (E_RNA)
where:
Base-Base interactions energy: -246.178
where: short stacking energy: -116.301
Base-Backbone interact. energy: -0.625
local terms energy: -131.536522
where:
bonds (distance) C4'-P energy: -24.939
bonds (distance) P-C4' energy: -28.309
flat angles C4'-P-C4' energy: -25.968
flat angles P-C4'-P energy: -24.607
tors. eta vs tors. theta energy: -27.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -397.647432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.647432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.647432 (E_RNA)
where:
Base-Base interactions energy: -259.804
where: short stacking energy: -123.484
Base-Backbone interact. energy: -1.184
local terms energy: -136.659612
where:
bonds (distance) C4'-P energy: -28.486
bonds (distance) P-C4' energy: -35.422
flat angles C4'-P-C4' energy: -32.546
flat angles P-C4'-P energy: -13.880
tors. eta vs tors. theta energy: -26.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -265.965561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.965561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.965561 (E_RNA)
where:
Base-Base interactions energy: -156.099
where: short stacking energy: -82.807
Base-Backbone interact. energy: 0.315
local terms energy: -110.182030
where:
bonds (distance) C4'-P energy: -24.004
bonds (distance) P-C4' energy: -28.085
flat angles C4'-P-C4' energy: -29.823
flat angles P-C4'-P energy: -17.626
tors. eta vs tors. theta energy: -10.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -599.697684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.697684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.697684 (E_RNA)
where:
Base-Base interactions energy: -414.140
where: short stacking energy: -179.455
Base-Backbone interact. energy: -0.088
local terms energy: -185.469635
where:
bonds (distance) C4'-P energy: -35.728
bonds (distance) P-C4' energy: -31.814
flat angles C4'-P-C4' energy: -38.419
flat angles P-C4'-P energy: -26.870
tors. eta vs tors. theta energy: -52.639
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: 2, replica: 5
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -561.862997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.862997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.862997 (E_RNA)
where:
Base-Base interactions energy: -389.443
where: short stacking energy: -166.459
Base-Backbone interact. energy: -0.301
local terms energy: -172.118697
where:
bonds (distance) C4'-P energy: -26.139
bonds (distance) P-C4' energy: -34.833
flat angles C4'-P-C4' energy: -38.715
flat angles P-C4'-P energy: -25.700
tors. eta vs tors. theta energy: -46.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -555.488262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.488262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.488262 (E_RNA)
where:
Base-Base interactions energy: -396.886
where: short stacking energy: -156.000
Base-Backbone interact. energy: -0.036
local terms energy: -158.565876
where:
bonds (distance) C4'-P energy: -29.427
bonds (distance) P-C4' energy: -34.050
flat angles C4'-P-C4' energy: -29.254
flat angles P-C4'-P energy: -20.654
tors. eta vs tors. theta energy: -45.181
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: 1
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -547.962123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.962123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.962123 (E_RNA)
where:
Base-Base interactions energy: -373.099
where: short stacking energy: -161.351
Base-Backbone interact. energy: -1.721
local terms energy: -173.141814
where:
bonds (distance) C4'-P energy: -32.615
bonds (distance) P-C4' energy: -30.891
flat angles C4'-P-C4' energy: -37.301
flat angles P-C4'-P energy: -22.664
tors. eta vs tors. theta energy: -49.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -535.965863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.965863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.965863 (E_RNA)
where:
Base-Base interactions energy: -380.896
where: short stacking energy: -164.758
Base-Backbone interact. energy: -0.035
local terms energy: -155.035205
where:
bonds (distance) C4'-P energy: -24.354
bonds (distance) P-C4' energy: -24.487
flat angles C4'-P-C4' energy: -32.523
flat angles P-C4'-P energy: -26.138
tors. eta vs tors. theta energy: -47.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -497.917139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.917139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.917139 (E_RNA)
where:
Base-Base interactions energy: -345.333
where: short stacking energy: -152.500
Base-Backbone interact. energy: -0.818
local terms energy: -151.766742
where:
bonds (distance) C4'-P energy: -28.457
bonds (distance) P-C4' energy: -31.098
flat angles C4'-P-C4' energy: -28.500
flat angles P-C4'-P energy: -21.736
tors. eta vs tors. theta energy: -41.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -385.185413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.185413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.185413 (E_RNA)
where:
Base-Base interactions energy: -254.517
where: short stacking energy: -111.145
Base-Backbone interact. energy: 0.093
local terms energy: -130.761416
where:
bonds (distance) C4'-P energy: -31.253
bonds (distance) P-C4' energy: -31.393
flat angles C4'-P-C4' energy: -28.725
flat angles P-C4'-P energy: -17.711
tors. eta vs tors. theta energy: -21.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -428.909160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.909160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.909160 (E_RNA)
where:
Base-Base interactions energy: -299.122
where: short stacking energy: -130.690
Base-Backbone interact. energy: 0.894
local terms energy: -130.680777
where:
bonds (distance) C4'-P energy: -25.532
bonds (distance) P-C4' energy: -33.019
flat angles C4'-P-C4' energy: -28.192
flat angles P-C4'-P energy: -15.957
tors. eta vs tors. theta energy: -27.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -361.594862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.594862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.594862 (E_RNA)
where:
Base-Base interactions energy: -229.669
where: short stacking energy: -115.519
Base-Backbone interact. energy: -0.188
local terms energy: -131.737846
where:
bonds (distance) C4'-P energy: -24.538
bonds (distance) P-C4' energy: -23.422
flat angles C4'-P-C4' energy: -32.063
flat angles P-C4'-P energy: -21.164
tors. eta vs tors. theta energy: -30.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -262.007478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.007478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.007478 (E_RNA)
where:
Base-Base interactions energy: -157.226
where: short stacking energy: -91.326
Base-Backbone interact. energy: 0.336
local terms energy: -105.117752
where:
bonds (distance) C4'-P energy: -18.597
bonds (distance) P-C4' energy: -24.813
flat angles C4'-P-C4' energy: -28.522
flat angles P-C4'-P energy: -22.020
tors. eta vs tors. theta energy: -11.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -589.703535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.703535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.703535 (E_RNA)
where:
Base-Base interactions energy: -408.005
where: short stacking energy: -184.705
Base-Backbone interact. energy: -0.258
local terms energy: -181.440855
where:
bonds (distance) C4'-P energy: -35.740
bonds (distance) P-C4' energy: -28.613
flat angles C4'-P-C4' energy: -37.152
flat angles P-C4'-P energy: -27.646
tors. eta vs tors. theta energy: -52.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -560.955677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.955677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.955677 (E_RNA)
where:
Base-Base interactions energy: -378.876
where: short stacking energy: -168.294
Base-Backbone interact. energy: -0.140
local terms energy: -181.939960
where:
bonds (distance) C4'-P energy: -31.646
bonds (distance) P-C4' energy: -32.666
flat angles C4'-P-C4' energy: -37.323
flat angles P-C4'-P energy: -26.978
tors. eta vs tors. theta energy: -53.328
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: 3, replica: 1
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -556.845136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.845136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.845136 (E_RNA)
where:
Base-Base interactions energy: -386.333
where: short stacking energy: -168.495
Base-Backbone interact. energy: -0.515
local terms energy: -169.997258
where:
bonds (distance) C4'-P energy: -26.562
bonds (distance) P-C4' energy: -34.451
flat angles C4'-P-C4' energy: -37.577
flat angles P-C4'-P energy: -24.434
tors. eta vs tors. theta energy: -46.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -545.435435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.435435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.435435 (E_RNA)
where:
Base-Base interactions energy: -379.685
where: short stacking energy: -166.122
Base-Backbone interact. energy: -1.570
local terms energy: -164.180071
where:
bonds (distance) C4'-P energy: -25.242
bonds (distance) P-C4' energy: -29.434
flat angles C4'-P-C4' energy: -33.394
flat angles P-C4'-P energy: -27.368
tors. eta vs tors. theta energy: -48.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -527.940397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.940397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.940397 (E_RNA)
where:
Base-Base interactions energy: -365.494
where: short stacking energy: -162.488
Base-Backbone interact. energy: -0.222
local terms energy: -162.224776
where:
bonds (distance) C4'-P energy: -31.999
bonds (distance) P-C4' energy: -28.088
flat angles C4'-P-C4' energy: -35.564
flat angles P-C4'-P energy: -21.178
tors. eta vs tors. theta energy: -45.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -504.262828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.262828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.262828 (E_RNA)
where:
Base-Base interactions energy: -339.744
where: short stacking energy: -152.684
Base-Backbone interact. energy: -1.342
local terms energy: -163.177254
where:
bonds (distance) C4'-P energy: -26.335
bonds (distance) P-C4' energy: -31.250
flat angles C4'-P-C4' energy: -37.863
flat angles P-C4'-P energy: -21.907
tors. eta vs tors. theta energy: -45.823
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: 3
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -469.828314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.828314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.828314 (E_RNA)
where:
Base-Base interactions energy: -305.690
where: short stacking energy: -148.954
Base-Backbone interact. energy: -0.017
local terms energy: -164.121243
where:
bonds (distance) C4'-P energy: -33.133
bonds (distance) P-C4' energy: -27.859
flat angles C4'-P-C4' energy: -35.289
flat angles P-C4'-P energy: -22.391
tors. eta vs tors. theta energy: -45.450
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: 4
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -416.553413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.553413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.553413 (E_RNA)
where:
Base-Base interactions energy: -279.547
where: short stacking energy: -126.407
Base-Backbone interact. energy: -0.187
local terms energy: -136.818715
where:
bonds (distance) C4'-P energy: -29.691
bonds (distance) P-C4' energy: -27.747
flat angles C4'-P-C4' energy: -27.235
flat angles P-C4'-P energy: -17.266
tors. eta vs tors. theta energy: -34.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -350.994436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.994436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.994436 (E_RNA)
where:
Base-Base interactions energy: -225.111
where: short stacking energy: -118.689
Base-Backbone interact. energy: -0.580
local terms energy: -125.302971
where:
bonds (distance) C4'-P energy: -30.564
bonds (distance) P-C4' energy: -28.316
flat angles C4'-P-C4' energy: -27.164
flat angles P-C4'-P energy: -17.898
tors. eta vs tors. theta energy: -21.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -260.036437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.036437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.036437 (E_RNA)
where:
Base-Base interactions energy: -140.347
where: short stacking energy: -83.079
Base-Backbone interact. energy: 0.276
local terms energy: -119.966058
where:
bonds (distance) C4'-P energy: -24.888
bonds (distance) P-C4' energy: -29.606
flat angles C4'-P-C4' energy: -32.605
flat angles P-C4'-P energy: -16.168
tors. eta vs tors. theta energy: -16.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -594.654364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.654364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.654364 (E_RNA)
where:
Base-Base interactions energy: -416.474
where: short stacking energy: -181.135
Base-Backbone interact. energy: 0.165
local terms energy: -178.346026
where:
bonds (distance) C4'-P energy: -29.180
bonds (distance) P-C4' energy: -36.039
flat angles C4'-P-C4' energy: -38.874
flat angles P-C4'-P energy: -26.134
tors. eta vs tors. theta energy: -48.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -569.294271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.294271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.294271 (E_RNA)
where:
Base-Base interactions energy: -399.727
where: short stacking energy: -177.357
Base-Backbone interact. energy: -0.269
local terms energy: -169.297544
where:
bonds (distance) C4'-P energy: -29.436
bonds (distance) P-C4' energy: -30.439
flat angles C4'-P-C4' energy: -36.717
flat angles P-C4'-P energy: -24.665
tors. eta vs tors. theta energy: -48.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -550.971010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.971010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.971010 (E_RNA)
where:
Base-Base interactions energy: -384.393
where: short stacking energy: -164.218
Base-Backbone interact. energy: 0.286
local terms energy: -166.864319
where:
bonds (distance) C4'-P energy: -30.386
bonds (distance) P-C4' energy: -32.024
flat angles C4'-P-C4' energy: -39.814
flat angles P-C4'-P energy: -20.711
tors. eta vs tors. theta energy: -43.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -546.817332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.817332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.817332 (E_RNA)
where:
Base-Base interactions energy: -388.067
where: short stacking energy: -158.818
Base-Backbone interact. energy: -0.011
local terms energy: -158.739261
where:
bonds (distance) C4'-P energy: -28.385
bonds (distance) P-C4' energy: -33.800
flat angles C4'-P-C4' energy: -38.653
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: -43.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -536.237091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.237091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.237091 (E_RNA)
where:
Base-Base interactions energy: -385.863
where: short stacking energy: -162.434
Base-Backbone interact. energy: -0.654
local terms energy: -149.719753
where:
bonds (distance) C4'-P energy: -29.737
bonds (distance) P-C4' energy: -23.979
flat angles C4'-P-C4' energy: -32.940
flat angles P-C4'-P energy: -14.398
tors. eta vs tors. theta energy: -48.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -505.639369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.639369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.639369 (E_RNA)
where:
Base-Base interactions energy: -348.227
where: short stacking energy: -157.253
Base-Backbone interact. energy: -0.116
local terms energy: -157.296950
where:
bonds (distance) C4'-P energy: -22.973
bonds (distance) P-C4' energy: -29.983
flat angles C4'-P-C4' energy: -33.850
flat angles P-C4'-P energy: -26.450
tors. eta vs tors. theta energy: -44.042
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: 3
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -440.111385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.111385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.111385 (E_RNA)
where:
Base-Base interactions energy: -291.619
where: short stacking energy: -123.697
Base-Backbone interact. energy: -0.882
local terms energy: -147.610253
where:
bonds (distance) C4'-P energy: -24.716
bonds (distance) P-C4' energy: -32.527
flat angles C4'-P-C4' energy: -31.384
flat angles P-C4'-P energy: -22.205
tors. eta vs tors. theta energy: -36.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -413.275699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.275699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.275699 (E_RNA)
where:
Base-Base interactions energy: -274.293
where: short stacking energy: -133.589
Base-Backbone interact. energy: -0.252
local terms energy: -138.730814
where:
bonds (distance) C4'-P energy: -28.439
bonds (distance) P-C4' energy: -27.909
flat angles C4'-P-C4' energy: -28.202
flat angles P-C4'-P energy: -16.474
tors. eta vs tors. theta energy: -37.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -342.991467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.991467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.991467 (E_RNA)
where:
Base-Base interactions energy: -220.931
where: short stacking energy: -115.766
Base-Backbone interact. energy: -0.318
local terms energy: -121.742956
where:
bonds (distance) C4'-P energy: -21.022
bonds (distance) P-C4' energy: -33.849
flat angles C4'-P-C4' energy: -30.464
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -22.279
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: 10, replica: 9
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -217.279414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.279414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.279414 (E_RNA)
where:
Base-Base interactions energy: -108.993
where: short stacking energy: -68.720
Base-Backbone interact. energy: -0.448
local terms energy: -107.838643
where:
bonds (distance) C4'-P energy: -25.523
bonds (distance) P-C4' energy: -24.583
flat angles C4'-P-C4' energy: -26.649
flat angles P-C4'-P energy: -18.698
tors. eta vs tors. theta energy: -12.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -591.526411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.526411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.526411 (E_RNA)
where:
Base-Base interactions energy: -423.486
where: short stacking energy: -187.292
Base-Backbone interact. energy: -0.781
local terms energy: -167.259280
where:
bonds (distance) C4'-P energy: -29.350
bonds (distance) P-C4' energy: -32.606
flat angles C4'-P-C4' energy: -35.928
flat angles P-C4'-P energy: -20.044
tors. eta vs tors. theta energy: -49.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -575.812009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.812009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.812009 (E_RNA)
where:
Base-Base interactions energy: -405.787
where: short stacking energy: -184.057
Base-Backbone interact. energy: -0.628
local terms energy: -169.396774
where:
bonds (distance) C4'-P energy: -26.716
bonds (distance) P-C4' energy: -32.810
flat angles C4'-P-C4' energy: -34.183
flat angles P-C4'-P energy: -23.813
tors. eta vs tors. theta energy: -51.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -554.803063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.803063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.803063 (E_RNA)
where:
Base-Base interactions energy: -391.764
where: short stacking energy: -166.962
Base-Backbone interact. energy: -0.969
local terms energy: -162.070040
where:
bonds (distance) C4'-P energy: -30.429
bonds (distance) P-C4' energy: -36.639
flat angles C4'-P-C4' energy: -28.446
flat angles P-C4'-P energy: -22.305
tors. eta vs tors. theta energy: -44.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -547.075694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.075694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.075694 (E_RNA)
where:
Base-Base interactions energy: -391.606
where: short stacking energy: -166.061
Base-Backbone interact. energy: 0.406
local terms energy: -155.875685
where:
bonds (distance) C4'-P energy: -28.987
bonds (distance) P-C4' energy: -26.626
flat angles C4'-P-C4' energy: -31.886
flat angles P-C4'-P energy: -22.101
tors. eta vs tors. theta energy: -46.276
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: 8
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -530.469953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.469953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.469953 (E_RNA)
where:
Base-Base interactions energy: -361.485
where: short stacking energy: -148.406
Base-Backbone interact. energy: -2.169
local terms energy: -166.815479
where:
bonds (distance) C4'-P energy: -28.335
bonds (distance) P-C4' energy: -37.256
flat angles C4'-P-C4' energy: -30.499
flat angles P-C4'-P energy: -28.998
tors. eta vs tors. theta energy: -41.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -500.309649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.309649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.309649 (E_RNA)
where:
Base-Base interactions energy: -344.847
where: short stacking energy: -157.068
Base-Backbone interact. energy: -0.331
local terms energy: -155.131715
where:
bonds (distance) C4'-P energy: -25.373
bonds (distance) P-C4' energy: -29.211
flat angles C4'-P-C4' energy: -32.278
flat angles P-C4'-P energy: -27.661
tors. eta vs tors. theta energy: -40.609
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: 182
Temperature: 1.200000
Total energy: -446.661548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.661548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.661548 (E_RNA)
where:
Base-Base interactions energy: -303.101
where: short stacking energy: -131.583
Base-Backbone interact. energy: -1.196
local terms energy: -142.364682
where:
bonds (distance) C4'-P energy: -25.805
bonds (distance) P-C4' energy: -30.769
flat angles C4'-P-C4' energy: -30.165
flat angles P-C4'-P energy: -22.625
tors. eta vs tors. theta energy: -33.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -432.850298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.850298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.850298 (E_RNA)
where:
Base-Base interactions energy: -289.041
where: short stacking energy: -117.579
Base-Backbone interact. energy: -0.335
local terms energy: -143.474325
where:
bonds (distance) C4'-P energy: -35.025
bonds (distance) P-C4' energy: -20.864
flat angles C4'-P-C4' energy: -34.616
flat angles P-C4'-P energy: -23.420
tors. eta vs tors. theta energy: -29.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -333.606104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.606104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.606104 (E_RNA)
where:
Base-Base interactions energy: -205.640
where: short stacking energy: -111.602
Base-Backbone interact. energy: -0.371
local terms energy: -127.596057
where:
bonds (distance) C4'-P energy: -21.618
bonds (distance) P-C4' energy: -27.433
flat angles C4'-P-C4' energy: -31.489
flat angles P-C4'-P energy: -19.414
tors. eta vs tors. theta energy: -27.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -285.768443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.768443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.768443 (E_RNA)
where:
Base-Base interactions energy: -170.375
where: short stacking energy: -79.580
Base-Backbone interact. energy: -0.339
local terms energy: -115.054616
where:
bonds (distance) C4'-P energy: -34.664
bonds (distance) P-C4' energy: -27.534
flat angles C4'-P-C4' energy: -24.269
flat angles P-C4'-P energy: -15.626
tors. eta vs tors. theta energy: -12.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -587.132196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.132196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.132196 (E_RNA)
where:
Base-Base interactions energy: -402.567
where: short stacking energy: -180.903
Base-Backbone interact. energy: -0.458
local terms energy: -184.107004
where:
bonds (distance) C4'-P energy: -30.084
bonds (distance) P-C4' energy: -38.981
flat angles C4'-P-C4' energy: -37.160
flat angles P-C4'-P energy: -24.443
tors. eta vs tors. theta energy: -53.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -564.607195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.607195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.607195 (E_RNA)
where:
Base-Base interactions energy: -394.375
where: short stacking energy: -170.226
Base-Backbone interact. energy: -0.235
local terms energy: -169.997881
where:
bonds (distance) C4'-P energy: -32.288
bonds (distance) P-C4' energy: -31.155
flat angles C4'-P-C4' energy: -34.740
flat angles P-C4'-P energy: -25.140
tors. eta vs tors. theta energy: -46.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -548.153613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.153613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.153613 (E_RNA)
where:
Base-Base interactions energy: -385.783
where: short stacking energy: -149.152
Base-Backbone interact. energy: -0.482
local terms energy: -161.889399
where:
bonds (distance) C4'-P energy: -25.941
bonds (distance) P-C4' energy: -36.970
flat angles C4'-P-C4' energy: -29.437
flat angles P-C4'-P energy: -24.987
tors. eta vs tors. theta energy: -44.555
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: 8
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -539.695111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.695111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.695111 (E_RNA)
where:
Base-Base interactions energy: -374.124
where: short stacking energy: -162.226
Base-Backbone interact. energy: -0.315
local terms energy: -165.255709
where:
bonds (distance) C4'-P energy: -27.673
bonds (distance) P-C4' energy: -31.926
flat angles C4'-P-C4' energy: -36.276
flat angles P-C4'-P energy: -25.385
tors. eta vs tors. theta energy: -43.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -535.866665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.866665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.866665 (E_RNA)
where:
Base-Base interactions energy: -368.622
where: short stacking energy: -155.540
Base-Backbone interact. energy: -0.379
local terms energy: -166.864952
where:
bonds (distance) C4'-P energy: -20.362
bonds (distance) P-C4' energy: -34.132
flat angles C4'-P-C4' energy: -39.262
flat angles P-C4'-P energy: -28.504
tors. eta vs tors. theta energy: -44.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -478.226454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.226454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.226454 (E_RNA)
where:
Base-Base interactions energy: -329.741
where: short stacking energy: -149.745
Base-Backbone interact. energy: 2.680
local terms energy: -151.165951
where:
bonds (distance) C4'-P energy: -33.895
bonds (distance) P-C4' energy: -24.624
flat angles C4'-P-C4' energy: -28.865
flat angles P-C4'-P energy: -25.664
tors. eta vs tors. theta energy: -38.117
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: 183
Temperature: 1.200000
Total energy: -463.477785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.477785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.477785 (E_RNA)
where:
Base-Base interactions energy: -328.688
where: short stacking energy: -139.225
Base-Backbone interact. energy: -0.212
local terms energy: -134.578017
where:
bonds (distance) C4'-P energy: -25.399
bonds (distance) P-C4' energy: -24.454
flat angles C4'-P-C4' energy: -29.343
flat angles P-C4'-P energy: -18.612
tors. eta vs tors. theta energy: -36.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -446.370096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.370096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.370096 (E_RNA)
where:
Base-Base interactions energy: -295.844
where: short stacking energy: -129.668
Base-Backbone interact. energy: -0.676
local terms energy: -149.850040
where:
bonds (distance) C4'-P energy: -25.695
bonds (distance) P-C4' energy: -31.179
flat angles C4'-P-C4' energy: -37.001
flat angles P-C4'-P energy: -19.532
tors. eta vs tors. theta energy: -36.443
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: 10
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -308.779577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.779577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.779577 (E_RNA)
where:
Base-Base interactions energy: -209.949
where: short stacking energy: -109.550
Base-Backbone interact. energy: -0.204
local terms energy: -98.626125
where:
bonds (distance) C4'-P energy: -27.969
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -20.505
flat angles P-C4'-P energy: -16.603
tors. eta vs tors. theta energy: -18.991
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: 183
Temperature: 1.350000
Total energy: -314.493071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.493071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.493071 (E_RNA)
where:
Base-Base interactions energy: -211.668
where: short stacking energy: -100.920
Base-Backbone interact. energy: -0.442
local terms energy: -102.383199
where:
bonds (distance) C4'-P energy: -21.995
bonds (distance) P-C4' energy: -27.403
flat angles C4'-P-C4' energy: -27.433
flat angles P-C4'-P energy: -13.962
tors. eta vs tors. theta energy: -11.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -594.255946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.255946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.255946 (E_RNA)
where:
Base-Base interactions energy: -416.577
where: short stacking energy: -180.369
Base-Backbone interact. energy: -1.322
local terms energy: -176.357317
where:
bonds (distance) C4'-P energy: -34.249
bonds (distance) P-C4' energy: -27.231
flat angles C4'-P-C4' energy: -31.269
flat angles P-C4'-P energy: -31.592
tors. eta vs tors. theta energy: -52.016
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: 5
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -586.591859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.591859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.591859 (E_RNA)
where:
Base-Base interactions energy: -409.942
where: short stacking energy: -177.765
Base-Backbone interact. energy: 0.021
local terms energy: -176.670634
where:
bonds (distance) C4'-P energy: -37.309
bonds (distance) P-C4' energy: -33.697
flat angles C4'-P-C4' energy: -31.209
flat angles P-C4'-P energy: -23.807
tors. eta vs tors. theta energy: -50.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -540.985978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.985978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.985978 (E_RNA)
where:
Base-Base interactions energy: -376.960
where: short stacking energy: -158.199
Base-Backbone interact. energy: -2.342
local terms energy: -161.684433
where:
bonds (distance) C4'-P energy: -28.309
bonds (distance) P-C4' energy: -31.164
flat angles C4'-P-C4' energy: -32.238
flat angles P-C4'-P energy: -19.820
tors. eta vs tors. theta energy: -50.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -547.086628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.086628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.086628 (E_RNA)
where:
Base-Base interactions energy: -387.417
where: short stacking energy: -166.920
Base-Backbone interact. energy: -1.477
local terms energy: -158.192655
where:
bonds (distance) C4'-P energy: -31.376
bonds (distance) P-C4' energy: -24.385
flat angles C4'-P-C4' energy: -33.817
flat angles P-C4'-P energy: -24.197
tors. eta vs tors. theta energy: -44.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -545.199049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.199049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.199049 (E_RNA)
where:
Base-Base interactions energy: -380.490
where: short stacking energy: -159.846
Base-Backbone interact. energy: 1.402
local terms energy: -166.110120
where:
bonds (distance) C4'-P energy: -25.154
bonds (distance) P-C4' energy: -28.649
flat angles C4'-P-C4' energy: -36.280
flat angles P-C4'-P energy: -27.068
tors. eta vs tors. theta energy: -48.959
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: 3
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -508.687206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.687206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.687206 (E_RNA)
where:
Base-Base interactions energy: -355.208
where: short stacking energy: -150.027
Base-Backbone interact. energy: 1.665
local terms energy: -155.143440
where:
bonds (distance) C4'-P energy: -33.286
bonds (distance) P-C4' energy: -30.520
flat angles C4'-P-C4' energy: -32.953
flat angles P-C4'-P energy: -19.995
tors. eta vs tors. theta energy: -38.390
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: 184
Temperature: 1.200000
Total energy: -477.828149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.828149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.828149 (E_RNA)
where:
Base-Base interactions energy: -329.757
where: short stacking energy: -133.745
Base-Backbone interact. energy: -0.595
local terms energy: -147.476079
where:
bonds (distance) C4'-P energy: -30.915
bonds (distance) P-C4' energy: -25.325
flat angles C4'-P-C4' energy: -31.569
flat angles P-C4'-P energy: -21.659
tors. eta vs tors. theta energy: -38.008
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: 4
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -426.281340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.281340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.281340 (E_RNA)
where:
Base-Base interactions energy: -286.981
where: short stacking energy: -124.467
Base-Backbone interact. energy: -0.628
local terms energy: -138.671418
where:
bonds (distance) C4'-P energy: -26.424
bonds (distance) P-C4' energy: -30.319
flat angles C4'-P-C4' energy: -33.543
flat angles P-C4'-P energy: -20.827
tors. eta vs tors. theta energy: -27.558
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: 9, replica: 9
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -335.126649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.126649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.126649 (E_RNA)
where:
Base-Base interactions energy: -228.656
where: short stacking energy: -101.037
Base-Backbone interact. energy: -2.266
local terms energy: -104.204689
where:
bonds (distance) C4'-P energy: -18.188
bonds (distance) P-C4' energy: -21.597
flat angles C4'-P-C4' energy: -32.502
flat angles P-C4'-P energy: -13.254
tors. eta vs tors. theta energy: -18.663
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: 10, replica: 10
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -327.076340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.076340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.076340 (E_RNA)
where:
Base-Base interactions energy: -205.864
where: short stacking energy: -99.904
Base-Backbone interact. energy: -0.383
local terms energy: -120.828988
where:
bonds (distance) C4'-P energy: -24.440
bonds (distance) P-C4' energy: -28.607
flat angles C4'-P-C4' energy: -27.039
flat angles P-C4'-P energy: -18.281
tors. eta vs tors. theta energy: -22.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -595.346199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.346199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.346199 (E_RNA)
where:
Base-Base interactions energy: -419.677
where: short stacking energy: -187.199
Base-Backbone interact. energy: -0.087
local terms energy: -175.582350
where:
bonds (distance) C4'-P energy: -32.449
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -36.639
flat angles P-C4'-P energy: -23.548
tors. eta vs tors. theta energy: -53.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -581.630073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.630073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.630073 (E_RNA)
where:
Base-Base interactions energy: -407.771
where: short stacking energy: -184.031
Base-Backbone interact. energy: -0.591
local terms energy: -173.267775
where:
bonds (distance) C4'-P energy: -28.310
bonds (distance) P-C4' energy: -35.748
flat angles C4'-P-C4' energy: -38.595
flat angles P-C4'-P energy: -20.719
tors. eta vs tors. theta energy: -49.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -540.411679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.411679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.411679 (E_RNA)
where:
Base-Base interactions energy: -389.613
where: short stacking energy: -156.389
Base-Backbone interact. energy: -0.298
local terms energy: -150.500784
where:
bonds (distance) C4'-P energy: -29.515
bonds (distance) P-C4' energy: -30.855
flat angles C4'-P-C4' energy: -30.737
flat angles P-C4'-P energy: -18.031
tors. eta vs tors. theta energy: -41.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -535.849860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.849860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.849860 (E_RNA)
where:
Base-Base interactions energy: -365.851
where: short stacking energy: -172.169
Base-Backbone interact. energy: -0.774
local terms energy: -169.224452
where:
bonds (distance) C4'-P energy: -31.390
bonds (distance) P-C4' energy: -31.057
flat angles C4'-P-C4' energy: -30.289
flat angles P-C4'-P energy: -27.895
tors. eta vs tors. theta energy: -48.593
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: 8
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -530.845237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.845237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.845237 (E_RNA)
where:
Base-Base interactions energy: -377.548
where: short stacking energy: -155.909
Base-Backbone interact. energy: -1.888
local terms energy: -151.409354
where:
bonds (distance) C4'-P energy: -23.111
bonds (distance) P-C4' energy: -30.592
flat angles C4'-P-C4' energy: -35.274
flat angles P-C4'-P energy: -20.032
tors. eta vs tors. theta energy: -42.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -494.872482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.872482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.872482 (E_RNA)
where:
Base-Base interactions energy: -340.236
where: short stacking energy: -145.858
Base-Backbone interact. energy: -0.301
local terms energy: -154.336060
where:
bonds (distance) C4'-P energy: -33.525
bonds (distance) P-C4' energy: -25.607
flat angles C4'-P-C4' energy: -29.553
flat angles P-C4'-P energy: -25.880
tors. eta vs tors. theta energy: -39.770
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: 3
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -476.781641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.781641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.781641 (E_RNA)
where:
Base-Base interactions energy: -332.472
where: short stacking energy: -143.899
Base-Backbone interact. energy: -0.488
local terms energy: -143.821435
where:
bonds (distance) C4'-P energy: -30.715
bonds (distance) P-C4' energy: -28.832
flat angles C4'-P-C4' energy: -31.343
flat angles P-C4'-P energy: -19.079
tors. eta vs tors. theta energy: -33.852
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: 4
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -432.096151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.096151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.096151 (E_RNA)
where:
Base-Base interactions energy: -296.557
where: short stacking energy: -136.123
Base-Backbone interact. energy: -0.123
local terms energy: -135.415303
where:
bonds (distance) C4'-P energy: -21.233
bonds (distance) P-C4' energy: -29.034
flat angles C4'-P-C4' energy: -31.906
flat angles P-C4'-P energy: -19.913
tors. eta vs tors. theta energy: -33.329
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: 9, replica: 9
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -315.993674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.993674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.993674 (E_RNA)
where:
Base-Base interactions energy: -199.859
where: short stacking energy: -92.731
Base-Backbone interact. energy: -0.396
local terms energy: -115.738273
where:
bonds (distance) C4'-P energy: -24.452
bonds (distance) P-C4' energy: -26.860
flat angles C4'-P-C4' energy: -24.548
flat angles P-C4'-P energy: -19.359
tors. eta vs tors. theta energy: -20.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -277.635799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.635799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.635799 (E_RNA)
where:
Base-Base interactions energy: -169.225
where: short stacking energy: -87.969
Base-Backbone interact. energy: -0.590
local terms energy: -107.820934
where:
bonds (distance) C4'-P energy: -22.364
bonds (distance) P-C4' energy: -28.416
flat angles C4'-P-C4' energy: -24.226
flat angles P-C4'-P energy: -17.926
tors. eta vs tors. theta energy: -14.890
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: 2
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -596.989334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.989334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.989334 (E_RNA)
where:
Base-Base interactions energy: -421.527
where: short stacking energy: -187.663
Base-Backbone interact. energy: -0.395
local terms energy: -175.067648
where:
bonds (distance) C4'-P energy: -28.132
bonds (distance) P-C4' energy: -33.029
flat angles C4'-P-C4' energy: -33.661
flat angles P-C4'-P energy: -27.592
tors. eta vs tors. theta energy: -52.654
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: 5
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -567.794383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.794383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.794383 (E_RNA)
where:
Base-Base interactions energy: -404.191
where: short stacking energy: -180.066
Base-Backbone interact. energy: -0.106
local terms energy: -163.497202
where:
bonds (distance) C4'-P energy: -27.527
bonds (distance) P-C4' energy: -29.808
flat angles C4'-P-C4' energy: -34.420
flat angles P-C4'-P energy: -22.197
tors. eta vs tors. theta energy: -49.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -557.614435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.614435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.614435 (E_RNA)
where:
Base-Base interactions energy: -389.521
where: short stacking energy: -177.904
Base-Backbone interact. energy: -1.003
local terms energy: -167.090130
where:
bonds (distance) C4'-P energy: -33.227
bonds (distance) P-C4' energy: -31.667
flat angles C4'-P-C4' energy: -31.683
flat angles P-C4'-P energy: -23.592
tors. eta vs tors. theta energy: -46.921
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: 7
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -560.461444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.461444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.461444 (E_RNA)
where:
Base-Base interactions energy: -392.068
where: short stacking energy: -167.698
Base-Backbone interact. energy: -1.081
local terms energy: -167.312366
where:
bonds (distance) C4'-P energy: -27.803
bonds (distance) P-C4' energy: -30.165
flat angles C4'-P-C4' energy: -36.855
flat angles P-C4'-P energy: -23.613
tors. eta vs tors. theta energy: -48.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -530.867599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.867599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.867599 (E_RNA)
where:
Base-Base interactions energy: -373.792
where: short stacking energy: -153.393
Base-Backbone interact. energy: -0.651
local terms energy: -156.424223
where:
bonds (distance) C4'-P energy: -30.591
bonds (distance) P-C4' energy: -29.794
flat angles C4'-P-C4' energy: -29.999
flat angles P-C4'-P energy: -29.208
tors. eta vs tors. theta energy: -36.833
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: 8
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -516.480804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.480804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.480804 (E_RNA)
where:
Base-Base interactions energy: -363.223
where: short stacking energy: -160.424
Base-Backbone interact. energy: -0.002
local terms energy: -153.255905
where:
bonds (distance) C4'-P energy: -25.459
bonds (distance) P-C4' energy: -27.786
flat angles C4'-P-C4' energy: -32.428
flat angles P-C4'-P energy: -22.670
tors. eta vs tors. theta energy: -44.913
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: 4
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -452.174028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.174028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.174028 (E_RNA)
where:
Base-Base interactions energy: -320.333
where: short stacking energy: -143.794
Base-Backbone interact. energy: -1.001
local terms energy: -130.839696
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -27.895
flat angles C4'-P-C4' energy: -28.264
flat angles P-C4'-P energy: -16.395
tors. eta vs tors. theta energy: -43.689
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: 8, replica: 3
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -428.185167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.185167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.185167 (E_RNA)
where:
Base-Base interactions energy: -287.515
where: short stacking energy: -126.259
Base-Backbone interact. energy: -0.345
local terms energy: -140.324903
where:
bonds (distance) C4'-P energy: -37.090
bonds (distance) P-C4' energy: -27.454
flat angles C4'-P-C4' energy: -23.851
flat angles P-C4'-P energy: -24.050
tors. eta vs tors. theta energy: -27.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -318.985345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.985345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.985345 (E_RNA)
where:
Base-Base interactions energy: -205.000
where: short stacking energy: -89.363
Base-Backbone interact. energy: -0.379
local terms energy: -113.605729
where:
bonds (distance) C4'-P energy: -26.574
bonds (distance) P-C4' energy: -27.263
flat angles C4'-P-C4' energy: -27.482
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -22.174
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: 10
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -314.565175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.565175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.565175 (E_RNA)
where:
Base-Base interactions energy: -217.498
where: short stacking energy: -101.017
Base-Backbone interact. energy: -0.161
local terms energy: -96.906468
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -35.016
flat angles C4'-P-C4' energy: -19.475
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -14.086
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: 2
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -584.561331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.561331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.561331 (E_RNA)
where:
Base-Base interactions energy: -410.333
where: short stacking energy: -177.435
Base-Backbone interact. energy: -0.398
local terms energy: -173.829952
where:
bonds (distance) C4'-P energy: -30.901
bonds (distance) P-C4' energy: -32.440
flat angles C4'-P-C4' energy: -36.904
flat angles P-C4'-P energy: -20.988
tors. eta vs tors. theta energy: -52.597
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: 2, replica: 1
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -562.616227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.616227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.616227 (E_RNA)
where:
Base-Base interactions energy: -385.604
where: short stacking energy: -169.858
Base-Backbone interact. energy: -0.727
local terms energy: -176.285079
where:
bonds (distance) C4'-P energy: -34.550
bonds (distance) P-C4' energy: -32.258
flat angles C4'-P-C4' energy: -35.839
flat angles P-C4'-P energy: -24.804
tors. eta vs tors. theta energy: -48.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -568.130920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.130920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.130920 (E_RNA)
where:
Base-Base interactions energy: -402.313
where: short stacking energy: -169.185
Base-Backbone interact. energy: -0.310
local terms energy: -165.507822
where:
bonds (distance) C4'-P energy: -33.632
bonds (distance) P-C4' energy: -27.660
flat angles C4'-P-C4' energy: -36.684
flat angles P-C4'-P energy: -18.278
tors. eta vs tors. theta energy: -49.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -536.816126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.816126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.816126 (E_RNA)
where:
Base-Base interactions energy: -382.875
where: short stacking energy: -160.000
Base-Backbone interact. energy: -0.628
local terms energy: -153.313234
where:
bonds (distance) C4'-P energy: -30.338
bonds (distance) P-C4' energy: -24.159
flat angles C4'-P-C4' energy: -37.609
flat angles P-C4'-P energy: -21.247
tors. eta vs tors. theta energy: -39.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -513.385546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.385546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.385546 (E_RNA)
where:
Base-Base interactions energy: -366.845
where: short stacking energy: -144.622
Base-Backbone interact. energy: -0.776
local terms energy: -145.763845
where:
bonds (distance) C4'-P energy: -29.398
bonds (distance) P-C4' energy: -33.721
flat angles C4'-P-C4' energy: -36.360
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -35.108
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: 8
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -504.416672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.416672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.416672 (E_RNA)
where:
Base-Base interactions energy: -342.321
where: short stacking energy: -149.430
Base-Backbone interact. energy: -0.972
local terms energy: -161.123652
where:
bonds (distance) C4'-P energy: -35.996
bonds (distance) P-C4' energy: -27.797
flat angles C4'-P-C4' energy: -25.362
flat angles P-C4'-P energy: -28.447
tors. eta vs tors. theta energy: -43.521
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: 4
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -475.234867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.234867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.234867 (E_RNA)
where:
Base-Base interactions energy: -329.255
where: short stacking energy: -145.355
Base-Backbone interact. energy: -0.092
local terms energy: -145.887679
where:
bonds (distance) C4'-P energy: -27.681
bonds (distance) P-C4' energy: -31.575
flat angles C4'-P-C4' energy: -28.341
flat angles P-C4'-P energy: -17.678
tors. eta vs tors. theta energy: -40.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -422.897354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.897354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.897354 (E_RNA)
where:
Base-Base interactions energy: -287.848
where: short stacking energy: -138.653
Base-Backbone interact. energy: 1.080
local terms energy: -136.129038
where:
bonds (distance) C4'-P energy: -30.859
bonds (distance) P-C4' energy: -27.065
flat angles C4'-P-C4' energy: -29.084
flat angles P-C4'-P energy: -16.224
tors. eta vs tors. theta energy: -32.898
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: 9
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -304.444599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.444599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.444599 (E_RNA)
where:
Base-Base interactions energy: -193.979
where: short stacking energy: -104.106
Base-Backbone interact. energy: -0.097
local terms energy: -110.368692
where:
bonds (distance) C4'-P energy: -28.330
bonds (distance) P-C4' energy: -26.861
flat angles C4'-P-C4' energy: -19.997
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -23.309
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: 10
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -325.010458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.010458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.010458 (E_RNA)
where:
Base-Base interactions energy: -213.889
where: short stacking energy: -100.357
Base-Backbone interact. energy: 1.776
local terms energy: -112.898305
where:
bonds (distance) C4'-P energy: -24.314
bonds (distance) P-C4' energy: -19.764
flat angles C4'-P-C4' energy: -30.527
flat angles P-C4'-P energy: -17.835
tors. eta vs tors. theta energy: -20.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -563.373003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.373003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.373003 (E_RNA)
where:
Base-Base interactions energy: -388.930
where: short stacking energy: -172.873
Base-Backbone interact. energy: 0.342
local terms energy: -174.784867
where:
bonds (distance) C4'-P energy: -36.571
bonds (distance) P-C4' energy: -32.671
flat angles C4'-P-C4' energy: -34.799
flat angles P-C4'-P energy: -22.737
tors. eta vs tors. theta energy: -48.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -591.224471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.224471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.224471 (E_RNA)
where:
Base-Base interactions energy: -412.354
where: short stacking energy: -181.707
Base-Backbone interact. energy: 0.532
local terms energy: -179.402447
where:
bonds (distance) C4'-P energy: -33.401
bonds (distance) P-C4' energy: -34.620
flat angles C4'-P-C4' energy: -37.489
flat angles P-C4'-P energy: -24.685
tors. eta vs tors. theta energy: -49.208
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: 5
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -566.301347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.301347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.301347 (E_RNA)
where:
Base-Base interactions energy: -411.189
where: short stacking energy: -181.464
Base-Backbone interact. energy: -0.105
local terms energy: -155.007542
where:
bonds (distance) C4'-P energy: -24.803
bonds (distance) P-C4' energy: -24.753
flat angles C4'-P-C4' energy: -33.756
flat angles P-C4'-P energy: -21.998
tors. eta vs tors. theta energy: -49.697
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: 6
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -537.548710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.548710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.548710 (E_RNA)
where:
Base-Base interactions energy: -383.793
where: short stacking energy: -159.779
Base-Backbone interact. energy: 0.093
local terms energy: -153.849142
where:
bonds (distance) C4'-P energy: -33.931
bonds (distance) P-C4' energy: -25.052
flat angles C4'-P-C4' energy: -30.919
flat angles P-C4'-P energy: -23.498
tors. eta vs tors. theta energy: -40.449
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: 7
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -515.267863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.267863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.267863 (E_RNA)
where:
Base-Base interactions energy: -379.406
where: short stacking energy: -141.682
Base-Backbone interact. energy: -0.834
local terms energy: -135.028455
where:
bonds (distance) C4'-P energy: -25.725
bonds (distance) P-C4' energy: -28.752
flat angles C4'-P-C4' energy: -29.433
flat angles P-C4'-P energy: -15.833
tors. eta vs tors. theta energy: -35.285
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: 8
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -518.788877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.788877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.788877 (E_RNA)
where:
Base-Base interactions energy: -362.958
where: short stacking energy: -162.964
Base-Backbone interact. energy: -0.010
local terms energy: -155.820111
where:
bonds (distance) C4'-P energy: -22.198
bonds (distance) P-C4' energy: -24.439
flat angles C4'-P-C4' energy: -33.781
flat angles P-C4'-P energy: -26.793
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: 7, replica: 3
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -447.829027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.829027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.829027 (E_RNA)
where:
Base-Base interactions energy: -319.498
where: short stacking energy: -136.355
Base-Backbone interact. energy: 0.924
local terms energy: -129.255800
where:
bonds (distance) C4'-P energy: -28.950
bonds (distance) P-C4' energy: -26.535
flat angles C4'-P-C4' energy: -27.988
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -33.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -455.905001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.905001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.905001 (E_RNA)
where:
Base-Base interactions energy: -310.039
where: short stacking energy: -122.125
Base-Backbone interact. energy: -1.006
local terms energy: -144.860388
where:
bonds (distance) C4'-P energy: -30.991
bonds (distance) P-C4' energy: -25.905
flat angles C4'-P-C4' energy: -31.884
flat angles P-C4'-P energy: -23.883
tors. eta vs tors. theta energy: -32.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -375.092870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.092870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.092870 (E_RNA)
where:
Base-Base interactions energy: -255.843
where: short stacking energy: -116.083
Base-Backbone interact. energy: 1.259
local terms energy: -120.508934
where:
bonds (distance) C4'-P energy: -21.883
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -28.677
flat angles P-C4'-P energy: -23.804
tors. eta vs tors. theta energy: -28.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -326.400092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.400092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.400092 (E_RNA)
where:
Base-Base interactions energy: -208.426
where: short stacking energy: -87.905
Base-Backbone interact. energy: -0.734
local terms energy: -117.240422
where:
bonds (distance) C4'-P energy: -27.985
bonds (distance) P-C4' energy: -27.902
flat angles C4'-P-C4' energy: -27.928
flat angles P-C4'-P energy: -21.332
tors. eta vs tors. theta energy: -12.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -572.797886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.797886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.797886 (E_RNA)
where:
Base-Base interactions energy: -395.236
where: short stacking energy: -170.551
Base-Backbone interact. energy: -0.204
local terms energy: -177.358283
where:
bonds (distance) C4'-P energy: -33.980
bonds (distance) P-C4' energy: -35.444
flat angles C4'-P-C4' energy: -39.942
flat angles P-C4'-P energy: -22.943
tors. eta vs tors. theta energy: -45.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -561.190342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.190342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.190342 (E_RNA)
where:
Base-Base interactions energy: -387.930
where: short stacking energy: -166.798
Base-Backbone interact. energy: -0.071
local terms energy: -173.189519
where:
bonds (distance) C4'-P energy: -32.530
bonds (distance) P-C4' energy: -29.311
flat angles C4'-P-C4' energy: -35.032
flat angles P-C4'-P energy: -25.567
tors. eta vs tors. theta energy: -50.750
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: 5
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -569.157716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.157716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.157716 (E_RNA)
where:
Base-Base interactions energy: -394.588
where: short stacking energy: -172.324
Base-Backbone interact. energy: -0.394
local terms energy: -174.175763
where:
bonds (distance) C4'-P energy: -30.056
bonds (distance) P-C4' energy: -36.519
flat angles C4'-P-C4' energy: -34.990
flat angles P-C4'-P energy: -26.329
tors. eta vs tors. theta energy: -46.282
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: 4, replica: 6
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -518.312201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.312201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.312201 (E_RNA)
where:
Base-Base interactions energy: -364.501
where: short stacking energy: -149.290
Base-Backbone interact. energy: -0.666
local terms energy: -153.145109
where:
bonds (distance) C4'-P energy: -34.433
bonds (distance) P-C4' energy: -26.675
flat angles C4'-P-C4' energy: -32.638
flat angles P-C4'-P energy: -23.647
tors. eta vs tors. theta energy: -35.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -544.681739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.681739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.681739 (E_RNA)
where:
Base-Base interactions energy: -371.811
where: short stacking energy: -157.710
Base-Backbone interact. energy: -1.536
local terms energy: -171.334278
where:
bonds (distance) C4'-P energy: -26.979
bonds (distance) P-C4' energy: -31.825
flat angles C4'-P-C4' energy: -37.103
flat angles P-C4'-P energy: -23.502
tors. eta vs tors. theta energy: -51.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -515.547090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.547090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.547090 (E_RNA)
where:
Base-Base interactions energy: -369.537
where: short stacking energy: -153.901
Base-Backbone interact. energy: -0.370
local terms energy: -145.639921
where:
bonds (distance) C4'-P energy: -32.162
bonds (distance) P-C4' energy: -20.726
flat angles C4'-P-C4' energy: -37.809
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -43.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -408.332079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.332079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.332079 (E_RNA)
where:
Base-Base interactions energy: -274.546
where: short stacking energy: -106.468
Base-Backbone interact. energy: -2.223
local terms energy: -131.563032
where:
bonds (distance) C4'-P energy: -31.755
bonds (distance) P-C4' energy: -28.855
flat angles C4'-P-C4' energy: -28.411
flat angles P-C4'-P energy: -19.763
tors. eta vs tors. theta energy: -22.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -446.869728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.869728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.869728 (E_RNA)
where:
Base-Base interactions energy: -308.480
where: short stacking energy: -130.448
Base-Backbone interact. energy: -1.413
local terms energy: -136.977342
where:
bonds (distance) C4'-P energy: -20.171
bonds (distance) P-C4' energy: -29.602
flat angles C4'-P-C4' energy: -32.957
flat angles P-C4'-P energy: -21.346
tors. eta vs tors. theta energy: -32.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -369.631673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.631673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.631673 (E_RNA)
where:
Base-Base interactions energy: -237.287
where: short stacking energy: -116.847
Base-Backbone interact. energy: -0.263
local terms energy: -132.081810
where:
bonds (distance) C4'-P energy: -30.304
bonds (distance) P-C4' energy: -30.092
flat angles C4'-P-C4' energy: -27.496
flat angles P-C4'-P energy: -22.326
tors. eta vs tors. theta energy: -21.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -312.427433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.427433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.427433 (E_RNA)
where:
Base-Base interactions energy: -189.259
where: short stacking energy: -94.704
Base-Backbone interact. energy: -0.147
local terms energy: -123.021680
where:
bonds (distance) C4'-P energy: -29.595
bonds (distance) P-C4' energy: -30.423
flat angles C4'-P-C4' energy: -26.113
flat angles P-C4'-P energy: -23.636
tors. eta vs tors. theta energy: -13.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -580.901448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.901448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.901448 (E_RNA)
where:
Base-Base interactions energy: -396.095
where: short stacking energy: -179.540
Base-Backbone interact. energy: -0.441
local terms energy: -184.365859
where:
bonds (distance) C4'-P energy: -33.961
bonds (distance) P-C4' energy: -33.865
flat angles C4'-P-C4' energy: -40.203
flat angles P-C4'-P energy: -25.190
tors. eta vs tors. theta energy: -51.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -569.188574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.188574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.188574 (E_RNA)
where:
Base-Base interactions energy: -398.630
where: short stacking energy: -175.764
Base-Backbone interact. energy: -0.260
local terms energy: -170.298446
where:
bonds (distance) C4'-P energy: -28.784
bonds (distance) P-C4' energy: -34.963
flat angles C4'-P-C4' energy: -36.173
flat angles P-C4'-P energy: -23.784
tors. eta vs tors. theta energy: -46.595
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: 5
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -565.302330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.302330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.302330 (E_RNA)
where:
Base-Base interactions energy: -399.177
where: short stacking energy: -171.759
Base-Backbone interact. energy: -0.463
local terms energy: -165.662998
where:
bonds (distance) C4'-P energy: -31.502
bonds (distance) P-C4' energy: -30.808
flat angles C4'-P-C4' energy: -34.065
flat angles P-C4'-P energy: -18.540
tors. eta vs tors. theta energy: -50.748
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: 4, replica: 6
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -523.275167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.275167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.275167 (E_RNA)
where:
Base-Base interactions energy: -363.813
where: short stacking energy: -158.819
Base-Backbone interact. energy: 0.847
local terms energy: -160.308500
where:
bonds (distance) C4'-P energy: -33.124
bonds (distance) P-C4' energy: -28.101
flat angles C4'-P-C4' energy: -32.978
flat angles P-C4'-P energy: -21.696
tors. eta vs tors. theta energy: -44.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -532.769694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.769694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.769694 (E_RNA)
where:
Base-Base interactions energy: -377.777
where: short stacking energy: -151.974
Base-Backbone interact. energy: -1.323
local terms energy: -153.669507
where:
bonds (distance) C4'-P energy: -27.337
bonds (distance) P-C4' energy: -30.017
flat angles C4'-P-C4' energy: -28.761
flat angles P-C4'-P energy: -21.406
tors. eta vs tors. theta energy: -46.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -521.596671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.596671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.596671 (E_RNA)
where:
Base-Base interactions energy: -364.687
where: short stacking energy: -157.664
Base-Backbone interact. energy: -0.492
local terms energy: -156.417556
where:
bonds (distance) C4'-P energy: -30.184
bonds (distance) P-C4' energy: -23.713
flat angles C4'-P-C4' energy: -29.210
flat angles P-C4'-P energy: -26.485
tors. eta vs tors. theta energy: -46.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -483.679679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.679679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.679679 (E_RNA)
where:
Base-Base interactions energy: -326.700
where: short stacking energy: -164.783
Base-Backbone interact. energy: -0.558
local terms energy: -156.422174
where:
bonds (distance) C4'-P energy: -29.505
bonds (distance) P-C4' energy: -28.491
flat angles C4'-P-C4' energy: -34.980
flat angles P-C4'-P energy: -21.602
tors. eta vs tors. theta energy: -41.844
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: 3
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -432.486693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.486693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.486693 (E_RNA)
where:
Base-Base interactions energy: -301.876
where: short stacking energy: -128.922
Base-Backbone interact. energy: -0.318
local terms energy: -130.292899
where:
bonds (distance) C4'-P energy: -20.274
bonds (distance) P-C4' energy: -31.452
flat angles C4'-P-C4' energy: -31.394
flat angles P-C4'-P energy: -17.968
tors. eta vs tors. theta energy: -29.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -362.563644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.563644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.563644 (E_RNA)
where:
Base-Base interactions energy: -232.888
where: short stacking energy: -114.010
Base-Backbone interact. energy: -0.211
local terms energy: -129.464087
where:
bonds (distance) C4'-P energy: -22.638
bonds (distance) P-C4' energy: -26.825
flat angles C4'-P-C4' energy: -25.118
flat angles P-C4'-P energy: -20.127
tors. eta vs tors. theta energy: -34.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -298.551028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.551028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.551028 (E_RNA)
where:
Base-Base interactions energy: -180.205
where: short stacking energy: -86.491
Base-Backbone interact. energy: -0.355
local terms energy: -117.991513
where:
bonds (distance) C4'-P energy: -30.997
bonds (distance) P-C4' energy: -16.510
flat angles C4'-P-C4' energy: -30.602
flat angles P-C4'-P energy: -19.453
tors. eta vs tors. theta energy: -20.429
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: 2
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -583.718447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.718447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.718447 (E_RNA)
where:
Base-Base interactions energy: -399.045
where: short stacking energy: -179.386
Base-Backbone interact. energy: -1.136
local terms energy: -183.537676
where:
bonds (distance) C4'-P energy: -31.844
bonds (distance) P-C4' energy: -33.285
flat angles C4'-P-C4' energy: -36.509
flat angles P-C4'-P energy: -30.036
tors. eta vs tors. theta energy: -51.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -569.405272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.405272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.405272 (E_RNA)
where:
Base-Base interactions energy: -390.815
where: short stacking energy: -168.554
Base-Backbone interact. energy: -0.379
local terms energy: -178.211073
where:
bonds (distance) C4'-P energy: -32.121
bonds (distance) P-C4' energy: -33.420
flat angles C4'-P-C4' energy: -36.701
flat angles P-C4'-P energy: -24.163
tors. eta vs tors. theta energy: -51.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -556.383325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.383325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.383325 (E_RNA)
where:
Base-Base interactions energy: -385.659
where: short stacking energy: -177.617
Base-Backbone interact. energy: 0.401
local terms energy: -171.125101
where:
bonds (distance) C4'-P energy: -34.830
bonds (distance) P-C4' energy: -29.608
flat angles C4'-P-C4' energy: -36.186
flat angles P-C4'-P energy: -24.067
tors. eta vs tors. theta energy: -46.435
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: 191
Temperature: 1.050000
Total energy: -529.317498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.317498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.317498 (E_RNA)
where:
Base-Base interactions energy: -361.123
where: short stacking energy: -138.874
Base-Backbone interact. energy: -1.297
local terms energy: -166.897601
where:
bonds (distance) C4'-P energy: -32.652
bonds (distance) P-C4' energy: -33.457
flat angles C4'-P-C4' energy: -37.609
flat angles P-C4'-P energy: -22.177
tors. eta vs tors. theta energy: -41.002
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: 6
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -492.784517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.784517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.784517 (E_RNA)
where:
Base-Base interactions energy: -338.523
where: short stacking energy: -152.796
Base-Backbone interact. energy: -0.538
local terms energy: -153.723669
where:
bonds (distance) C4'-P energy: -22.705
bonds (distance) P-C4' energy: -34.210
flat angles C4'-P-C4' energy: -35.024
flat angles P-C4'-P energy: -22.409
tors. eta vs tors. theta energy: -39.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -521.185387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.185387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.185387 (E_RNA)
where:
Base-Base interactions energy: -367.708
where: short stacking energy: -167.021
Base-Backbone interact. energy: -1.997
local terms energy: -151.480391
where:
bonds (distance) C4'-P energy: -28.379
bonds (distance) P-C4' energy: -23.310
flat angles C4'-P-C4' energy: -35.497
flat angles P-C4'-P energy: -18.250
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: 7, replica: 4
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -464.387061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.387061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.387061 (E_RNA)
where:
Base-Base interactions energy: -323.870
where: short stacking energy: -154.768
Base-Backbone interact. energy: -0.301
local terms energy: -140.215643
where:
bonds (distance) C4'-P energy: -23.755
bonds (distance) P-C4' energy: -30.710
flat angles C4'-P-C4' energy: -31.905
flat angles P-C4'-P energy: -14.602
tors. eta vs tors. theta energy: -39.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -428.917569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.917569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.917569 (E_RNA)
where:
Base-Base interactions energy: -294.740
where: short stacking energy: -134.289
Base-Backbone interact. energy: -0.895
local terms energy: -133.282737
where:
bonds (distance) C4'-P energy: -25.143
bonds (distance) P-C4' energy: -24.112
flat angles C4'-P-C4' energy: -29.560
flat angles P-C4'-P energy: -17.562
tors. eta vs tors. theta energy: -36.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -375.801526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.801526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.801526 (E_RNA)
where:
Base-Base interactions energy: -249.010
where: short stacking energy: -119.295
Base-Backbone interact. energy: -1.058
local terms energy: -125.733076
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -19.604
flat angles C4'-P-C4' energy: -38.486
flat angles P-C4'-P energy: -21.894
tors. eta vs tors. theta energy: -28.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -277.792616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.792616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.792616 (E_RNA)
where:
Base-Base interactions energy: -177.122
where: short stacking energy: -87.821
Base-Backbone interact. energy: 0.291
local terms energy: -100.961588
where:
bonds (distance) C4'-P energy: -21.374
bonds (distance) P-C4' energy: -26.343
flat angles C4'-P-C4' energy: -24.597
flat angles P-C4'-P energy: -14.585
tors. eta vs tors. theta energy: -14.062
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: 2
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -587.227305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.227305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.227305 (E_RNA)
where:
Base-Base interactions energy: -410.731
where: short stacking energy: -171.598
Base-Backbone interact. energy: -0.531
local terms energy: -175.965572
where:
bonds (distance) C4'-P energy: -31.343
bonds (distance) P-C4' energy: -30.443
flat angles C4'-P-C4' energy: -34.688
flat angles P-C4'-P energy: -27.544
tors. eta vs tors. theta energy: -51.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -575.464808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.464808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.464808 (E_RNA)
where:
Base-Base interactions energy: -405.654
where: short stacking energy: -161.504
Base-Backbone interact. energy: -0.548
local terms energy: -169.262908
where:
bonds (distance) C4'-P energy: -33.651
bonds (distance) P-C4' energy: -31.733
flat angles C4'-P-C4' energy: -34.664
flat angles P-C4'-P energy: -24.196
tors. eta vs tors. theta energy: -45.020
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: 192
Temperature: 1.000000
Total energy: -531.120995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.120995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.120995 (E_RNA)
where:
Base-Base interactions energy: -380.745
where: short stacking energy: -156.454
Base-Backbone interact. energy: -1.730
local terms energy: -148.645395
where:
bonds (distance) C4'-P energy: -28.893
bonds (distance) P-C4' energy: -25.682
flat angles C4'-P-C4' energy: -35.409
flat angles P-C4'-P energy: -17.778
tors. eta vs tors. theta energy: -40.882
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: 1
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -542.125585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.125585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.125585 (E_RNA)
where:
Base-Base interactions energy: -388.561
where: short stacking energy: -166.523
Base-Backbone interact. energy: -0.160
local terms energy: -153.405138
where:
bonds (distance) C4'-P energy: -23.765
bonds (distance) P-C4' energy: -28.244
flat angles C4'-P-C4' energy: -31.548
flat angles P-C4'-P energy: -19.379
tors. eta vs tors. theta energy: -50.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -520.643865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.643865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.643865 (E_RNA)
where:
Base-Base interactions energy: -362.848
where: short stacking energy: -169.317
Base-Backbone interact. energy: -0.213
local terms energy: -157.583346
where:
bonds (distance) C4'-P energy: -29.737
bonds (distance) P-C4' energy: -27.268
flat angles C4'-P-C4' energy: -33.204
flat angles P-C4'-P energy: -19.033
tors. eta vs tors. theta energy: -48.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -508.087049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.087049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.087049 (E_RNA)
where:
Base-Base interactions energy: -346.528
where: short stacking energy: -145.797
Base-Backbone interact. energy: -0.275
local terms energy: -161.284517
where:
bonds (distance) C4'-P energy: -30.595
bonds (distance) P-C4' energy: -31.294
flat angles C4'-P-C4' energy: -32.050
flat angles P-C4'-P energy: -23.614
tors. eta vs tors. theta energy: -43.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -465.970364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.970364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.970364 (E_RNA)
where:
Base-Base interactions energy: -309.645
where: short stacking energy: -135.755
Base-Backbone interact. energy: -0.274
local terms energy: -156.050937
where:
bonds (distance) C4'-P energy: -30.501
bonds (distance) P-C4' energy: -35.081
flat angles C4'-P-C4' energy: -35.586
flat angles P-C4'-P energy: -14.870
tors. eta vs tors. theta energy: -40.013
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: 3
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -415.710675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.710675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.710675 (E_RNA)
where:
Base-Base interactions energy: -281.787
where: short stacking energy: -123.693
Base-Backbone interact. energy: 0.062
local terms energy: -133.985990
where:
bonds (distance) C4'-P energy: -34.002
bonds (distance) P-C4' energy: -28.092
flat angles C4'-P-C4' energy: -29.926
flat angles P-C4'-P energy: -16.726
tors. eta vs tors. theta energy: -25.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -361.842647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.842647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.842647 (E_RNA)
where:
Base-Base interactions energy: -250.678
where: short stacking energy: -116.812
Base-Backbone interact. energy: -0.213
local terms energy: -110.952043
where:
bonds (distance) C4'-P energy: -20.981
bonds (distance) P-C4' energy: -20.640
flat angles C4'-P-C4' energy: -26.483
flat angles P-C4'-P energy: -19.036
tors. eta vs tors. theta energy: -23.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -360.190733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.190733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.190733 (E_RNA)
where:
Base-Base interactions energy: -246.320
where: short stacking energy: -108.174
Base-Backbone interact. energy: -0.831
local terms energy: -113.040328
where:
bonds (distance) C4'-P energy: -29.478
bonds (distance) P-C4' energy: -24.405
flat angles C4'-P-C4' energy: -26.399
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -21.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -588.490922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.490922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.490922 (E_RNA)
where:
Base-Base interactions energy: -404.843
where: short stacking energy: -176.044
Base-Backbone interact. energy: -2.251
local terms energy: -181.397771
where:
bonds (distance) C4'-P energy: -26.764
bonds (distance) P-C4' energy: -39.865
flat angles C4'-P-C4' energy: -33.218
flat angles P-C4'-P energy: -30.445
tors. eta vs tors. theta energy: -51.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -571.831067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.831067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.831067 (E_RNA)
where:
Base-Base interactions energy: -399.347
where: short stacking energy: -170.956
Base-Backbone interact. energy: -0.214
local terms energy: -172.269979
where:
bonds (distance) C4'-P energy: -33.586
bonds (distance) P-C4' energy: -26.585
flat angles C4'-P-C4' energy: -36.888
flat angles P-C4'-P energy: -27.550
tors. eta vs tors. theta energy: -47.661
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: 7
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -539.467031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.467031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.467031 (E_RNA)
where:
Base-Base interactions energy: -377.733
where: short stacking energy: -147.656
Base-Backbone interact. energy: -0.624
local terms energy: -161.110189
where:
bonds (distance) C4'-P energy: -33.274
bonds (distance) P-C4' energy: -31.719
flat angles C4'-P-C4' energy: -35.727
flat angles P-C4'-P energy: -23.604
tors. eta vs tors. theta energy: -36.786
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: 4, replica: 6
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -538.708087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.708087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.708087 (E_RNA)
where:
Base-Base interactions energy: -379.432
where: short stacking energy: -179.009
Base-Backbone interact. energy: 0.347
local terms energy: -159.623426
where:
bonds (distance) C4'-P energy: -32.011
bonds (distance) P-C4' energy: -27.199
flat angles C4'-P-C4' energy: -30.802
flat angles P-C4'-P energy: -16.479
tors. eta vs tors. theta energy: -53.132
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: 1
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -533.167457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.167457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.167457 (E_RNA)
where:
Base-Base interactions energy: -369.388
where: short stacking energy: -154.222
Base-Backbone interact. energy: -0.446
local terms energy: -163.333674
where:
bonds (distance) C4'-P energy: -28.637
bonds (distance) P-C4' energy: -32.686
flat angles C4'-P-C4' energy: -35.295
flat angles P-C4'-P energy: -23.036
tors. eta vs tors. theta energy: -43.680
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: 6, replica: 4
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -503.128738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.128738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.128738 (E_RNA)
where:
Base-Base interactions energy: -342.345
where: short stacking energy: -161.634
Base-Backbone interact. energy: 0.164
local terms energy: -160.948008
where:
bonds (distance) C4'-P energy: -33.459
bonds (distance) P-C4' energy: -30.251
flat angles C4'-P-C4' energy: -31.348
flat angles P-C4'-P energy: -18.248
tors. eta vs tors. theta energy: -47.642
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: 8
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -504.880346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.880346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.880346 (E_RNA)
where:
Base-Base interactions energy: -352.707
where: short stacking energy: -148.855
Base-Backbone interact. energy: -0.732
local terms energy: -151.440992
where:
bonds (distance) C4'-P energy: -27.867
bonds (distance) P-C4' energy: -31.132
flat angles C4'-P-C4' energy: -30.796
flat angles P-C4'-P energy: -18.060
tors. eta vs tors. theta energy: -43.585
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: 3
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -417.223154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.223154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.223154 (E_RNA)
where:
Base-Base interactions energy: -285.531
where: short stacking energy: -132.693
Base-Backbone interact. energy: -0.028
local terms energy: -131.664421
where:
bonds (distance) C4'-P energy: -31.251
bonds (distance) P-C4' energy: -22.679
flat angles C4'-P-C4' energy: -30.050
flat angles P-C4'-P energy: -16.188
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: 9, replica: 10
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -398.260087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.260087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.260087 (E_RNA)
where:
Base-Base interactions energy: -275.100
where: short stacking energy: -122.119
Base-Backbone interact. energy: -1.525
local terms energy: -121.634524
where:
bonds (distance) C4'-P energy: -18.971
bonds (distance) P-C4' energy: -32.259
flat angles C4'-P-C4' energy: -33.238
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -25.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -335.671790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.671790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.671790 (E_RNA)
where:
Base-Base interactions energy: -220.876
where: short stacking energy: -97.630
Base-Backbone interact. energy: -0.651
local terms energy: -114.145172
where:
bonds (distance) C4'-P energy: -26.037
bonds (distance) P-C4' energy: -28.642
flat angles C4'-P-C4' energy: -18.985
flat angles P-C4'-P energy: -16.867
tors. eta vs tors. theta energy: -23.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -582.161963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.161963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.161963 (E_RNA)
where:
Base-Base interactions energy: -405.054
where: short stacking energy: -181.003
Base-Backbone interact. energy: -0.095
local terms energy: -177.012460
where:
bonds (distance) C4'-P energy: -32.995
bonds (distance) P-C4' energy: -30.060
flat angles C4'-P-C4' energy: -37.254
flat angles P-C4'-P energy: -22.125
tors. eta vs tors. theta energy: -54.577
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: 194
Temperature: 0.950000
Total energy: -577.470666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.470666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.470666 (E_RNA)
where:
Base-Base interactions energy: -398.414
where: short stacking energy: -169.622
Base-Backbone interact. energy: -0.938
local terms energy: -178.118929
where:
bonds (distance) C4'-P energy: -36.408
bonds (distance) P-C4' energy: -32.232
flat angles C4'-P-C4' energy: -31.434
flat angles P-C4'-P energy: -24.688
tors. eta vs tors. theta energy: -53.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -549.255433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.255433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.255433 (E_RNA)
where:
Base-Base interactions energy: -382.199
where: short stacking energy: -162.948
Base-Backbone interact. energy: -0.515
local terms energy: -166.540823
where:
bonds (distance) C4'-P energy: -27.796
bonds (distance) P-C4' energy: -37.096
flat angles C4'-P-C4' energy: -35.447
flat angles P-C4'-P energy: -22.721
tors. eta vs tors. theta energy: -43.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -549.689207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.689207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.689207 (E_RNA)
where:
Base-Base interactions energy: -378.742
where: short stacking energy: -180.730
Base-Backbone interact. energy: -0.013
local terms energy: -170.935004
where:
bonds (distance) C4'-P energy: -28.699
bonds (distance) P-C4' energy: -28.207
flat angles C4'-P-C4' energy: -31.583
flat angles P-C4'-P energy: -25.949
tors. eta vs tors. theta energy: -56.497
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: 1
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -530.701006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.701006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.701006 (E_RNA)
where:
Base-Base interactions energy: -369.587
where: short stacking energy: -169.918
Base-Backbone interact. energy: 0.193
local terms energy: -161.307461
where:
bonds (distance) C4'-P energy: -27.150
bonds (distance) P-C4' energy: -35.538
flat angles C4'-P-C4' energy: -27.730
flat angles P-C4'-P energy: -24.612
tors. eta vs tors. theta energy: -46.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -464.716451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.716451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.716451 (E_RNA)
where:
Base-Base interactions energy: -318.076
where: short stacking energy: -149.532
Base-Backbone interact. energy: -0.846
local terms energy: -145.794253
where:
bonds (distance) C4'-P energy: -33.748
bonds (distance) P-C4' energy: -26.591
flat angles C4'-P-C4' energy: -31.888
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -40.394
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: 194
Temperature: 1.200000
Total energy: -490.696680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.696680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.696680 (E_RNA)
where:
Base-Base interactions energy: -349.881
where: short stacking energy: -142.030
Base-Backbone interact. energy: 1.097
local terms energy: -141.912861
where:
bonds (distance) C4'-P energy: -29.136
bonds (distance) P-C4' energy: -25.161
flat angles C4'-P-C4' energy: -30.694
flat angles P-C4'-P energy: -19.935
tors. eta vs tors. theta energy: -36.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -459.026592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.026592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.026592 (E_RNA)
where:
Base-Base interactions energy: -321.558
where: short stacking energy: -136.642
Base-Backbone interact. energy: -0.263
local terms energy: -137.205846
where:
bonds (distance) C4'-P energy: -20.658
bonds (distance) P-C4' energy: -27.166
flat angles C4'-P-C4' energy: -30.384
flat angles P-C4'-P energy: -21.370
tors. eta vs tors. theta energy: -37.628
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: 194
Temperature: 1.300000
Total energy: -437.360149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.360149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.360149 (E_RNA)
where:
Base-Base interactions energy: -295.146
where: short stacking energy: -120.747
Base-Backbone interact. energy: -0.636
local terms energy: -141.578419
where:
bonds (distance) C4'-P energy: -23.760
bonds (distance) P-C4' energy: -33.202
flat angles C4'-P-C4' energy: -27.964
flat angles P-C4'-P energy: -21.360
tors. eta vs tors. theta energy: -35.293
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: 194
Temperature: 1.350000
Total energy: -320.910595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.910595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.910595 (E_RNA)
where:
Base-Base interactions energy: -206.731
where: short stacking energy: -110.759
Base-Backbone interact. energy: -0.120
local terms energy: -114.059529
where:
bonds (distance) C4'-P energy: -27.983
bonds (distance) P-C4' energy: -27.782
flat angles C4'-P-C4' energy: -20.579
flat angles P-C4'-P energy: -14.384
tors. eta vs tors. theta energy: -23.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -579.596889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.596889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.596889 (E_RNA)
where:
Base-Base interactions energy: -397.949
where: short stacking energy: -175.537
Base-Backbone interact. energy: -0.112
local terms energy: -181.535413
where:
bonds (distance) C4'-P energy: -33.066
bonds (distance) P-C4' energy: -33.645
flat angles C4'-P-C4' energy: -39.104
flat angles P-C4'-P energy: -22.651
tors. eta vs tors. theta energy: -53.070
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: 2, replica: 7
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -567.460194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.460194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.460194 (E_RNA)
where:
Base-Base interactions energy: -401.075
where: short stacking energy: -164.062
Base-Backbone interact. energy: -0.615
local terms energy: -165.770097
where:
bonds (distance) C4'-P energy: -30.623
bonds (distance) P-C4' energy: -31.539
flat angles C4'-P-C4' energy: -35.242
flat angles P-C4'-P energy: -19.438
tors. eta vs tors. theta energy: -48.928
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: 3, replica: 2
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -573.861618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.861618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.861618 (E_RNA)
where:
Base-Base interactions energy: -395.282
where: short stacking energy: -186.551
Base-Backbone interact. energy: -1.317
local terms energy: -177.262209
where:
bonds (distance) C4'-P energy: -28.255
bonds (distance) P-C4' energy: -35.783
flat angles C4'-P-C4' energy: -37.364
flat angles P-C4'-P energy: -25.163
tors. eta vs tors. theta energy: -50.697
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: 6
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -543.761522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.761522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.761522 (E_RNA)
where:
Base-Base interactions energy: -378.064
where: short stacking energy: -179.565
Base-Backbone interact. energy: -0.003
local terms energy: -165.694053
where:
bonds (distance) C4'-P energy: -21.399
bonds (distance) P-C4' energy: -32.189
flat angles C4'-P-C4' energy: -34.016
flat angles P-C4'-P energy: -25.653
tors. eta vs tors. theta energy: -52.437
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: 1
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -548.534603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.534603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.534603 (E_RNA)
where:
Base-Base interactions energy: -380.323
where: short stacking energy: -163.405
Base-Backbone interact. energy: 0.154
local terms energy: -168.365956
where:
bonds (distance) C4'-P energy: -37.086
bonds (distance) P-C4' energy: -32.709
flat angles C4'-P-C4' energy: -35.851
flat angles P-C4'-P energy: -16.041
tors. eta vs tors. theta energy: -46.679
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: 8
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -514.750291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.750291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.750291 (E_RNA)
where:
Base-Base interactions energy: -368.614
where: short stacking energy: -164.394
Base-Backbone interact. energy: -0.179
local terms energy: -145.958015
where:
bonds (distance) C4'-P energy: -32.922
bonds (distance) P-C4' energy: -25.609
flat angles C4'-P-C4' energy: -28.340
flat angles P-C4'-P energy: -18.154
tors. eta vs tors. theta energy: -40.932
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: 4
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -420.282154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.282154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.282154 (E_RNA)
where:
Base-Base interactions energy: -293.705
where: short stacking energy: -128.974
Base-Backbone interact. energy: -0.471
local terms energy: -126.105683
where:
bonds (distance) C4'-P energy: -23.242
bonds (distance) P-C4' energy: -23.405
flat angles C4'-P-C4' energy: -30.380
flat angles P-C4'-P energy: -21.681
tors. eta vs tors. theta energy: -27.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -453.169414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.169414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.169414 (E_RNA)
where:
Base-Base interactions energy: -318.164
where: short stacking energy: -139.295
Base-Backbone interact. energy: -0.687
local terms energy: -134.318401
where:
bonds (distance) C4'-P energy: -19.732
bonds (distance) P-C4' energy: -28.282
flat angles C4'-P-C4' energy: -30.851
flat angles P-C4'-P energy: -22.124
tors. eta vs tors. theta energy: -33.330
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: 10
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -418.710137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.710137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.710137 (E_RNA)
where:
Base-Base interactions energy: -294.772
where: short stacking energy: -122.518
Base-Backbone interact. energy: -0.429
local terms energy: -123.509578
where:
bonds (distance) C4'-P energy: -23.771
bonds (distance) P-C4' energy: -27.799
flat angles C4'-P-C4' energy: -22.419
flat angles P-C4'-P energy: -18.473
tors. eta vs tors. theta energy: -31.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -325.373627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.373627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.373627 (E_RNA)
where:
Base-Base interactions energy: -211.346
where: short stacking energy: -103.964
Base-Backbone interact. energy: -0.879
local terms energy: -113.148412
where:
bonds (distance) C4'-P energy: -27.621
bonds (distance) P-C4' energy: -25.556
flat angles C4'-P-C4' energy: -25.011
flat angles P-C4'-P energy: -17.930
tors. eta vs tors. theta energy: -17.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -580.188520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.188520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.188520 (E_RNA)
where:
Base-Base interactions energy: -404.988
where: short stacking energy: -180.928
Base-Backbone interact. energy: 2.049
local terms energy: -177.248927
where:
bonds (distance) C4'-P energy: -34.365
bonds (distance) P-C4' energy: -30.019
flat angles C4'-P-C4' energy: -39.575
flat angles P-C4'-P energy: -23.496
tors. eta vs tors. theta energy: -49.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -555.503706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.503706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.503706 (E_RNA)
where:
Base-Base interactions energy: -390.051
where: short stacking energy: -160.028
Base-Backbone interact. energy: -0.711
local terms energy: -164.741653
where:
bonds (distance) C4'-P energy: -28.283
bonds (distance) P-C4' energy: -32.150
flat angles C4'-P-C4' energy: -34.843
flat angles P-C4'-P energy: -22.765
tors. eta vs tors. theta energy: -46.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -572.233817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.233817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.233817 (E_RNA)
where:
Base-Base interactions energy: -400.548
where: short stacking energy: -177.898
Base-Backbone interact. energy: -0.237
local terms energy: -171.448996
where:
bonds (distance) C4'-P energy: -35.985
bonds (distance) P-C4' energy: -29.974
flat angles C4'-P-C4' energy: -34.675
flat angles P-C4'-P energy: -21.414
tors. eta vs tors. theta energy: -49.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -534.838953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.838953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.838953 (E_RNA)
where:
Base-Base interactions energy: -376.615
where: short stacking energy: -184.519
Base-Backbone interact. energy: -0.360
local terms energy: -157.863999
where:
bonds (distance) C4'-P energy: -25.729
bonds (distance) P-C4' energy: -27.403
flat angles C4'-P-C4' energy: -34.780
flat angles P-C4'-P energy: -19.494
tors. eta vs tors. theta energy: -50.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -528.076918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.076918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.076918 (E_RNA)
where:
Base-Base interactions energy: -369.658
where: short stacking energy: -152.851
Base-Backbone interact. energy: -0.547
local terms energy: -157.872220
where:
bonds (distance) C4'-P energy: -31.576
bonds (distance) P-C4' energy: -33.082
flat angles C4'-P-C4' energy: -33.006
flat angles P-C4'-P energy: -21.505
tors. eta vs tors. theta energy: -38.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -533.678053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.678053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.678053 (E_RNA)
where:
Base-Base interactions energy: -374.951
where: short stacking energy: -160.947
Base-Backbone interact. energy: -1.097
local terms energy: -157.629786
where:
bonds (distance) C4'-P energy: -28.414
bonds (distance) P-C4' energy: -26.931
flat angles C4'-P-C4' energy: -36.636
flat angles P-C4'-P energy: -20.833
tors. eta vs tors. theta energy: -44.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -453.716072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.716072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.716072 (E_RNA)
where:
Base-Base interactions energy: -315.385
where: short stacking energy: -137.112
Base-Backbone interact. energy: -1.155
local terms energy: -137.176399
where:
bonds (distance) C4'-P energy: -22.717
bonds (distance) P-C4' energy: -26.126
flat angles C4'-P-C4' energy: -27.901
flat angles P-C4'-P energy: -25.257
tors. eta vs tors. theta energy: -35.175
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: 8, replica: 4
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -414.389436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.389436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.389436 (E_RNA)
where:
Base-Base interactions energy: -281.819
where: short stacking energy: -115.652
Base-Backbone interact. energy: -0.594
local terms energy: -131.976425
where:
bonds (distance) C4'-P energy: -23.650
bonds (distance) P-C4' energy: -21.786
flat angles C4'-P-C4' energy: -29.719
flat angles P-C4'-P energy: -24.119
tors. eta vs tors. theta energy: -32.702
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: 10
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -422.266658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.266658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.266658 (E_RNA)
where:
Base-Base interactions energy: -276.059
where: short stacking energy: -114.364
Base-Backbone interact. energy: 0.110
local terms energy: -146.318338
where:
bonds (distance) C4'-P energy: -25.142
bonds (distance) P-C4' energy: -35.357
flat angles C4'-P-C4' energy: -30.516
flat angles P-C4'-P energy: -22.113
tors. eta vs tors. theta energy: -33.190
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: 196
Temperature: 1.350000
Total energy: -307.318126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.318126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.318126 (E_RNA)
where:
Base-Base interactions energy: -198.620
where: short stacking energy: -92.847
Base-Backbone interact. energy: -1.005
local terms energy: -107.692185
where:
bonds (distance) C4'-P energy: -28.025
bonds (distance) P-C4' energy: -28.430
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -17.158
tors. eta vs tors. theta energy: -17.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -586.743832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.743832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.743832 (E_RNA)
where:
Base-Base interactions energy: -399.359
where: short stacking energy: -185.312
Base-Backbone interact. energy: 0.572
local terms energy: -187.957328
where:
bonds (distance) C4'-P energy: -35.683
bonds (distance) P-C4' energy: -33.714
flat angles C4'-P-C4' energy: -35.265
flat angles P-C4'-P energy: -27.658
tors. eta vs tors. theta energy: -55.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -580.257007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.257007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.257007 (E_RNA)
where:
Base-Base interactions energy: -411.577
where: short stacking energy: -175.326
Base-Backbone interact. energy: 0.788
local terms energy: -169.468077
where:
bonds (distance) C4'-P energy: -31.049
bonds (distance) P-C4' energy: -27.296
flat angles C4'-P-C4' energy: -35.557
flat angles P-C4'-P energy: -25.547
tors. eta vs tors. theta energy: -50.020
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: 197
Temperature: 1.000000
Total energy: -541.303573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.303573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.303573 (E_RNA)
where:
Base-Base interactions energy: -397.272
where: short stacking energy: -166.276
Base-Backbone interact. energy: -1.110
local terms energy: -142.922453
where:
bonds (distance) C4'-P energy: -24.218
bonds (distance) P-C4' energy: -26.304
flat angles C4'-P-C4' energy: -36.690
flat angles P-C4'-P energy: -14.280
tors. eta vs tors. theta energy: -41.431
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: 8
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -550.194333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.194333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.194333 (E_RNA)
where:
Base-Base interactions energy: -382.728
where: short stacking energy: -161.434
Base-Backbone interact. energy: -0.975
local terms energy: -166.491282
where:
bonds (distance) C4'-P energy: -26.669
bonds (distance) P-C4' energy: -31.481
flat angles C4'-P-C4' energy: -31.608
flat angles P-C4'-P energy: -26.641
tors. eta vs tors. theta energy: -50.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -521.043096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.043096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.043096 (E_RNA)
where:
Base-Base interactions energy: -356.254
where: short stacking energy: -167.273
Base-Backbone interact. energy: -0.619
local terms energy: -164.170565
where:
bonds (distance) C4'-P energy: -32.053
bonds (distance) P-C4' energy: -31.743
flat angles C4'-P-C4' energy: -37.533
flat angles P-C4'-P energy: -20.352
tors. eta vs tors. theta energy: -42.489
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: 1
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -519.685139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.685139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.685139 (E_RNA)
where:
Base-Base interactions energy: -362.258
where: short stacking energy: -159.479
Base-Backbone interact. energy: -0.406
local terms energy: -157.021304
where:
bonds (distance) C4'-P energy: -27.796
bonds (distance) P-C4' energy: -33.990
flat angles C4'-P-C4' energy: -30.246
flat angles P-C4'-P energy: -20.862
tors. eta vs tors. theta energy: -44.128
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: 197
Temperature: 1.200000
Total energy: -444.576368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.576368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.576368 (E_RNA)
where:
Base-Base interactions energy: -304.430
where: short stacking energy: -128.632
Base-Backbone interact. energy: -0.193
local terms energy: -139.952782
where:
bonds (distance) C4'-P energy: -32.503
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -36.970
flat angles P-C4'-P energy: -22.372
tors. eta vs tors. theta energy: -30.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -403.473785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.473785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.473785 (E_RNA)
where:
Base-Base interactions energy: -268.319
where: short stacking energy: -112.492
Base-Backbone interact. energy: -0.271
local terms energy: -134.882957
where:
bonds (distance) C4'-P energy: -26.494
bonds (distance) P-C4' energy: -31.895
flat angles C4'-P-C4' energy: -24.295
flat angles P-C4'-P energy: -24.126
tors. eta vs tors. theta energy: -28.072
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: 4
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -452.303643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.303643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.303643 (E_RNA)
where:
Base-Base interactions energy: -311.950
where: short stacking energy: -147.499
Base-Backbone interact. energy: -0.878
local terms energy: -139.475396
where:
bonds (distance) C4'-P energy: -27.473
bonds (distance) P-C4' energy: -26.683
flat angles C4'-P-C4' energy: -26.868
flat angles P-C4'-P energy: -22.388
tors. eta vs tors. theta energy: -36.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -324.916913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.916913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.916913 (E_RNA)
where:
Base-Base interactions energy: -213.486
where: short stacking energy: -92.587
Base-Backbone interact. energy: -0.368
local terms energy: -111.062813
where:
bonds (distance) C4'-P energy: -27.624
bonds (distance) P-C4' energy: -21.150
flat angles C4'-P-C4' energy: -27.424
flat angles P-C4'-P energy: -17.916
tors. eta vs tors. theta energy: -16.949
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: 2
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -582.961366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.961366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.961366 (E_RNA)
where:
Base-Base interactions energy: -401.837
where: short stacking energy: -174.629
Base-Backbone interact. energy: 0.390
local terms energy: -181.514185
where:
bonds (distance) C4'-P energy: -32.760
bonds (distance) P-C4' energy: -32.364
flat angles C4'-P-C4' energy: -34.554
flat angles P-C4'-P energy: -28.688
tors. eta vs tors. theta energy: -53.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -568.723303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.723303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.723303 (E_RNA)
where:
Base-Base interactions energy: -395.880
where: short stacking energy: -168.375
Base-Backbone interact. energy: -1.224
local terms energy: -171.619144
where:
bonds (distance) C4'-P energy: -33.103
bonds (distance) P-C4' energy: -35.287
flat angles C4'-P-C4' energy: -31.249
flat angles P-C4'-P energy: -23.488
tors. eta vs tors. theta energy: -48.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -554.231170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.231170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.231170 (E_RNA)
where:
Base-Base interactions energy: -381.142
where: short stacking energy: -160.993
Base-Backbone interact. energy: -0.888
local terms energy: -172.201209
where:
bonds (distance) C4'-P energy: -37.354
bonds (distance) P-C4' energy: -34.669
flat angles C4'-P-C4' energy: -27.889
flat angles P-C4'-P energy: -24.465
tors. eta vs tors. theta energy: -47.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -548.921673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.921673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.921673 (E_RNA)
where:
Base-Base interactions energy: -382.057
where: short stacking energy: -164.735
Base-Backbone interact. energy: -0.174
local terms energy: -166.691001
where:
bonds (distance) C4'-P energy: -33.083
bonds (distance) P-C4' energy: -33.041
flat angles C4'-P-C4' energy: -33.376
flat angles P-C4'-P energy: -22.042
tors. eta vs tors. theta energy: -45.149
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: 6
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -534.774635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.774635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.774635 (E_RNA)
where:
Base-Base interactions energy: -371.266
where: short stacking energy: -171.971
Base-Backbone interact. energy: -0.006
local terms energy: -163.502762
where:
bonds (distance) C4'-P energy: -29.883
bonds (distance) P-C4' energy: -27.727
flat angles C4'-P-C4' energy: -33.376
flat angles P-C4'-P energy: -23.221
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: 6, replica: 1
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -520.592719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.592719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.592719 (E_RNA)
where:
Base-Base interactions energy: -356.591
where: short stacking energy: -161.850
Base-Backbone interact. energy: -0.143
local terms energy: -163.857978
where:
bonds (distance) C4'-P energy: -26.053
bonds (distance) P-C4' energy: -33.481
flat angles C4'-P-C4' energy: -32.350
flat angles P-C4'-P energy: -26.312
tors. eta vs tors. theta energy: -45.662
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: 3
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -435.493165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.493165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.493165 (E_RNA)
where:
Base-Base interactions energy: -297.652
where: short stacking energy: -139.034
Base-Backbone interact. energy: -1.733
local terms energy: -136.108601
where:
bonds (distance) C4'-P energy: -25.870
bonds (distance) P-C4' energy: -24.684
flat angles C4'-P-C4' energy: -33.574
flat angles P-C4'-P energy: -23.698
tors. eta vs tors. theta energy: -28.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -381.616006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.616006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.616006 (E_RNA)
where:
Base-Base interactions energy: -245.554
where: short stacking energy: -111.973
Base-Backbone interact. energy: -3.052
local terms energy: -133.009816
where:
bonds (distance) C4'-P energy: -29.327
bonds (distance) P-C4' energy: -32.177
flat angles C4'-P-C4' energy: -33.870
flat angles P-C4'-P energy: -17.986
tors. eta vs tors. theta energy: -19.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -425.444052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.444052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.444052 (E_RNA)
where:
Base-Base interactions energy: -296.154
where: short stacking energy: -127.496
Base-Backbone interact. energy: 0.538
local terms energy: -129.828191
where:
bonds (distance) C4'-P energy: -19.368
bonds (distance) P-C4' energy: -28.363
flat angles C4'-P-C4' energy: -29.761
flat angles P-C4'-P energy: -19.804
tors. eta vs tors. theta energy: -32.533
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: 198
Temperature: 1.350000
Total energy: -318.548810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.548810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.548810 (E_RNA)
where:
Base-Base interactions energy: -205.370
where: short stacking energy: -99.681
Base-Backbone interact. energy: -0.275
local terms energy: -112.903343
where:
bonds (distance) C4'-P energy: -27.727
bonds (distance) P-C4' energy: -30.945
flat angles C4'-P-C4' energy: -27.044
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -14.506
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: 2
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -593.781545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.781545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.781545 (E_RNA)
where:
Base-Base interactions energy: -424.715
where: short stacking energy: -185.209
Base-Backbone interact. energy: -0.204
local terms energy: -168.862521
where:
bonds (distance) C4'-P energy: -32.014
bonds (distance) P-C4' energy: -23.333
flat angles C4'-P-C4' energy: -35.658
flat angles P-C4'-P energy: -24.670
tors. eta vs tors. theta energy: -53.187
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: 5
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -553.916861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.916861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.916861 (E_RNA)
where:
Base-Base interactions energy: -386.906
where: short stacking energy: -165.060
Base-Backbone interact. energy: 0.299
local terms energy: -167.310205
where:
bonds (distance) C4'-P energy: -31.463
bonds (distance) P-C4' energy: -30.168
flat angles C4'-P-C4' energy: -34.150
flat angles P-C4'-P energy: -25.520
tors. eta vs tors. theta energy: -46.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -533.005282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.005282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.005282 (E_RNA)
where:
Base-Base interactions energy: -373.618
where: short stacking energy: -155.520
Base-Backbone interact. energy: -1.636
local terms energy: -157.751487
where:
bonds (distance) C4'-P energy: -26.854
bonds (distance) P-C4' energy: -33.835
flat angles C4'-P-C4' energy: -30.361
flat angles P-C4'-P energy: -20.952
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: 4, replica: 6
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -539.681433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.681433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.681433 (E_RNA)
where:
Base-Base interactions energy: -374.535
where: short stacking energy: -182.531
Base-Backbone interact. energy: 1.468
local terms energy: -166.614820
where:
bonds (distance) C4'-P energy: -23.167
bonds (distance) P-C4' energy: -34.293
flat angles C4'-P-C4' energy: -35.519
flat angles P-C4'-P energy: -23.845
tors. eta vs tors. theta energy: -49.792
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: 8
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -537.051546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.051546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.051546 (E_RNA)
where:
Base-Base interactions energy: -381.899
where: short stacking energy: -168.504
Base-Backbone interact. energy: 2.065
local terms energy: -157.217098
where:
bonds (distance) C4'-P energy: -29.553
bonds (distance) P-C4' energy: -28.558
flat angles C4'-P-C4' energy: -33.085
flat angles P-C4'-P energy: -20.787
tors. eta vs tors. theta energy: -45.233
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: 6, replica: 1
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -509.740712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.740712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.740712 (E_RNA)
where:
Base-Base interactions energy: -352.786
where: short stacking energy: -157.446
Base-Backbone interact. energy: 2.211
local terms energy: -159.164729
where:
bonds (distance) C4'-P energy: -32.553
bonds (distance) P-C4' energy: -26.144
flat angles C4'-P-C4' energy: -31.320
flat angles P-C4'-P energy: -23.456
tors. eta vs tors. theta energy: -45.691
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: 3
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -459.231827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.231827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.231827 (E_RNA)
where:
Base-Base interactions energy: -300.123
where: short stacking energy: -129.204
Base-Backbone interact. energy: -0.741
local terms energy: -158.367682
where:
bonds (distance) C4'-P energy: -29.215
bonds (distance) P-C4' energy: -36.908
flat angles C4'-P-C4' energy: -32.109
flat angles P-C4'-P energy: -23.065
tors. eta vs tors. theta energy: -37.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -444.491026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.491026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.491026 (E_RNA)
where:
Base-Base interactions energy: -293.477
where: short stacking energy: -132.956
Base-Backbone interact. energy: -0.474
local terms energy: -150.540120
where:
bonds (distance) C4'-P energy: -30.752
bonds (distance) P-C4' energy: -31.779
flat angles C4'-P-C4' energy: -30.333
flat angles P-C4'-P energy: -21.580
tors. eta vs tors. theta energy: -36.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -383.424297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.424297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.424297 (E_RNA)
where:
Base-Base interactions energy: -281.064
where: short stacking energy: -105.653
Base-Backbone interact. energy: 2.395
local terms energy: -104.755654
where:
bonds (distance) C4'-P energy: -24.747
bonds (distance) P-C4' energy: -26.952
flat angles C4'-P-C4' energy: -18.760
flat angles P-C4'-P energy: -16.345
tors. eta vs tors. theta energy: -17.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -282.031514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.031514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.031514 (E_RNA)
where:
Base-Base interactions energy: -172.950
where: short stacking energy: -86.256
Base-Backbone interact. energy: -0.373
local terms energy: -108.708529
where:
bonds (distance) C4'-P energy: -27.932
bonds (distance) P-C4' energy: -24.208
flat angles C4'-P-C4' energy: -31.452
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: -11.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -594.605904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.605904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.605904 (E_RNA)
where:
Base-Base interactions energy: -415.791
where: short stacking energy: -174.891
Base-Backbone interact. energy: -0.305
local terms energy: -178.510422
where:
bonds (distance) C4'-P energy: -29.184
bonds (distance) P-C4' energy: -38.063
flat angles C4'-P-C4' energy: -34.685
flat angles P-C4'-P energy: -25.836
tors. eta vs tors. theta energy: -50.742
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: 5
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -555.760657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.760657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.760657 (E_RNA)
where:
Base-Base interactions energy: -389.375
where: short stacking energy: -175.373
Base-Backbone interact. energy: -0.722
local terms energy: -165.664007
where:
bonds (distance) C4'-P energy: -34.867
bonds (distance) P-C4' energy: -27.451
flat angles C4'-P-C4' energy: -34.360
flat angles P-C4'-P energy: -23.507
tors. eta vs tors. theta energy: -45.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -548.978963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.978963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.978963 (E_RNA)
where:
Base-Base interactions energy: -371.536
where: short stacking energy: -178.512
Base-Backbone interact. energy: -0.643
local terms energy: -176.799980
where:
bonds (distance) C4'-P energy: -25.890
bonds (distance) P-C4' energy: -35.842
flat angles C4'-P-C4' energy: -33.867
flat angles P-C4'-P energy: -29.561
tors. eta vs tors. theta energy: -51.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -524.381153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.381153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.381153 (E_RNA)
where:
Base-Base interactions energy: -376.711
where: short stacking energy: -157.190
Base-Backbone interact. energy: 0.141
local terms energy: -147.810628
where:
bonds (distance) C4'-P energy: -28.175
bonds (distance) P-C4' energy: -31.473
flat angles C4'-P-C4' energy: -24.965
flat angles P-C4'-P energy: -23.499
tors. eta vs tors. theta energy: -39.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -509.570432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.570432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.570432 (E_RNA)
where:
Base-Base interactions energy: -358.181
where: short stacking energy: -155.952
Base-Backbone interact. energy: -0.177
local terms energy: -151.212710
where:
bonds (distance) C4'-P energy: -28.338
bonds (distance) P-C4' energy: -29.399
flat angles C4'-P-C4' energy: -31.179
flat angles P-C4'-P energy: -20.877
tors. eta vs tors. theta energy: -41.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -519.615863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.615863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.615863 (E_RNA)
where:
Base-Base interactions energy: -363.158
where: short stacking energy: -162.494
Base-Backbone interact. energy: -0.099
local terms energy: -156.358201
where:
bonds (distance) C4'-P energy: -25.047
bonds (distance) P-C4' energy: -24.026
flat angles C4'-P-C4' energy: -36.299
flat angles P-C4'-P energy: -23.751
tors. eta vs tors. theta energy: -47.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -470.167618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.167618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.167618 (E_RNA)
where:
Base-Base interactions energy: -328.586
where: short stacking energy: -146.388
Base-Backbone interact. energy: 1.612
local terms energy: -143.192974
where:
bonds (distance) C4'-P energy: -22.343
bonds (distance) P-C4' energy: -30.568
flat angles C4'-P-C4' energy: -30.068
flat angles P-C4'-P energy: -26.450
tors. eta vs tors. theta energy: -33.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -426.973995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.973995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.973995 (E_RNA)
where:
Base-Base interactions energy: -302.835
where: short stacking energy: -143.229
Base-Backbone interact. energy: 1.185
local terms energy: -125.323464
where:
bonds (distance) C4'-P energy: -22.560
bonds (distance) P-C4' energy: -25.186
flat angles C4'-P-C4' energy: -25.136
flat angles P-C4'-P energy: -16.571
tors. eta vs tors. theta energy: -35.870
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: 10
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -384.792957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.792957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.792957 (E_RNA)
where:
Base-Base interactions energy: -263.111
where: short stacking energy: -114.779
Base-Backbone interact. energy: -0.709
local terms energy: -120.972972
where:
bonds (distance) C4'-P energy: -26.368
bonds (distance) P-C4' energy: -27.755
flat angles C4'-P-C4' energy: -21.948
flat angles P-C4'-P energy: -21.572
tors. eta vs tors. theta energy: -23.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -303.528156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.528156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.528156 (E_RNA)
where:
Base-Base interactions energy: -184.046
where: short stacking energy: -99.658
Base-Backbone interact. energy: -1.553
local terms energy: -117.928786
where:
bonds (distance) C4'-P energy: -26.234
bonds (distance) P-C4' energy: -29.747
flat angles C4'-P-C4' energy: -28.187
flat angles P-C4'-P energy: -15.955
tors. eta vs tors. theta energy: -17.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -574.120425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.120425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.120425 (E_RNA)
where:
Base-Base interactions energy: -399.567
where: short stacking energy: -174.679
Base-Backbone interact. energy: -0.037
local terms energy: -174.517255
where:
bonds (distance) C4'-P energy: -31.503
bonds (distance) P-C4' energy: -37.552
flat angles C4'-P-C4' energy: -31.976
flat angles P-C4'-P energy: -24.496
tors. eta vs tors. theta energy: -48.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -554.778776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.778776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.778776 (E_RNA)
where:
Base-Base interactions energy: -379.636
where: short stacking energy: -187.648
Base-Backbone interact. energy: -0.004
local terms energy: -175.138740
where:
bonds (distance) C4'-P energy: -35.952
bonds (distance) P-C4' energy: -27.214
flat angles C4'-P-C4' energy: -33.278
flat angles P-C4'-P energy: -25.845
tors. eta vs tors. theta energy: -52.850
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: 201
Temperature: 1.000000
Total energy: -548.642566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.642566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.642566 (E_RNA)
where:
Base-Base interactions energy: -382.764
where: short stacking energy: -159.535
Base-Backbone interact. energy: -0.309
local terms energy: -165.569787
where:
bonds (distance) C4'-P energy: -28.691
bonds (distance) P-C4' energy: -26.066
flat angles C4'-P-C4' energy: -37.434
flat angles P-C4'-P energy: -26.731
tors. eta vs tors. theta energy: -46.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -556.820805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.820805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.820805 (E_RNA)
where:
Base-Base interactions energy: -404.977
where: short stacking energy: -160.004
Base-Backbone interact. energy: -0.123
local terms energy: -151.720421
where:
bonds (distance) C4'-P energy: -28.111
bonds (distance) P-C4' energy: -31.966
flat angles C4'-P-C4' energy: -30.749
flat angles P-C4'-P energy: -22.770
tors. eta vs tors. theta energy: -38.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -523.037604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.037604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.037604 (E_RNA)
where:
Base-Base interactions energy: -361.632
where: short stacking energy: -157.354
Base-Backbone interact. energy: -0.259
local terms energy: -161.146267
where:
bonds (distance) C4'-P energy: -31.646
bonds (distance) P-C4' energy: -29.902
flat angles C4'-P-C4' energy: -35.154
flat angles P-C4'-P energy: -22.339
tors. eta vs tors. theta energy: -42.105
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: 8
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -520.172307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.172307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.172307 (E_RNA)
where:
Base-Base interactions energy: -369.256
where: short stacking energy: -152.629
Base-Backbone interact. energy: -0.915
local terms energy: -150.001211
where:
bonds (distance) C4'-P energy: -22.944
bonds (distance) P-C4' energy: -27.772
flat angles C4'-P-C4' energy: -36.993
flat angles P-C4'-P energy: -19.904
tors. eta vs tors. theta energy: -42.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -445.233229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.233229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.233229 (E_RNA)
where:
Base-Base interactions energy: -311.247
where: short stacking energy: -130.815
Base-Backbone interact. energy: -0.505
local terms energy: -133.481940
where:
bonds (distance) C4'-P energy: -24.726
bonds (distance) P-C4' energy: -29.446
flat angles C4'-P-C4' energy: -28.498
flat angles P-C4'-P energy: -14.413
tors. eta vs tors. theta energy: -36.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -412.791590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.791590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.791590 (E_RNA)
where:
Base-Base interactions energy: -274.318
where: short stacking energy: -110.455
Base-Backbone interact. energy: -1.596
local terms energy: -136.877484
where:
bonds (distance) C4'-P energy: -32.395
bonds (distance) P-C4' energy: -30.054
flat angles C4'-P-C4' energy: -29.338
flat angles P-C4'-P energy: -17.514
tors. eta vs tors. theta energy: -27.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -404.231538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.231538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.231538 (E_RNA)
where:
Base-Base interactions energy: -279.028
where: short stacking energy: -128.139
Base-Backbone interact. energy: -0.197
local terms energy: -125.006611
where:
bonds (distance) C4'-P energy: -11.708
bonds (distance) P-C4' energy: -28.227
flat angles C4'-P-C4' energy: -31.503
flat angles P-C4'-P energy: -21.521
tors. eta vs tors. theta energy: -32.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -290.258934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.258934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.258934 (E_RNA)
where:
Base-Base interactions energy: -177.442
where: short stacking energy: -91.908
Base-Backbone interact. energy: -0.071
local terms energy: -112.746759
where:
bonds (distance) C4'-P energy: -29.247
bonds (distance) P-C4' energy: -26.239
flat angles C4'-P-C4' energy: -29.171
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -18.542
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: 2
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -579.043209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.043209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.043209 (E_RNA)
where:
Base-Base interactions energy: -403.631
where: short stacking energy: -177.176
Base-Backbone interact. energy: -0.592
local terms energy: -174.819907
where:
bonds (distance) C4'-P energy: -33.431
bonds (distance) P-C4' energy: -30.613
flat angles C4'-P-C4' energy: -36.463
flat angles P-C4'-P energy: -25.905
tors. eta vs tors. theta energy: -48.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -551.554539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.554539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.554539 (E_RNA)
where:
Base-Base interactions energy: -381.023
where: short stacking energy: -176.705
Base-Backbone interact. energy: -0.286
local terms energy: -170.246262
where:
bonds (distance) C4'-P energy: -27.876
bonds (distance) P-C4' energy: -31.326
flat angles C4'-P-C4' energy: -37.015
flat angles P-C4'-P energy: -25.480
tors. eta vs tors. theta energy: -48.549
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: 202
Temperature: 1.000000
Total energy: -555.577952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.577952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.577952 (E_RNA)
where:
Base-Base interactions energy: -401.182
where: short stacking energy: -159.006
Base-Backbone interact. energy: -0.287
local terms energy: -154.109221
where:
bonds (distance) C4'-P energy: -31.696
bonds (distance) P-C4' energy: -27.726
flat angles C4'-P-C4' energy: -34.781
flat angles P-C4'-P energy: -20.978
tors. eta vs tors. theta energy: -38.928
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: 202
Temperature: 1.050000
Total energy: -529.738920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.738920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.738920 (E_RNA)
where:
Base-Base interactions energy: -370.530
where: short stacking energy: -172.436
Base-Backbone interact. energy: -0.422
local terms energy: -158.787025
where:
bonds (distance) C4'-P energy: -27.405
bonds (distance) P-C4' energy: -29.146
flat angles C4'-P-C4' energy: -33.412
flat angles P-C4'-P energy: -20.378
tors. eta vs tors. theta energy: -48.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -549.088787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.088787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.088787 (E_RNA)
where:
Base-Base interactions energy: -382.208
where: short stacking energy: -166.508
Base-Backbone interact. energy: -0.402
local terms energy: -166.478930
where:
bonds (distance) C4'-P energy: -24.557
bonds (distance) P-C4' energy: -34.383
flat angles C4'-P-C4' energy: -33.199
flat angles P-C4'-P energy: -25.316
tors. eta vs tors. theta energy: -49.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -524.536856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.536856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.536856 (E_RNA)
where:
Base-Base interactions energy: -375.446
where: short stacking energy: -151.442
Base-Backbone interact. energy: 0.447
local terms energy: -149.538272
where:
bonds (distance) C4'-P energy: -21.781
bonds (distance) P-C4' energy: -30.047
flat angles C4'-P-C4' energy: -30.281
flat angles P-C4'-P energy: -24.393
tors. eta vs tors. theta energy: -43.036
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: 10
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -450.122444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.122444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.122444 (E_RNA)
where:
Base-Base interactions energy: -319.245
where: short stacking energy: -130.199
Base-Backbone interact. energy: 1.897
local terms energy: -132.774862
where:
bonds (distance) C4'-P energy: -27.033
bonds (distance) P-C4' energy: -28.853
flat angles C4'-P-C4' energy: -28.678
flat angles P-C4'-P energy: -21.934
tors. eta vs tors. theta energy: -26.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -415.765464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.765464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.765464 (E_RNA)
where:
Base-Base interactions energy: -293.092
where: short stacking energy: -117.192
Base-Backbone interact. energy: -1.106
local terms energy: -121.567085
where:
bonds (distance) C4'-P energy: -30.557
bonds (distance) P-C4' energy: -26.618
flat angles C4'-P-C4' energy: -32.965
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -19.035
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: 4
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -368.310289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.310289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.310289 (E_RNA)
where:
Base-Base interactions energy: -251.136
where: short stacking energy: -111.808
Base-Backbone interact. energy: 1.171
local terms energy: -118.344982
where:
bonds (distance) C4'-P energy: -29.429
bonds (distance) P-C4' energy: -30.842
flat angles C4'-P-C4' energy: -28.982
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -15.725
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: 202
Temperature: 1.350000
Total energy: -252.781013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.781013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.781013 (E_RNA)
where:
Base-Base interactions energy: -155.243
where: short stacking energy: -77.268
Base-Backbone interact. energy: -0.544
local terms energy: -96.994155
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -26.106
flat angles C4'-P-C4' energy: -37.961
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -6.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -580.182659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.182659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.182659 (E_RNA)
where:
Base-Base interactions energy: -399.662
where: short stacking energy: -181.339
Base-Backbone interact. energy: 0.414
local terms energy: -180.934613
where:
bonds (distance) C4'-P energy: -27.974
bonds (distance) P-C4' energy: -40.300
flat angles C4'-P-C4' energy: -35.278
flat angles P-C4'-P energy: -27.539
tors. eta vs tors. theta energy: -49.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -576.438120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.438120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.438120 (E_RNA)
where:
Base-Base interactions energy: -411.429
where: short stacking energy: -160.796
Base-Backbone interact. energy: 0.411
local terms energy: -165.420352
where:
bonds (distance) C4'-P energy: -31.989
bonds (distance) P-C4' energy: -22.769
flat angles C4'-P-C4' energy: -37.405
flat angles P-C4'-P energy: -31.571
tors. eta vs tors. theta energy: -41.686
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: 6
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -537.180673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.180673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.180673 (E_RNA)
where:
Base-Base interactions energy: -359.027
where: short stacking energy: -162.785
Base-Backbone interact. energy: -0.069
local terms energy: -178.084788
where:
bonds (distance) C4'-P energy: -27.270
bonds (distance) P-C4' energy: -36.710
flat angles C4'-P-C4' energy: -36.527
flat angles P-C4'-P energy: -27.376
tors. eta vs tors. theta energy: -50.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -531.649681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.649681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.649681 (E_RNA)
where:
Base-Base interactions energy: -371.958
where: short stacking energy: -171.074
Base-Backbone interact. energy: -0.259
local terms energy: -159.433246
where:
bonds (distance) C4'-P energy: -23.857
bonds (distance) P-C4' energy: -35.796
flat angles C4'-P-C4' energy: -31.776
flat angles P-C4'-P energy: -26.529
tors. eta vs tors. theta energy: -41.475
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: 1
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -527.288166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.288166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.288166 (E_RNA)
where:
Base-Base interactions energy: -364.966
where: short stacking energy: -162.843
Base-Backbone interact. energy: -0.592
local terms energy: -161.729813
where:
bonds (distance) C4'-P energy: -29.784
bonds (distance) P-C4' energy: -27.509
flat angles C4'-P-C4' energy: -32.846
flat angles P-C4'-P energy: -26.803
tors. eta vs tors. theta energy: -44.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -480.549321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.549321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.549321 (E_RNA)
where:
Base-Base interactions energy: -339.288
where: short stacking energy: -142.235
Base-Backbone interact. energy: 1.311
local terms energy: -142.572402
where:
bonds (distance) C4'-P energy: -27.560
bonds (distance) P-C4' energy: -27.926
flat angles C4'-P-C4' energy: -29.021
flat angles P-C4'-P energy: -25.046
tors. eta vs tors. theta energy: -33.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -507.096274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.096274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.096274 (E_RNA)
where:
Base-Base interactions energy: -367.002
where: short stacking energy: -154.762
Base-Backbone interact. energy: -0.956
local terms energy: -139.138369
where:
bonds (distance) C4'-P energy: -21.748
bonds (distance) P-C4' energy: -27.621
flat angles C4'-P-C4' energy: -30.931
flat angles P-C4'-P energy: -16.022
tors. eta vs tors. theta energy: -42.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -381.790653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.790653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.790653 (E_RNA)
where:
Base-Base interactions energy: -251.036
where: short stacking energy: -116.481
Base-Backbone interact. energy: -0.506
local terms energy: -130.249401
where:
bonds (distance) C4'-P energy: -26.868
bonds (distance) P-C4' energy: -34.115
flat angles C4'-P-C4' energy: -25.827
flat angles P-C4'-P energy: -18.728
tors. eta vs tors. theta energy: -24.711
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: 3
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -390.116153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.116153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.116153 (E_RNA)
where:
Base-Base interactions energy: -256.774
where: short stacking energy: -117.083
Base-Backbone interact. energy: -1.958
local terms energy: -131.384179
where:
bonds (distance) C4'-P energy: -24.517
bonds (distance) P-C4' energy: -28.363
flat angles C4'-P-C4' energy: -31.430
flat angles P-C4'-P energy: -23.659
tors. eta vs tors. theta energy: -23.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -252.156946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.156946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.156946 (E_RNA)
where:
Base-Base interactions energy: -166.164
where: short stacking energy: -73.750
Base-Backbone interact. energy: 4.673
local terms energy: -90.665732
where:
bonds (distance) C4'-P energy: -25.997
bonds (distance) P-C4' energy: -32.535
flat angles C4'-P-C4' energy: -27.883
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: 3.983
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: 2
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -574.088411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.088411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.088411 (E_RNA)
where:
Base-Base interactions energy: -396.731
where: short stacking energy: -172.296
Base-Backbone interact. energy: -1.211
local terms energy: -176.145847
where:
bonds (distance) C4'-P energy: -29.060
bonds (distance) P-C4' energy: -35.869
flat angles C4'-P-C4' energy: -36.104
flat angles P-C4'-P energy: -26.846
tors. eta vs tors. theta energy: -48.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -557.372758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.372758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.372758 (E_RNA)
where:
Base-Base interactions energy: -397.130
where: short stacking energy: -159.339
Base-Backbone interact. energy: -1.135
local terms energy: -159.107753
where:
bonds (distance) C4'-P energy: -26.314
bonds (distance) P-C4' energy: -32.835
flat angles C4'-P-C4' energy: -37.073
flat angles P-C4'-P energy: -22.550
tors. eta vs tors. theta energy: -40.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -551.822761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.822761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.822761 (E_RNA)
where:
Base-Base interactions energy: -376.802
where: short stacking energy: -175.895
Base-Backbone interact. energy: -0.200
local terms energy: -174.820235
where:
bonds (distance) C4'-P energy: -31.403
bonds (distance) P-C4' energy: -33.285
flat angles C4'-P-C4' energy: -32.185
flat angles P-C4'-P energy: -27.488
tors. eta vs tors. theta energy: -50.459
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: 5
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -534.070965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.070965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.070965 (E_RNA)
where:
Base-Base interactions energy: -370.801
where: short stacking energy: -159.334
Base-Backbone interact. energy: -0.298
local terms energy: -162.972029
where:
bonds (distance) C4'-P energy: -31.587
bonds (distance) P-C4' energy: -33.619
flat angles C4'-P-C4' energy: -30.033
flat angles P-C4'-P energy: -22.048
tors. eta vs tors. theta energy: -45.686
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: 204
Temperature: 1.100000
Total energy: -529.772652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.772652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.772652 (E_RNA)
where:
Base-Base interactions energy: -370.087
where: short stacking energy: -165.572
Base-Backbone interact. energy: -0.229
local terms energy: -159.456181
where:
bonds (distance) C4'-P energy: -29.688
bonds (distance) P-C4' energy: -29.114
flat angles C4'-P-C4' energy: -29.948
flat angles P-C4'-P energy: -26.102
tors. eta vs tors. theta energy: -44.605
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: 6, replica: 10
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -475.333144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.333144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.333144 (E_RNA)
where:
Base-Base interactions energy: -327.707
where: short stacking energy: -133.388
Base-Backbone interact. energy: -0.834
local terms energy: -146.791829
where:
bonds (distance) C4'-P energy: -33.568
bonds (distance) P-C4' energy: -32.324
flat angles C4'-P-C4' energy: -28.808
flat angles P-C4'-P energy: -18.376
tors. eta vs tors. theta energy: -33.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -505.341880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.341880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.341880 (E_RNA)
where:
Base-Base interactions energy: -354.413
where: short stacking energy: -134.398
Base-Backbone interact. energy: -1.444
local terms energy: -149.484708
where:
bonds (distance) C4'-P energy: -25.484
bonds (distance) P-C4' energy: -25.406
flat angles C4'-P-C4' energy: -37.164
flat angles P-C4'-P energy: -25.032
tors. eta vs tors. theta energy: -36.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -380.365959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.365959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.365959 (E_RNA)
where:
Base-Base interactions energy: -255.176
where: short stacking energy: -120.808
Base-Backbone interact. energy: -1.001
local terms energy: -124.189001
where:
bonds (distance) C4'-P energy: -32.511
bonds (distance) P-C4' energy: -29.778
flat angles C4'-P-C4' energy: -32.641
flat angles P-C4'-P energy: -6.254
tors. eta vs tors. theta energy: -23.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -387.550522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.550522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.550522 (E_RNA)
where:
Base-Base interactions energy: -263.288
where: short stacking energy: -127.908
Base-Backbone interact. energy: 0.167
local terms energy: -124.429713
where:
bonds (distance) C4'-P energy: -19.723
bonds (distance) P-C4' energy: -33.630
flat angles C4'-P-C4' energy: -24.138
flat angles P-C4'-P energy: -15.462
tors. eta vs tors. theta energy: -31.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -288.199766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.199766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.199766 (E_RNA)
where:
Base-Base interactions energy: -175.833
where: short stacking energy: -71.124
Base-Backbone interact. energy: 1.112
local terms energy: -113.479094
where:
bonds (distance) C4'-P energy: -29.398
bonds (distance) P-C4' energy: -34.646
flat angles C4'-P-C4' energy: -25.855
flat angles P-C4'-P energy: -19.078
tors. eta vs tors. theta energy: -4.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -576.584971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.584971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.584971 (E_RNA)
where:
Base-Base interactions energy: -390.496
where: short stacking energy: -171.966
Base-Backbone interact. energy: -1.933
local terms energy: -184.156038
where:
bonds (distance) C4'-P energy: -31.261
bonds (distance) P-C4' energy: -38.048
flat angles C4'-P-C4' energy: -39.032
flat angles P-C4'-P energy: -26.862
tors. eta vs tors. theta energy: -48.952
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: 6
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -541.328215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.328215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.328215 (E_RNA)
where:
Base-Base interactions energy: -379.342
where: short stacking energy: -170.934
Base-Backbone interact. energy: -0.084
local terms energy: -161.902160
where:
bonds (distance) C4'-P energy: -29.810
bonds (distance) P-C4' energy: -27.036
flat angles C4'-P-C4' energy: -35.436
flat angles P-C4'-P energy: -20.797
tors. eta vs tors. theta energy: -48.824
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: 7
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -553.033389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.033389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.033389 (E_RNA)
where:
Base-Base interactions energy: -384.649
where: short stacking energy: -153.455
Base-Backbone interact. energy: -0.580
local terms energy: -167.804524
where:
bonds (distance) C4'-P energy: -32.848
bonds (distance) P-C4' energy: -34.824
flat angles C4'-P-C4' energy: -35.318
flat angles P-C4'-P energy: -20.894
tors. eta vs tors. theta energy: -43.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -551.330098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.330098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.330098 (E_RNA)
where:
Base-Base interactions energy: -384.859
where: short stacking energy: -168.928
Base-Backbone interact. energy: 0.927
local terms energy: -167.397889
where:
bonds (distance) C4'-P energy: -29.200
bonds (distance) P-C4' energy: -29.178
flat angles C4'-P-C4' energy: -39.091
flat angles P-C4'-P energy: -21.631
tors. eta vs tors. theta energy: -48.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -533.051628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.051628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.051628 (E_RNA)
where:
Base-Base interactions energy: -370.190
where: short stacking energy: -173.512
Base-Backbone interact. energy: 0.549
local terms energy: -163.411106
where:
bonds (distance) C4'-P energy: -34.067
bonds (distance) P-C4' energy: -26.154
flat angles C4'-P-C4' energy: -33.818
flat angles P-C4'-P energy: -22.341
tors. eta vs tors. theta energy: -47.031
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: 6, replica: 8
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -511.687952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.687952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.687952 (E_RNA)
where:
Base-Base interactions energy: -357.044
where: short stacking energy: -145.421
Base-Backbone interact. energy: -1.243
local terms energy: -153.400895
where:
bonds (distance) C4'-P energy: -32.241
bonds (distance) P-C4' energy: -28.068
flat angles C4'-P-C4' energy: -32.066
flat angles P-C4'-P energy: -22.173
tors. eta vs tors. theta energy: -38.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -487.678429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.678429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.678429 (E_RNA)
where:
Base-Base interactions energy: -344.950
where: short stacking energy: -148.918
Base-Backbone interact. energy: -0.333
local terms energy: -142.396162
where:
bonds (distance) C4'-P energy: -21.500
bonds (distance) P-C4' energy: -30.052
flat angles C4'-P-C4' energy: -30.288
flat angles P-C4'-P energy: -24.036
tors. eta vs tors. theta energy: -36.520
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: 8, replica: 4
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -403.220652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.220652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.220652 (E_RNA)
where:
Base-Base interactions energy: -274.925
where: short stacking energy: -128.591
Base-Backbone interact. energy: -0.592
local terms energy: -127.703024
where:
bonds (distance) C4'-P energy: -30.826
bonds (distance) P-C4' energy: -27.201
flat angles C4'-P-C4' energy: -26.221
flat angles P-C4'-P energy: -15.802
tors. eta vs tors. theta energy: -27.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -367.676005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.676005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.676005 (E_RNA)
where:
Base-Base interactions energy: -242.579
where: short stacking energy: -109.202
Base-Backbone interact. energy: -1.410
local terms energy: -123.686661
where:
bonds (distance) C4'-P energy: -24.078
bonds (distance) P-C4' energy: -34.250
flat angles C4'-P-C4' energy: -30.585
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -24.013
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: 205
Temperature: 1.350000
Total energy: -276.966020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.966020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.966020 (E_RNA)
where:
Base-Base interactions energy: -177.905
where: short stacking energy: -87.651
Base-Backbone interact. energy: -0.342
local terms energy: -98.719096
where:
bonds (distance) C4'-P energy: -19.284
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -28.164
flat angles P-C4'-P energy: -21.158
tors. eta vs tors. theta energy: -12.741
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: 2
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -578.886492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.886492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.886492 (E_RNA)
where:
Base-Base interactions energy: -400.884
where: short stacking energy: -184.923
Base-Backbone interact. energy: 0.358
local terms energy: -178.360244
where:
bonds (distance) C4'-P energy: -32.171
bonds (distance) P-C4' energy: -35.272
flat angles C4'-P-C4' energy: -37.557
flat angles P-C4'-P energy: -24.208
tors. eta vs tors. theta energy: -49.153
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: 2, replica: 6
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -567.332111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.332111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.332111 (E_RNA)
where:
Base-Base interactions energy: -385.681
where: short stacking energy: -189.646
Base-Backbone interact. energy: -0.064
local terms energy: -181.586884
where:
bonds (distance) C4'-P energy: -33.822
bonds (distance) P-C4' energy: -27.899
flat angles C4'-P-C4' energy: -36.041
flat angles P-C4'-P energy: -30.033
tors. eta vs tors. theta energy: -53.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -559.430361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.430361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.430361 (E_RNA)
where:
Base-Base interactions energy: -392.866
where: short stacking energy: -169.017
Base-Backbone interact. energy: -0.808
local terms energy: -165.756541
where:
bonds (distance) C4'-P energy: -25.379
bonds (distance) P-C4' energy: -32.917
flat angles C4'-P-C4' energy: -36.248
flat angles P-C4'-P energy: -25.817
tors. eta vs tors. theta energy: -45.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -536.279475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.279475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.279475 (E_RNA)
where:
Base-Base interactions energy: -372.824
where: short stacking energy: -148.138
Base-Backbone interact. energy: -1.302
local terms energy: -162.153619
where:
bonds (distance) C4'-P energy: -30.389
bonds (distance) P-C4' energy: -32.295
flat angles C4'-P-C4' energy: -35.201
flat angles P-C4'-P energy: -24.026
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: 5, replica: 8
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -522.097921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.097921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.097921 (E_RNA)
where:
Base-Base interactions energy: -381.067
where: short stacking energy: -155.705
Base-Backbone interact. energy: -1.031
local terms energy: -140.000690
where:
bonds (distance) C4'-P energy: -21.051
bonds (distance) P-C4' energy: -25.447
flat angles C4'-P-C4' energy: -32.270
flat angles P-C4'-P energy: -22.152
tors. eta vs tors. theta energy: -39.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -512.105268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.105268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.105268 (E_RNA)
where:
Base-Base interactions energy: -357.786
where: short stacking energy: -155.321
Base-Backbone interact. energy: -0.124
local terms energy: -154.194956
where:
bonds (distance) C4'-P energy: -25.975
bonds (distance) P-C4' energy: -33.679
flat angles C4'-P-C4' energy: -29.829
flat angles P-C4'-P energy: -23.492
tors. eta vs tors. theta energy: -41.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -502.041241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.041241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.041241 (E_RNA)
where:
Base-Base interactions energy: -342.135
where: short stacking energy: -162.898
Base-Backbone interact. energy: -0.110
local terms energy: -159.796867
where:
bonds (distance) C4'-P energy: -24.778
bonds (distance) P-C4' energy: -28.483
flat angles C4'-P-C4' energy: -38.078
flat angles P-C4'-P energy: -22.355
tors. eta vs tors. theta energy: -46.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -393.318496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.318496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.318496 (E_RNA)
where:
Base-Base interactions energy: -261.461
where: short stacking energy: -121.315
Base-Backbone interact. energy: -2.170
local terms energy: -129.687621
where:
bonds (distance) C4'-P energy: -22.576
bonds (distance) P-C4' energy: -28.581
flat angles C4'-P-C4' energy: -26.344
flat angles P-C4'-P energy: -18.809
tors. eta vs tors. theta energy: -33.378
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: 3
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -411.046733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.046733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.046733 (E_RNA)
where:
Base-Base interactions energy: -279.229
where: short stacking energy: -135.916
Base-Backbone interact. energy: -0.183
local terms energy: -131.635579
where:
bonds (distance) C4'-P energy: -27.369
bonds (distance) P-C4' energy: -24.834
flat angles C4'-P-C4' energy: -26.906
flat angles P-C4'-P energy: -21.728
tors. eta vs tors. theta energy: -30.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -274.815028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.815028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.815028 (E_RNA)
where:
Base-Base interactions energy: -170.725
where: short stacking energy: -84.697
Base-Backbone interact. energy: -0.766
local terms energy: -103.323928
where:
bonds (distance) C4'-P energy: -35.346
bonds (distance) P-C4' energy: -21.919
flat angles C4'-P-C4' energy: -16.807
flat angles P-C4'-P energy: -12.927
tors. eta vs tors. theta energy: -16.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -577.545090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.545090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.545090 (E_RNA)
where:
Base-Base interactions energy: -396.299
where: short stacking energy: -181.129
Base-Backbone interact. energy: 0.338
local terms energy: -181.584474
where:
bonds (distance) C4'-P energy: -30.256
bonds (distance) P-C4' energy: -35.996
flat angles C4'-P-C4' energy: -39.939
flat angles P-C4'-P energy: -26.082
tors. eta vs tors. theta energy: -49.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -558.341213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.341213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.341213 (E_RNA)
where:
Base-Base interactions energy: -382.123
where: short stacking energy: -174.038
Base-Backbone interact. energy: -0.555
local terms energy: -175.663294
where:
bonds (distance) C4'-P energy: -32.314
bonds (distance) P-C4' energy: -30.326
flat angles C4'-P-C4' energy: -41.054
flat angles P-C4'-P energy: -20.800
tors. eta vs tors. theta energy: -51.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -560.999820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.999820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.999820 (E_RNA)
where:
Base-Base interactions energy: -396.474
where: short stacking energy: -174.009
Base-Backbone interact. energy: -0.928
local terms energy: -163.597790
where:
bonds (distance) C4'-P energy: -29.878
bonds (distance) P-C4' energy: -24.578
flat angles C4'-P-C4' energy: -37.906
flat angles P-C4'-P energy: -21.790
tors. eta vs tors. theta energy: -49.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -541.289290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.289290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.289290 (E_RNA)
where:
Base-Base interactions energy: -391.815
where: short stacking energy: -146.984
Base-Backbone interact. energy: 0.316
local terms energy: -149.790322
where:
bonds (distance) C4'-P energy: -32.509
bonds (distance) P-C4' energy: -29.114
flat angles C4'-P-C4' energy: -28.260
flat angles P-C4'-P energy: -22.062
tors. eta vs tors. theta energy: -37.846
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: 8
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -535.579972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.579972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.579972 (E_RNA)
where:
Base-Base interactions energy: -370.861
where: short stacking energy: -142.365
Base-Backbone interact. energy: -0.232
local terms energy: -164.487325
where:
bonds (distance) C4'-P energy: -34.156
bonds (distance) P-C4' energy: -33.815
flat angles C4'-P-C4' energy: -34.539
flat angles P-C4'-P energy: -23.793
tors. eta vs tors. theta energy: -38.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -512.263798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.263798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.263798 (E_RNA)
where:
Base-Base interactions energy: -358.941
where: short stacking energy: -158.980
Base-Backbone interact. energy: -0.619
local terms energy: -152.704160
where:
bonds (distance) C4'-P energy: -33.670
bonds (distance) P-C4' energy: -27.220
flat angles C4'-P-C4' energy: -27.388
flat angles P-C4'-P energy: -19.553
tors. eta vs tors. theta energy: -44.872
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: 10
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -461.657921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.657921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.657921 (E_RNA)
where:
Base-Base interactions energy: -309.286
where: short stacking energy: -145.667
Base-Backbone interact. energy: -0.251
local terms energy: -152.121151
where:
bonds (distance) C4'-P energy: -29.589
bonds (distance) P-C4' energy: -33.886
flat angles C4'-P-C4' energy: -31.663
flat angles P-C4'-P energy: -20.721
tors. eta vs tors. theta energy: -36.262
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: 8, replica: 4
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -413.204104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.204104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.204104 (E_RNA)
where:
Base-Base interactions energy: -271.188
where: short stacking energy: -126.223
Base-Backbone interact. energy: -0.276
local terms energy: -141.740717
where:
bonds (distance) C4'-P energy: -27.203
bonds (distance) P-C4' energy: -30.660
flat angles C4'-P-C4' energy: -31.875
flat angles P-C4'-P energy: -23.174
tors. eta vs tors. theta energy: -28.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -391.014210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.014210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.014210 (E_RNA)
where:
Base-Base interactions energy: -260.125
where: short stacking energy: -116.292
Base-Backbone interact. energy: -0.202
local terms energy: -130.687630
where:
bonds (distance) C4'-P energy: -30.921
bonds (distance) P-C4' energy: -28.587
flat angles C4'-P-C4' energy: -28.077
flat angles P-C4'-P energy: -24.217
tors. eta vs tors. theta energy: -18.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -295.020537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.020537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.020537 (E_RNA)
where:
Base-Base interactions energy: -177.216
where: short stacking energy: -107.956
Base-Backbone interact. energy: 0.645
local terms energy: -118.449428
where:
bonds (distance) C4'-P energy: -29.320
bonds (distance) P-C4' energy: -22.334
flat angles C4'-P-C4' energy: -27.327
flat angles P-C4'-P energy: -16.010
tors. eta vs tors. theta energy: -23.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -570.017630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.017630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.017630 (E_RNA)
where:
Base-Base interactions energy: -396.851
where: short stacking energy: -180.770
Base-Backbone interact. energy: -0.063
local terms energy: -173.103629
where:
bonds (distance) C4'-P energy: -22.105
bonds (distance) P-C4' energy: -37.437
flat angles C4'-P-C4' energy: -37.833
flat angles P-C4'-P energy: -33.098
tors. eta vs tors. theta energy: -42.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -565.419621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.419621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.419621 (E_RNA)
where:
Base-Base interactions energy: -382.448
where: short stacking energy: -183.233
Base-Backbone interact. energy: -0.048
local terms energy: -182.923757
where:
bonds (distance) C4'-P energy: -31.583
bonds (distance) P-C4' energy: -33.356
flat angles C4'-P-C4' energy: -37.396
flat angles P-C4'-P energy: -27.482
tors. eta vs tors. theta energy: -53.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -559.591361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.591361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.591361 (E_RNA)
where:
Base-Base interactions energy: -406.477
where: short stacking energy: -153.647
Base-Backbone interact. energy: -0.862
local terms energy: -152.252669
where:
bonds (distance) C4'-P energy: -30.002
bonds (distance) P-C4' energy: -28.004
flat angles C4'-P-C4' energy: -31.851
flat angles P-C4'-P energy: -23.495
tors. eta vs tors. theta energy: -38.901
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: 4, replica: 5
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -555.171257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.171257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.171257 (E_RNA)
where:
Base-Base interactions energy: -383.238
where: short stacking energy: -170.021
Base-Backbone interact. energy: -0.470
local terms energy: -171.463591
where:
bonds (distance) C4'-P energy: -30.325
bonds (distance) P-C4' energy: -30.045
flat angles C4'-P-C4' energy: -34.597
flat angles P-C4'-P energy: -24.761
tors. eta vs tors. theta energy: -51.735
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: 1
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -518.035112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.035112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.035112 (E_RNA)
where:
Base-Base interactions energy: -370.820
where: short stacking energy: -159.799
Base-Backbone interact. energy: -1.252
local terms energy: -145.963709
where:
bonds (distance) C4'-P energy: -25.229
bonds (distance) P-C4' energy: -28.437
flat angles C4'-P-C4' energy: -27.542
flat angles P-C4'-P energy: -22.556
tors. eta vs tors. theta energy: -42.199
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: 8
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -515.250180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.250180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.250180 (E_RNA)
where:
Base-Base interactions energy: -363.895
where: short stacking energy: -151.369
Base-Backbone interact. energy: -0.691
local terms energy: -150.664029
where:
bonds (distance) C4'-P energy: -29.407
bonds (distance) P-C4' energy: -27.445
flat angles C4'-P-C4' energy: -35.389
flat angles P-C4'-P energy: -22.738
tors. eta vs tors. theta energy: -35.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -434.142314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.142314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.142314 (E_RNA)
where:
Base-Base interactions energy: -304.144
where: short stacking energy: -143.330
Base-Backbone interact. energy: -0.135
local terms energy: -129.863717
where:
bonds (distance) C4'-P energy: -27.873
bonds (distance) P-C4' energy: -26.524
flat angles C4'-P-C4' energy: -30.728
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -32.612
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: 8, replica: 4
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -388.726222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.726222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.726222 (E_RNA)
where:
Base-Base interactions energy: -265.505
where: short stacking energy: -113.628
Base-Backbone interact. energy: 0.649
local terms energy: -123.871048
where:
bonds (distance) C4'-P energy: -26.070
bonds (distance) P-C4' energy: -29.341
flat angles C4'-P-C4' energy: -28.130
flat angles P-C4'-P energy: -18.267
tors. eta vs tors. theta energy: -22.063
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: 3
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -353.256069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.256069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.256069 (E_RNA)
where:
Base-Base interactions energy: -223.781
where: short stacking energy: -101.727
Base-Backbone interact. energy: -0.239
local terms energy: -129.235381
where:
bonds (distance) C4'-P energy: -23.945
bonds (distance) P-C4' energy: -24.544
flat angles C4'-P-C4' energy: -31.539
flat angles P-C4'-P energy: -26.801
tors. eta vs tors. theta energy: -22.407
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: 208
Temperature: 1.350000
Total energy: -289.190110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.190110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.190110 (E_RNA)
where:
Base-Base interactions energy: -183.996
where: short stacking energy: -86.802
Base-Backbone interact. energy: 1.304
local terms energy: -106.497676
where:
bonds (distance) C4'-P energy: -27.492
bonds (distance) P-C4' energy: -27.563
flat angles C4'-P-C4' energy: -22.605
flat angles P-C4'-P energy: -17.378
tors. eta vs tors. theta energy: -11.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -573.803034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.803034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.803034 (E_RNA)
where:
Base-Base interactions energy: -394.497
where: short stacking energy: -177.025
Base-Backbone interact. energy: -0.018
local terms energy: -179.288529
where:
bonds (distance) C4'-P energy: -33.327
bonds (distance) P-C4' energy: -32.991
flat angles C4'-P-C4' energy: -38.067
flat angles P-C4'-P energy: -28.210
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: 2, replica: 6
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -551.429617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.429617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.429617 (E_RNA)
where:
Base-Base interactions energy: -384.111
where: short stacking energy: -176.830
Base-Backbone interact. energy: -0.258
local terms energy: -167.060162
where:
bonds (distance) C4'-P energy: -26.831
bonds (distance) P-C4' energy: -31.701
flat angles C4'-P-C4' energy: -34.693
flat angles P-C4'-P energy: -21.740
tors. eta vs tors. theta energy: -52.095
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: 3, replica: 7
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -561.833779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.833779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.833779 (E_RNA)
where:
Base-Base interactions energy: -397.133
where: short stacking energy: -157.963
Base-Backbone interact. energy: -0.821
local terms energy: -163.880190
where:
bonds (distance) C4'-P energy: -33.826
bonds (distance) P-C4' energy: -33.225
flat angles C4'-P-C4' energy: -36.394
flat angles P-C4'-P energy: -16.002
tors. eta vs tors. theta energy: -44.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -549.322102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.322102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.322102 (E_RNA)
where:
Base-Base interactions energy: -379.121
where: short stacking energy: -171.930
Base-Backbone interact. energy: 0.424
local terms energy: -170.624790
where:
bonds (distance) C4'-P energy: -33.738
bonds (distance) P-C4' energy: -31.656
flat angles C4'-P-C4' energy: -33.360
flat angles P-C4'-P energy: -25.946
tors. eta vs tors. theta energy: -45.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -529.599445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.599445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.599445 (E_RNA)
where:
Base-Base interactions energy: -373.839
where: short stacking energy: -152.729
Base-Backbone interact. energy: -0.383
local terms energy: -155.377622
where:
bonds (distance) C4'-P energy: -31.732
bonds (distance) P-C4' energy: -29.513
flat angles C4'-P-C4' energy: -28.718
flat angles P-C4'-P energy: -22.809
tors. eta vs tors. theta energy: -42.605
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: 6, replica: 8
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -503.630883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.630883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.630883 (E_RNA)
where:
Base-Base interactions energy: -351.511
where: short stacking energy: -155.719
Base-Backbone interact. energy: -1.293
local terms energy: -150.827144
where:
bonds (distance) C4'-P energy: -25.686
bonds (distance) P-C4' energy: -32.741
flat angles C4'-P-C4' energy: -26.477
flat angles P-C4'-P energy: -23.479
tors. eta vs tors. theta energy: -42.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -440.000345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.000345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.000345 (E_RNA)
where:
Base-Base interactions energy: -304.052
where: short stacking energy: -135.737
Base-Backbone interact. energy: -0.464
local terms energy: -135.484588
where:
bonds (distance) C4'-P energy: -29.005
bonds (distance) P-C4' energy: -24.727
flat angles C4'-P-C4' energy: -27.716
flat angles P-C4'-P energy: -25.229
tors. eta vs tors. theta energy: -28.808
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: 8, replica: 4
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -390.332608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.332608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.332608 (E_RNA)
where:
Base-Base interactions energy: -263.845
where: short stacking energy: -126.869
Base-Backbone interact. energy: -1.189
local terms energy: -125.298958
where:
bonds (distance) C4'-P energy: -30.917
bonds (distance) P-C4' energy: -26.043
flat angles C4'-P-C4' energy: -20.198
flat angles P-C4'-P energy: -19.003
tors. eta vs tors. theta energy: -29.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -354.417304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.417304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.417304 (E_RNA)
where:
Base-Base interactions energy: -227.501
where: short stacking energy: -112.545
Base-Backbone interact. energy: -0.215
local terms energy: -126.702140
where:
bonds (distance) C4'-P energy: -21.846
bonds (distance) P-C4' energy: -32.827
flat angles C4'-P-C4' energy: -25.513
flat angles P-C4'-P energy: -20.833
tors. eta vs tors. theta energy: -25.682
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: 10, replica: 9
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -392.173830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.173830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.173830 (E_RNA)
where:
Base-Base interactions energy: -268.243
where: short stacking energy: -115.608
Base-Backbone interact. energy: 0.195
local terms energy: -124.126041
where:
bonds (distance) C4'-P energy: -31.481
bonds (distance) P-C4' energy: -24.857
flat angles C4'-P-C4' energy: -27.695
flat angles P-C4'-P energy: -14.421
tors. eta vs tors. theta energy: -25.673
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: 2
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -585.009198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.009198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.009198 (E_RNA)
where:
Base-Base interactions energy: -412.954
where: short stacking energy: -182.527
Base-Backbone interact. energy: -0.179
local terms energy: -171.875595
where:
bonds (distance) C4'-P energy: -31.999
bonds (distance) P-C4' energy: -31.260
flat angles C4'-P-C4' energy: -34.900
flat angles P-C4'-P energy: -26.866
tors. eta vs tors. theta energy: -46.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -541.947482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.947482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.947482 (E_RNA)
where:
Base-Base interactions energy: -368.910
where: short stacking energy: -163.354
Base-Backbone interact. energy: -0.055
local terms energy: -172.982552
where:
bonds (distance) C4'-P energy: -26.476
bonds (distance) P-C4' energy: -30.791
flat angles C4'-P-C4' energy: -37.708
flat angles P-C4'-P energy: -26.683
tors. eta vs tors. theta energy: -51.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -547.981999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.981999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.981999 (E_RNA)
where:
Base-Base interactions energy: -379.733
where: short stacking energy: -164.037
Base-Backbone interact. energy: 0.153
local terms energy: -168.402176
where:
bonds (distance) C4'-P energy: -26.516
bonds (distance) P-C4' energy: -33.368
flat angles C4'-P-C4' energy: -34.678
flat angles P-C4'-P energy: -22.508
tors. eta vs tors. theta energy: -51.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -555.878538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.878538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.878538 (E_RNA)
where:
Base-Base interactions energy: -401.849
where: short stacking energy: -164.206
Base-Backbone interact. energy: -0.474
local terms energy: -153.555314
where:
bonds (distance) C4'-P energy: -26.673
bonds (distance) P-C4' energy: -31.961
flat angles C4'-P-C4' energy: -30.561
flat angles P-C4'-P energy: -21.817
tors. eta vs tors. theta energy: -42.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -526.168948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.168948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.168948 (E_RNA)
where:
Base-Base interactions energy: -365.334
where: short stacking energy: -155.204
Base-Backbone interact. energy: -0.359
local terms energy: -160.475326
where:
bonds (distance) C4'-P energy: -27.824
bonds (distance) P-C4' energy: -35.059
flat angles C4'-P-C4' energy: -33.887
flat angles P-C4'-P energy: -24.851
tors. eta vs tors. theta energy: -38.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -533.136362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.136362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.136362 (E_RNA)
where:
Base-Base interactions energy: -377.739
where: short stacking energy: -161.200
Base-Backbone interact. energy: -0.056
local terms energy: -155.341200
where:
bonds (distance) C4'-P energy: -31.787
bonds (distance) P-C4' energy: -22.590
flat angles C4'-P-C4' energy: -29.966
flat angles P-C4'-P energy: -26.581
tors. eta vs tors. theta energy: -44.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -402.266019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.266019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.266019 (E_RNA)
where:
Base-Base interactions energy: -265.185
where: short stacking energy: -134.141
Base-Backbone interact. energy: -0.096
local terms energy: -136.984609
where:
bonds (distance) C4'-P energy: -27.602
bonds (distance) P-C4' energy: -22.942
flat angles C4'-P-C4' energy: -30.085
flat angles P-C4'-P energy: -26.758
tors. eta vs tors. theta energy: -29.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -434.583805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.583805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.583805 (E_RNA)
where:
Base-Base interactions energy: -303.400
where: short stacking energy: -144.300
Base-Backbone interact. energy: 0.428
local terms energy: -131.611615
where:
bonds (distance) C4'-P energy: -20.957
bonds (distance) P-C4' energy: -24.775
flat angles C4'-P-C4' energy: -31.971
flat angles P-C4'-P energy: -18.848
tors. eta vs tors. theta energy: -35.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -411.145514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.145514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.145514 (E_RNA)
where:
Base-Base interactions energy: -278.023
where: short stacking energy: -124.080
Base-Backbone interact. energy: 1.929
local terms energy: -135.051991
where:
bonds (distance) C4'-P energy: -26.384
bonds (distance) P-C4' energy: -29.248
flat angles C4'-P-C4' energy: -29.220
flat angles P-C4'-P energy: -19.783
tors. eta vs tors. theta energy: -30.416
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: 3
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -344.300760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.300760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.300760 (E_RNA)
where:
Base-Base interactions energy: -235.500
where: short stacking energy: -111.970
Base-Backbone interact. energy: -0.164
local terms energy: -108.637099
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -22.718
flat angles P-C4'-P energy: -22.229
tors. eta vs tors. theta energy: -30.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -586.244443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.244443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.244443 (E_RNA)
where:
Base-Base interactions energy: -406.627
where: short stacking energy: -176.777
Base-Backbone interact. energy: -0.564
local terms energy: -179.053622
where:
bonds (distance) C4'-P energy: -31.862
bonds (distance) P-C4' energy: -32.272
flat angles C4'-P-C4' energy: -35.928
flat angles P-C4'-P energy: -30.537
tors. eta vs tors. theta energy: -48.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -563.573729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.573729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.573729 (E_RNA)
where:
Base-Base interactions energy: -400.942
where: short stacking energy: -176.986
Base-Backbone interact. energy: -0.494
local terms energy: -162.137490
where:
bonds (distance) C4'-P energy: -30.652
bonds (distance) P-C4' energy: -33.125
flat angles C4'-P-C4' energy: -31.890
flat angles P-C4'-P energy: -18.207
tors. eta vs tors. theta energy: -48.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -562.452818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.452818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.452818 (E_RNA)
where:
Base-Base interactions energy: -391.160
where: short stacking energy: -189.012
Base-Backbone interact. energy: 0.484
local terms energy: -171.776568
where:
bonds (distance) C4'-P energy: -26.755
bonds (distance) P-C4' energy: -26.657
flat angles C4'-P-C4' energy: -37.332
flat angles P-C4'-P energy: -26.679
tors. eta vs tors. theta energy: -54.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -546.573848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.573848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.573848 (E_RNA)
where:
Base-Base interactions energy: -378.748
where: short stacking energy: -166.281
Base-Backbone interact. energy: -2.088
local terms energy: -165.737759
where:
bonds (distance) C4'-P energy: -33.597
bonds (distance) P-C4' energy: -29.980
flat angles C4'-P-C4' energy: -31.754
flat angles P-C4'-P energy: -24.907
tors. eta vs tors. theta energy: -45.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -511.354839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.354839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.354839 (E_RNA)
where:
Base-Base interactions energy: -354.961
where: short stacking energy: -154.828
Base-Backbone interact. energy: -0.103
local terms energy: -156.291615
where:
bonds (distance) C4'-P energy: -30.120
bonds (distance) P-C4' energy: -26.225
flat angles C4'-P-C4' energy: -36.887
flat angles P-C4'-P energy: -18.168
tors. eta vs tors. theta energy: -44.892
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: 1
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -525.363215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.363215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.363215 (E_RNA)
where:
Base-Base interactions energy: -389.331
where: short stacking energy: -160.372
Base-Backbone interact. energy: -1.339
local terms energy: -134.693241
where:
bonds (distance) C4'-P energy: -30.474
bonds (distance) P-C4' energy: -21.545
flat angles C4'-P-C4' energy: -25.577
flat angles P-C4'-P energy: -13.308
tors. eta vs tors. theta energy: -43.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -414.220261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.220261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.220261 (E_RNA)
where:
Base-Base interactions energy: -271.443
where: short stacking energy: -134.991
Base-Backbone interact. energy: -0.430
local terms energy: -142.347365
where:
bonds (distance) C4'-P energy: -29.741
bonds (distance) P-C4' energy: -29.647
flat angles C4'-P-C4' energy: -32.523
flat angles P-C4'-P energy: -17.646
tors. eta vs tors. theta energy: -32.791
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: 10
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -422.082560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.082560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.082560 (E_RNA)
where:
Base-Base interactions energy: -298.791
where: short stacking energy: -130.635
Base-Backbone interact. energy: -0.070
local terms energy: -123.220737
where:
bonds (distance) C4'-P energy: -15.144
bonds (distance) P-C4' energy: -26.185
flat angles C4'-P-C4' energy: -31.092
flat angles P-C4'-P energy: -21.263
tors. eta vs tors. theta energy: -29.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -399.636806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.636806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.636806 (E_RNA)
where:
Base-Base interactions energy: -265.785
where: short stacking energy: -114.664
Base-Backbone interact. energy: -0.746
local terms energy: -133.105648
where:
bonds (distance) C4'-P energy: -31.307
bonds (distance) P-C4' energy: -26.593
flat angles C4'-P-C4' energy: -32.034
flat angles P-C4'-P energy: -17.584
tors. eta vs tors. theta energy: -25.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -356.584672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.584672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.584672 (E_RNA)
where:
Base-Base interactions energy: -224.608
where: short stacking energy: -100.620
Base-Backbone interact. energy: -1.180
local terms energy: -130.795949
where:
bonds (distance) C4'-P energy: -27.273
bonds (distance) P-C4' energy: -29.533
flat angles C4'-P-C4' energy: -30.123
flat angles P-C4'-P energy: -20.621
tors. eta vs tors. theta energy: -23.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -580.031533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.031533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.031533 (E_RNA)
where:
Base-Base interactions energy: -406.046
where: short stacking energy: -171.295
Base-Backbone interact. energy: 3.119
local terms energy: -177.103896
where:
bonds (distance) C4'-P energy: -34.654
bonds (distance) P-C4' energy: -35.533
flat angles C4'-P-C4' energy: -34.477
flat angles P-C4'-P energy: -23.270
tors. eta vs tors. theta energy: -49.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -558.737975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.737975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.737975 (E_RNA)
where:
Base-Base interactions energy: -384.269
where: short stacking energy: -165.908
Base-Backbone interact. energy: 0.951
local terms energy: -175.420182
where:
bonds (distance) C4'-P energy: -30.438
bonds (distance) P-C4' energy: -34.846
flat angles C4'-P-C4' energy: -34.366
flat angles P-C4'-P energy: -27.675
tors. eta vs tors. theta energy: -48.095
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: 3, replica: 7
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -551.883488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.883488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.883488 (E_RNA)
where:
Base-Base interactions energy: -395.227
where: short stacking energy: -165.303
Base-Backbone interact. energy: -1.485
local terms energy: -155.171278
where:
bonds (distance) C4'-P energy: -32.939
bonds (distance) P-C4' energy: -22.922
flat angles C4'-P-C4' energy: -31.397
flat angles P-C4'-P energy: -24.640
tors. eta vs tors. theta energy: -43.273
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: 4, replica: 6
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -542.229482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.229482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.229482 (E_RNA)
where:
Base-Base interactions energy: -367.841
where: short stacking energy: -167.810
Base-Backbone interact. energy: -0.620
local terms energy: -173.769180
where:
bonds (distance) C4'-P energy: -30.430
bonds (distance) P-C4' energy: -32.853
flat angles C4'-P-C4' energy: -30.911
flat angles P-C4'-P energy: -26.383
tors. eta vs tors. theta energy: -53.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -548.117731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.117731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.117731 (E_RNA)
where:
Base-Base interactions energy: -396.547
where: short stacking energy: -163.349
Base-Backbone interact. energy: -0.185
local terms energy: -151.385988
where:
bonds (distance) C4'-P energy: -25.301
bonds (distance) P-C4' energy: -35.984
flat angles C4'-P-C4' energy: -27.516
flat angles P-C4'-P energy: -23.322
tors. eta vs tors. theta energy: -39.264
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: 8
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -516.202656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.202656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.202656 (E_RNA)
where:
Base-Base interactions energy: -364.328
where: short stacking energy: -157.231
Base-Backbone interact. energy: 2.530
local terms energy: -154.405038
where:
bonds (distance) C4'-P energy: -32.901
bonds (distance) P-C4' energy: -25.123
flat angles C4'-P-C4' energy: -30.204
flat angles P-C4'-P energy: -21.062
tors. eta vs tors. theta energy: -45.115
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: 4
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -397.324246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.324246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.324246 (E_RNA)
where:
Base-Base interactions energy: -273.517
where: short stacking energy: -119.607
Base-Backbone interact. energy: -0.780
local terms energy: -123.026999
where:
bonds (distance) C4'-P energy: -27.263
bonds (distance) P-C4' energy: -29.162
flat angles C4'-P-C4' energy: -18.755
flat angles P-C4'-P energy: -17.339
tors. eta vs tors. theta energy: -30.507
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: 212
Temperature: 1.250000
Total energy: -447.959202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.959202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.959202 (E_RNA)
where:
Base-Base interactions energy: -311.623
where: short stacking energy: -133.459
Base-Backbone interact. energy: 0.117
local terms energy: -136.453291
where:
bonds (distance) C4'-P energy: -27.963
bonds (distance) P-C4' energy: -29.066
flat angles C4'-P-C4' energy: -22.829
flat angles P-C4'-P energy: -22.378
tors. eta vs tors. theta energy: -34.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -404.152504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.152504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.152504 (E_RNA)
where:
Base-Base interactions energy: -274.138
where: short stacking energy: -124.197
Base-Backbone interact. energy: -0.543
local terms energy: -129.471720
where:
bonds (distance) C4'-P energy: -23.636
bonds (distance) P-C4' energy: -22.109
flat angles C4'-P-C4' energy: -27.112
flat angles P-C4'-P energy: -30.014
tors. eta vs tors. theta energy: -26.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -310.723056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.723056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.723056 (E_RNA)
where:
Base-Base interactions energy: -207.572
where: short stacking energy: -101.438
Base-Backbone interact. energy: -0.327
local terms energy: -102.824176
where:
bonds (distance) C4'-P energy: -23.866
bonds (distance) P-C4' energy: -14.211
flat angles C4'-P-C4' energy: -29.169
flat angles P-C4'-P energy: -17.621
tors. eta vs tors. theta energy: -17.957
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: 2
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -582.212291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.212291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.212291 (E_RNA)
where:
Base-Base interactions energy: -397.880
where: short stacking energy: -181.576
Base-Backbone interact. energy: -0.142
local terms energy: -184.191006
where:
bonds (distance) C4'-P energy: -33.369
bonds (distance) P-C4' energy: -31.953
flat angles C4'-P-C4' energy: -38.305
flat angles P-C4'-P energy: -28.080
tors. eta vs tors. theta energy: -52.484
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: 2, replica: 5
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -557.937005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.937005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.937005 (E_RNA)
where:
Base-Base interactions energy: -389.940
where: short stacking energy: -170.964
Base-Backbone interact. energy: -0.470
local terms energy: -167.527014
where:
bonds (distance) C4'-P energy: -34.996
bonds (distance) P-C4' energy: -31.429
flat angles C4'-P-C4' energy: -31.822
flat angles P-C4'-P energy: -23.222
tors. eta vs tors. theta energy: -46.058
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: 213
Temperature: 1.000000
Total energy: -559.065807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.065807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.065807 (E_RNA)
where:
Base-Base interactions energy: -389.221
where: short stacking energy: -166.178
Base-Backbone interact. energy: -2.056
local terms energy: -167.788902
where:
bonds (distance) C4'-P energy: -28.491
bonds (distance) P-C4' energy: -32.819
flat angles C4'-P-C4' energy: -34.128
flat angles P-C4'-P energy: -23.589
tors. eta vs tors. theta energy: -48.761
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: 1
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -541.167945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.167945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.167945 (E_RNA)
where:
Base-Base interactions energy: -382.376
where: short stacking energy: -173.634
Base-Backbone interact. energy: 0.776
local terms energy: -159.568284
where:
bonds (distance) C4'-P energy: -29.189
bonds (distance) P-C4' energy: -32.325
flat angles C4'-P-C4' energy: -32.278
flat angles P-C4'-P energy: -18.629
tors. eta vs tors. theta energy: -47.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -522.572727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.572727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.572727 (E_RNA)
where:
Base-Base interactions energy: -358.701
where: short stacking energy: -157.029
Base-Backbone interact. energy: -0.410
local terms energy: -163.461583
where:
bonds (distance) C4'-P energy: -28.020
bonds (distance) P-C4' energy: -35.095
flat angles C4'-P-C4' energy: -39.064
flat angles P-C4'-P energy: -16.663
tors. eta vs tors. theta energy: -44.620
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: 8
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -524.642340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.642340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.642340 (E_RNA)
where:
Base-Base interactions energy: -359.677
where: short stacking energy: -163.261
Base-Backbone interact. energy: -0.404
local terms energy: -164.561831
where:
bonds (distance) C4'-P energy: -26.580
bonds (distance) P-C4' energy: -35.501
flat angles C4'-P-C4' energy: -35.751
flat angles P-C4'-P energy: -17.935
tors. eta vs tors. theta energy: -48.796
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: 7, replica: 4
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -407.998817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.998817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.998817 (E_RNA)
where:
Base-Base interactions energy: -269.821
where: short stacking energy: -128.241
Base-Backbone interact. energy: -2.665
local terms energy: -135.513147
where:
bonds (distance) C4'-P energy: -21.956
bonds (distance) P-C4' energy: -30.561
flat angles C4'-P-C4' energy: -28.920
flat angles P-C4'-P energy: -20.961
tors. eta vs tors. theta energy: -33.115
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: 10
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -441.238263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.238263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.238263 (E_RNA)
where:
Base-Base interactions energy: -304.690
where: short stacking energy: -133.252
Base-Backbone interact. energy: -0.665
local terms energy: -135.883500
where:
bonds (distance) C4'-P energy: -26.332
bonds (distance) P-C4' energy: -29.717
flat angles C4'-P-C4' energy: -23.910
flat angles P-C4'-P energy: -22.521
tors. eta vs tors. theta energy: -33.403
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: 9, replica: 9
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -353.182061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.182061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.182061 (E_RNA)
where:
Base-Base interactions energy: -234.209
where: short stacking energy: -117.900
Base-Backbone interact. energy: -0.557
local terms energy: -118.416594
where:
bonds (distance) C4'-P energy: -27.813
bonds (distance) P-C4' energy: -21.161
flat angles C4'-P-C4' energy: -33.309
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -21.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -308.973642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.973642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.973642 (E_RNA)
where:
Base-Base interactions energy: -191.144
where: short stacking energy: -94.965
Base-Backbone interact. energy: -0.697
local terms energy: -117.132096
where:
bonds (distance) C4'-P energy: -25.565
bonds (distance) P-C4' energy: -32.832
flat angles C4'-P-C4' energy: -24.066
flat angles P-C4'-P energy: -16.951
tors. eta vs tors. theta energy: -17.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -574.188281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.188281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.188281 (E_RNA)
where:
Base-Base interactions energy: -402.823
where: short stacking energy: -182.677
Base-Backbone interact. energy: -0.630
local terms energy: -170.735310
where:
bonds (distance) C4'-P energy: -32.424
bonds (distance) P-C4' energy: -31.997
flat angles C4'-P-C4' energy: -31.528
flat angles P-C4'-P energy: -24.184
tors. eta vs tors. theta energy: -50.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -569.928968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.928968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.928968 (E_RNA)
where:
Base-Base interactions energy: -396.160
where: short stacking energy: -175.341
Base-Backbone interact. energy: -0.462
local terms energy: -173.306939
where:
bonds (distance) C4'-P energy: -31.568
bonds (distance) P-C4' energy: -31.876
flat angles C4'-P-C4' energy: -30.872
flat angles P-C4'-P energy: -27.732
tors. eta vs tors. theta energy: -51.259
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: 7
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -562.811066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.811066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.811066 (E_RNA)
where:
Base-Base interactions energy: -400.501
where: short stacking energy: -162.300
Base-Backbone interact. energy: -0.753
local terms energy: -161.557047
where:
bonds (distance) C4'-P energy: -25.627
bonds (distance) P-C4' energy: -31.291
flat angles C4'-P-C4' energy: -33.474
flat angles P-C4'-P energy: -23.346
tors. eta vs tors. theta energy: -47.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -538.421641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.421641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.421641 (E_RNA)
where:
Base-Base interactions energy: -376.053
where: short stacking energy: -157.425
Base-Backbone interact. energy: -0.423
local terms energy: -161.945268
where:
bonds (distance) C4'-P energy: -26.261
bonds (distance) P-C4' energy: -30.094
flat angles C4'-P-C4' energy: -37.212
flat angles P-C4'-P energy: -26.515
tors. eta vs tors. theta energy: -41.863
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: 8
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -553.889418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.889418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.889418 (E_RNA)
where:
Base-Base interactions energy: -393.497
where: short stacking energy: -170.683
Base-Backbone interact. energy: -1.018
local terms energy: -159.373566
where:
bonds (distance) C4'-P energy: -31.094
bonds (distance) P-C4' energy: -22.608
flat angles C4'-P-C4' energy: -34.675
flat angles P-C4'-P energy: -22.276
tors. eta vs tors. theta energy: -48.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -507.314245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.314245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.314245 (E_RNA)
where:
Base-Base interactions energy: -351.113
where: short stacking energy: -161.860
Base-Backbone interact. energy: -0.098
local terms energy: -156.103231
where:
bonds (distance) C4'-P energy: -25.466
bonds (distance) P-C4' energy: -26.780
flat angles C4'-P-C4' energy: -32.962
flat angles P-C4'-P energy: -23.162
tors. eta vs tors. theta energy: -47.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -443.558699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.558699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.558699 (E_RNA)
where:
Base-Base interactions energy: -306.194
where: short stacking energy: -132.246
Base-Backbone interact. energy: 2.019
local terms energy: -139.382893
where:
bonds (distance) C4'-P energy: -27.576
bonds (distance) P-C4' energy: -28.982
flat angles C4'-P-C4' energy: -31.279
flat angles P-C4'-P energy: -21.878
tors. eta vs tors. theta energy: -29.668
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: 4
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -449.137448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.137448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.137448 (E_RNA)
where:
Base-Base interactions energy: -305.050
where: short stacking energy: -144.678
Base-Backbone interact. energy: 1.314
local terms energy: -145.400651
where:
bonds (distance) C4'-P energy: -19.334
bonds (distance) P-C4' energy: -35.781
flat angles C4'-P-C4' energy: -31.626
flat angles P-C4'-P energy: -19.014
tors. eta vs tors. theta energy: -39.646
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: 214
Temperature: 1.300000
Total energy: -327.599305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.599305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.599305 (E_RNA)
where:
Base-Base interactions energy: -203.253
where: short stacking energy: -83.550
Base-Backbone interact. energy: -0.591
local terms energy: -123.754783
where:
bonds (distance) C4'-P energy: -26.871
bonds (distance) P-C4' energy: -31.095
flat angles C4'-P-C4' energy: -24.823
flat angles P-C4'-P energy: -24.142
tors. eta vs tors. theta energy: -16.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -339.323965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.323965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.323965 (E_RNA)
where:
Base-Base interactions energy: -227.179
where: short stacking energy: -107.316
Base-Backbone interact. energy: -0.200
local terms energy: -111.944682
where:
bonds (distance) C4'-P energy: -22.921
bonds (distance) P-C4' energy: -25.310
flat angles C4'-P-C4' energy: -27.939
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -22.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -570.737812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.737812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.737812 (E_RNA)
where:
Base-Base interactions energy: -390.782
where: short stacking energy: -159.305
Base-Backbone interact. energy: -0.211
local terms energy: -179.744924
where:
bonds (distance) C4'-P energy: -34.502
bonds (distance) P-C4' energy: -30.109
flat angles C4'-P-C4' energy: -40.080
flat angles P-C4'-P energy: -28.325
tors. eta vs tors. theta energy: -46.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -572.942440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.942440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.942440 (E_RNA)
where:
Base-Base interactions energy: -412.057
where: short stacking energy: -162.832
Base-Backbone interact. energy: -0.112
local terms energy: -160.773055
where:
bonds (distance) C4'-P energy: -31.906
bonds (distance) P-C4' energy: -28.655
flat angles C4'-P-C4' energy: -32.297
flat angles P-C4'-P energy: -23.556
tors. eta vs tors. theta energy: -44.359
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: 2
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -563.750113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.750113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.750113 (E_RNA)
where:
Base-Base interactions energy: -388.398
where: short stacking energy: -172.187
Base-Backbone interact. energy: -0.227
local terms energy: -175.124497
where:
bonds (distance) C4'-P energy: -31.854
bonds (distance) P-C4' energy: -32.871
flat angles C4'-P-C4' energy: -34.205
flat angles P-C4'-P energy: -27.584
tors. eta vs tors. theta energy: -48.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -548.040765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.040765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.040765 (E_RNA)
where:
Base-Base interactions energy: -386.172
where: short stacking energy: -161.512
Base-Backbone interact. energy: -0.328
local terms energy: -161.540482
where:
bonds (distance) C4'-P energy: -30.094
bonds (distance) P-C4' energy: -33.019
flat angles C4'-P-C4' energy: -30.498
flat angles P-C4'-P energy: -20.504
tors. eta vs tors. theta energy: -47.425
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: 1
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -527.875669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.875669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.875669 (E_RNA)
where:
Base-Base interactions energy: -374.013
where: short stacking energy: -158.175
Base-Backbone interact. energy: 0.175
local terms energy: -154.037248
where:
bonds (distance) C4'-P energy: -23.128
bonds (distance) P-C4' energy: -29.822
flat angles C4'-P-C4' energy: -35.779
flat angles P-C4'-P energy: -20.659
tors. eta vs tors. theta energy: -44.649
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: 215
Temperature: 1.150000
Total energy: -509.267577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.267577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.267577 (E_RNA)
where:
Base-Base interactions energy: -357.039
where: short stacking energy: -157.907
Base-Backbone interact. energy: -0.546
local terms energy: -151.682610
where:
bonds (distance) C4'-P energy: -20.981
bonds (distance) P-C4' energy: -35.910
flat angles C4'-P-C4' energy: -34.511
flat angles P-C4'-P energy: -16.610
tors. eta vs tors. theta energy: -43.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -453.720345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.720345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.720345 (E_RNA)
where:
Base-Base interactions energy: -304.391
where: short stacking energy: -144.452
Base-Backbone interact. energy: -0.622
local terms energy: -148.707294
where:
bonds (distance) C4'-P energy: -29.502
bonds (distance) P-C4' energy: -25.937
flat angles C4'-P-C4' energy: -31.537
flat angles P-C4'-P energy: -22.934
tors. eta vs tors. theta energy: -38.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -461.281870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.281870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.281870 (E_RNA)
where:
Base-Base interactions energy: -315.829
where: short stacking energy: -147.156
Base-Backbone interact. energy: -0.624
local terms energy: -144.829639
where:
bonds (distance) C4'-P energy: -21.720
bonds (distance) P-C4' energy: -30.166
flat angles C4'-P-C4' energy: -35.456
flat angles P-C4'-P energy: -15.892
tors. eta vs tors. theta energy: -41.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -357.283303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.283303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.283303 (E_RNA)
where:
Base-Base interactions energy: -249.679
where: short stacking energy: -103.049
Base-Backbone interact. energy: 0.052
local terms energy: -107.656227
where:
bonds (distance) C4'-P energy: -20.103
bonds (distance) P-C4' energy: -19.278
flat angles C4'-P-C4' energy: -17.525
flat angles P-C4'-P energy: -25.027
tors. eta vs tors. theta energy: -25.723
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: 3
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -315.590662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.590662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.590662 (E_RNA)
where:
Base-Base interactions energy: -210.743
where: short stacking energy: -88.846
Base-Backbone interact. energy: -0.295
local terms energy: -104.552451
where:
bonds (distance) C4'-P energy: -21.666
bonds (distance) P-C4' energy: -19.860
flat angles C4'-P-C4' energy: -27.751
flat angles P-C4'-P energy: -19.880
tors. eta vs tors. theta energy: -15.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -574.569549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.569549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.569549 (E_RNA)
where:
Base-Base interactions energy: -411.570
where: short stacking energy: -161.257
Base-Backbone interact. energy: -2.987
local terms energy: -160.012517
where:
bonds (distance) C4'-P energy: -32.756
bonds (distance) P-C4' energy: -34.275
flat angles C4'-P-C4' energy: -34.322
flat angles P-C4'-P energy: -15.000
tors. eta vs tors. theta energy: -43.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -567.454560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.454560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.454560 (E_RNA)
where:
Base-Base interactions energy: -395.535
where: short stacking energy: -181.212
Base-Backbone interact. energy: -0.587
local terms energy: -171.331743
where:
bonds (distance) C4'-P energy: -32.719
bonds (distance) P-C4' energy: -32.561
flat angles C4'-P-C4' energy: -38.975
flat angles P-C4'-P energy: -18.906
tors. eta vs tors. theta energy: -48.171
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: 8
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -546.684279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.684279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.684279 (E_RNA)
where:
Base-Base interactions energy: -386.236
where: short stacking energy: -162.207
Base-Backbone interact. energy: 0.325
local terms energy: -160.772935
where:
bonds (distance) C4'-P energy: -23.986
bonds (distance) P-C4' energy: -28.585
flat angles C4'-P-C4' energy: -35.288
flat angles P-C4'-P energy: -24.275
tors. eta vs tors. theta energy: -48.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -544.984989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.984989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.984989 (E_RNA)
where:
Base-Base interactions energy: -380.055
where: short stacking energy: -171.471
Base-Backbone interact. energy: -1.208
local terms energy: -163.722533
where:
bonds (distance) C4'-P energy: -25.982
bonds (distance) P-C4' energy: -28.481
flat angles C4'-P-C4' energy: -38.027
flat angles P-C4'-P energy: -19.538
tors. eta vs tors. theta energy: -51.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -536.383495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.383495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.383495 (E_RNA)
where:
Base-Base interactions energy: -352.215
where: short stacking energy: -174.734
Base-Backbone interact. energy: -0.213
local terms energy: -183.955630
where:
bonds (distance) C4'-P energy: -34.630
bonds (distance) P-C4' energy: -35.389
flat angles C4'-P-C4' energy: -37.211
flat angles P-C4'-P energy: -25.075
tors. eta vs tors. theta energy: -51.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -514.761195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.761195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.761195 (E_RNA)
where:
Base-Base interactions energy: -360.441
where: short stacking energy: -153.631
Base-Backbone interact. energy: -0.229
local terms energy: -154.091897
where:
bonds (distance) C4'-P energy: -26.837
bonds (distance) P-C4' energy: -38.328
flat angles C4'-P-C4' energy: -31.736
flat angles P-C4'-P energy: -17.346
tors. eta vs tors. theta energy: -39.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -443.225929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.225929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.225929 (E_RNA)
where:
Base-Base interactions energy: -301.163
where: short stacking energy: -129.085
Base-Backbone interact. energy: -1.101
local terms energy: -140.962199
where:
bonds (distance) C4'-P energy: -33.886
bonds (distance) P-C4' energy: -32.913
flat angles C4'-P-C4' energy: -26.886
flat angles P-C4'-P energy: -21.677
tors. eta vs tors. theta energy: -25.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -444.757685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.757685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.757685 (E_RNA)
where:
Base-Base interactions energy: -308.411
where: short stacking energy: -129.963
Base-Backbone interact. energy: -0.417
local terms energy: -135.929891
where:
bonds (distance) C4'-P energy: -23.919
bonds (distance) P-C4' energy: -29.460
flat angles C4'-P-C4' energy: -27.907
flat angles P-C4'-P energy: -19.986
tors. eta vs tors. theta energy: -34.658
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: 9
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -388.145883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.145883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.145883 (E_RNA)
where:
Base-Base interactions energy: -261.238
where: short stacking energy: -119.850
Base-Backbone interact. energy: -0.793
local terms energy: -126.114317
where:
bonds (distance) C4'-P energy: -33.289
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -28.836
flat angles P-C4'-P energy: -18.526
tors. eta vs tors. theta energy: -27.736
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: 3
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -347.395284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.395284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.395284 (E_RNA)
where:
Base-Base interactions energy: -218.323
where: short stacking energy: -102.980
Base-Backbone interact. energy: -0.311
local terms energy: -128.761694
where:
bonds (distance) C4'-P energy: -29.109
bonds (distance) P-C4' energy: -29.951
flat angles C4'-P-C4' energy: -21.244
flat angles P-C4'-P energy: -21.262
tors. eta vs tors. theta energy: -27.196
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: 1, replica: 7
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -580.461766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.461766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.461766 (E_RNA)
where:
Base-Base interactions energy: -404.516
where: short stacking energy: -158.054
Base-Backbone interact. energy: -0.387
local terms energy: -175.558867
where:
bonds (distance) C4'-P energy: -31.124
bonds (distance) P-C4' energy: -31.686
flat angles C4'-P-C4' energy: -34.752
flat angles P-C4'-P energy: -32.097
tors. eta vs tors. theta energy: -45.899
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: 8
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -564.628218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.628218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.628218 (E_RNA)
where:
Base-Base interactions energy: -392.728
where: short stacking energy: -163.234
Base-Backbone interact. energy: 0.240
local terms energy: -172.139516
where:
bonds (distance) C4'-P energy: -31.921
bonds (distance) P-C4' energy: -35.328
flat angles C4'-P-C4' energy: -32.668
flat angles P-C4'-P energy: -22.673
tors. eta vs tors. theta energy: -49.549
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: 5
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -553.112218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.112218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.112218 (E_RNA)
where:
Base-Base interactions energy: -373.295
where: short stacking energy: -166.273
Base-Backbone interact. energy: 1.097
local terms energy: -180.914182
where:
bonds (distance) C4'-P energy: -33.056
bonds (distance) P-C4' energy: -32.685
flat angles C4'-P-C4' energy: -40.697
flat angles P-C4'-P energy: -26.065
tors. eta vs tors. theta energy: -48.411
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: 4, replica: 2
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -540.981998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.981998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.981998 (E_RNA)
where:
Base-Base interactions energy: -366.644
where: short stacking energy: -160.390
Base-Backbone interact. energy: -0.039
local terms energy: -174.299417
where:
bonds (distance) C4'-P energy: -28.459
bonds (distance) P-C4' energy: -32.468
flat angles C4'-P-C4' energy: -39.291
flat angles P-C4'-P energy: -27.585
tors. eta vs tors. theta energy: -46.497
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: 6
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -528.715070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.715070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.715070 (E_RNA)
where:
Base-Base interactions energy: -370.876
where: short stacking energy: -166.624
Base-Backbone interact. energy: 0.017
local terms energy: -157.855962
where:
bonds (distance) C4'-P energy: -32.843
bonds (distance) P-C4' energy: -30.506
flat angles C4'-P-C4' energy: -31.427
flat angles P-C4'-P energy: -18.816
tors. eta vs tors. theta energy: -44.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -510.053388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.053388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.053388 (E_RNA)
where:
Base-Base interactions energy: -363.869
where: short stacking energy: -166.919
Base-Backbone interact. energy: 2.898
local terms energy: -149.082908
where:
bonds (distance) C4'-P energy: -24.328
bonds (distance) P-C4' energy: -30.087
flat angles C4'-P-C4' energy: -28.850
flat angles P-C4'-P energy: -20.650
tors. eta vs tors. theta energy: -45.168
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: 4
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -434.932057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.932057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.932057 (E_RNA)
where:
Base-Base interactions energy: -304.732
where: short stacking energy: -126.602
Base-Backbone interact. energy: 0.758
local terms energy: -130.958691
where:
bonds (distance) C4'-P energy: -24.511
bonds (distance) P-C4' energy: -26.288
flat angles C4'-P-C4' energy: -31.311
flat angles P-C4'-P energy: -18.022
tors. eta vs tors. theta energy: -30.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -452.211271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.211271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.211271 (E_RNA)
where:
Base-Base interactions energy: -317.237
where: short stacking energy: -144.341
Base-Backbone interact. energy: -0.839
local terms energy: -134.134656
where:
bonds (distance) C4'-P energy: -21.548
bonds (distance) P-C4' energy: -28.294
flat angles C4'-P-C4' energy: -28.091
flat angles P-C4'-P energy: -21.214
tors. eta vs tors. theta energy: -34.988
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: 217
Temperature: 1.300000
Total energy: -348.021250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.021250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.021250 (E_RNA)
where:
Base-Base interactions energy: -222.658
where: short stacking energy: -96.365
Base-Backbone interact. energy: 0.643
local terms energy: -126.006238
where:
bonds (distance) C4'-P energy: -28.299
bonds (distance) P-C4' energy: -38.133
flat angles C4'-P-C4' energy: -27.071
flat angles P-C4'-P energy: -15.091
tors. eta vs tors. theta energy: -17.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -336.900683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.900683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.900683 (E_RNA)
where:
Base-Base interactions energy: -217.443
where: short stacking energy: -107.088
Base-Backbone interact. energy: -0.201
local terms energy: -119.256154
where:
bonds (distance) C4'-P energy: -28.577
bonds (distance) P-C4' energy: -19.683
flat angles C4'-P-C4' energy: -29.275
flat angles P-C4'-P energy: -16.729
tors. eta vs tors. theta energy: -24.993
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: 7
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -587.738796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.738796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.738796 (E_RNA)
where:
Base-Base interactions energy: -415.814
where: short stacking energy: -167.863
Base-Backbone interact. energy: -1.812
local terms energy: -170.112954
where:
bonds (distance) C4'-P energy: -28.395
bonds (distance) P-C4' energy: -32.646
flat angles C4'-P-C4' energy: -32.343
flat angles P-C4'-P energy: -25.274
tors. eta vs tors. theta energy: -51.455
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: 8
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -553.994881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.994881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.994881 (E_RNA)
where:
Base-Base interactions energy: -381.825
where: short stacking energy: -163.997
Base-Backbone interact. energy: 0.107
local terms energy: -172.277199
where:
bonds (distance) C4'-P energy: -31.799
bonds (distance) P-C4' energy: -33.643
flat angles C4'-P-C4' energy: -35.894
flat angles P-C4'-P energy: -26.333
tors. eta vs tors. theta energy: -44.609
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: 2
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -549.290418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.290418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.290418 (E_RNA)
where:
Base-Base interactions energy: -378.098
where: short stacking energy: -154.031
Base-Backbone interact. energy: -0.718
local terms energy: -170.474644
where:
bonds (distance) C4'-P energy: -27.482
bonds (distance) P-C4' energy: -36.299
flat angles C4'-P-C4' energy: -35.242
flat angles P-C4'-P energy: -28.319
tors. eta vs tors. theta energy: -43.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -525.705668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.705668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.705668 (E_RNA)
where:
Base-Base interactions energy: -366.493
where: short stacking energy: -163.619
Base-Backbone interact. energy: -0.427
local terms energy: -158.785602
where:
bonds (distance) C4'-P energy: -35.136
bonds (distance) P-C4' energy: -24.375
flat angles C4'-P-C4' energy: -36.288
flat angles P-C4'-P energy: -19.576
tors. eta vs tors. theta energy: -43.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -523.685053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.685053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.685053 (E_RNA)
where:
Base-Base interactions energy: -377.090
where: short stacking energy: -158.367
Base-Backbone interact. energy: -0.348
local terms energy: -146.247345
where:
bonds (distance) C4'-P energy: -32.003
bonds (distance) P-C4' energy: -24.696
flat angles C4'-P-C4' energy: -29.224
flat angles P-C4'-P energy: -15.751
tors. eta vs tors. theta energy: -44.574
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: 6
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -529.313133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.313133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.313133 (E_RNA)
where:
Base-Base interactions energy: -365.928
where: short stacking energy: -165.498
Base-Backbone interact. energy: -0.225
local terms energy: -163.160248
where:
bonds (distance) C4'-P energy: -24.486
bonds (distance) P-C4' energy: -31.756
flat angles C4'-P-C4' energy: -37.335
flat angles P-C4'-P energy: -17.931
tors. eta vs tors. theta energy: -51.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -458.745531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.745531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.745531 (E_RNA)
where:
Base-Base interactions energy: -318.577
where: short stacking energy: -133.764
Base-Backbone interact. energy: -1.155
local terms energy: -139.012842
where:
bonds (distance) C4'-P energy: -31.067
bonds (distance) P-C4' energy: -28.241
flat angles C4'-P-C4' energy: -28.391
flat angles P-C4'-P energy: -20.254
tors. eta vs tors. theta energy: -31.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -448.830413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.830413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.830413 (E_RNA)
where:
Base-Base interactions energy: -319.828
where: short stacking energy: -138.379
Base-Backbone interact. energy: -0.489
local terms energy: -128.513467
where:
bonds (distance) C4'-P energy: -24.939
bonds (distance) P-C4' energy: -17.687
flat angles C4'-P-C4' energy: -28.634
flat angles P-C4'-P energy: -23.221
tors. eta vs tors. theta energy: -34.033
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: 3
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -338.105162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.105162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.105162 (E_RNA)
where:
Base-Base interactions energy: -204.708
where: short stacking energy: -83.685
Base-Backbone interact. energy: -0.136
local terms energy: -133.261434
where:
bonds (distance) C4'-P energy: -30.757
bonds (distance) P-C4' energy: -33.379
flat angles C4'-P-C4' energy: -32.521
flat angles P-C4'-P energy: -22.310
tors. eta vs tors. theta energy: -14.295
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: 218
Temperature: 1.350000
Total energy: -331.357984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.357984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.357984 (E_RNA)
where:
Base-Base interactions energy: -216.915
where: short stacking energy: -99.997
Base-Backbone interact. energy: -0.963
local terms energy: -113.479747
where:
bonds (distance) C4'-P energy: -30.996
bonds (distance) P-C4' energy: -26.426
flat angles C4'-P-C4' energy: -27.330
flat angles P-C4'-P energy: -14.166
tors. eta vs tors. theta energy: -14.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -582.517642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.517642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.517642 (E_RNA)
where:
Base-Base interactions energy: -416.279
where: short stacking energy: -168.188
Base-Backbone interact. energy: -2.043
local terms energy: -164.196103
where:
bonds (distance) C4'-P energy: -27.514
bonds (distance) P-C4' energy: -29.117
flat angles C4'-P-C4' energy: -32.431
flat angles P-C4'-P energy: -26.772
tors. eta vs tors. theta energy: -48.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -570.770765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.770765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.770765 (E_RNA)
where:
Base-Base interactions energy: -402.969
where: short stacking energy: -178.809
Base-Backbone interact. energy: -0.600
local terms energy: -167.201858
where:
bonds (distance) C4'-P energy: -27.960
bonds (distance) P-C4' energy: -31.942
flat angles C4'-P-C4' energy: -33.415
flat angles P-C4'-P energy: -23.259
tors. eta vs tors. theta energy: -50.627
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: 8
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -542.553310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.553310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.553310 (E_RNA)
where:
Base-Base interactions energy: -373.287
where: short stacking energy: -165.300
Base-Backbone interact. energy: -1.942
local terms energy: -167.323669
where:
bonds (distance) C4'-P energy: -26.154
bonds (distance) P-C4' energy: -33.189
flat angles C4'-P-C4' energy: -33.377
flat angles P-C4'-P energy: -25.766
tors. eta vs tors. theta energy: -48.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -537.074639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.074639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.074639 (E_RNA)
where:
Base-Base interactions energy: -364.308
where: short stacking energy: -173.484
Base-Backbone interact. energy: -0.809
local terms energy: -171.957006
where:
bonds (distance) C4'-P energy: -30.163
bonds (distance) P-C4' energy: -29.638
flat angles C4'-P-C4' energy: -37.851
flat angles P-C4'-P energy: -27.740
tors. eta vs tors. theta energy: -46.565
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: 5, replica: 1
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -548.612531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.612531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.612531 (E_RNA)
where:
Base-Base interactions energy: -380.355
where: short stacking energy: -161.022
Base-Backbone interact. energy: -0.728
local terms energy: -167.528983
where:
bonds (distance) C4'-P energy: -28.323
bonds (distance) P-C4' energy: -31.971
flat angles C4'-P-C4' energy: -35.842
flat angles P-C4'-P energy: -24.124
tors. eta vs tors. theta energy: -47.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -508.230918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.230918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.230918 (E_RNA)
where:
Base-Base interactions energy: -358.196
where: short stacking energy: -158.639
Base-Backbone interact. energy: -0.103
local terms energy: -149.931958
where:
bonds (distance) C4'-P energy: -30.617
bonds (distance) P-C4' energy: -30.657
flat angles C4'-P-C4' energy: -27.722
flat angles P-C4'-P energy: -19.780
tors. eta vs tors. theta energy: -41.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -454.064994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.064994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.064994 (E_RNA)
where:
Base-Base interactions energy: -316.728
where: short stacking energy: -140.985
Base-Backbone interact. energy: 0.621
local terms energy: -137.957646
where:
bonds (distance) C4'-P energy: -26.664
bonds (distance) P-C4' energy: -21.609
flat angles C4'-P-C4' energy: -33.696
flat angles P-C4'-P energy: -20.277
tors. eta vs tors. theta energy: -35.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -451.848364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.848364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.848364 (E_RNA)
where:
Base-Base interactions energy: -312.661
where: short stacking energy: -137.651
Base-Backbone interact. energy: -0.526
local terms energy: -138.661351
where:
bonds (distance) C4'-P energy: -23.085
bonds (distance) P-C4' energy: -28.025
flat angles C4'-P-C4' energy: -29.655
flat angles P-C4'-P energy: -22.385
tors. eta vs tors. theta energy: -35.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -361.087724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.087724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.087724 (E_RNA)
where:
Base-Base interactions energy: -249.860
where: short stacking energy: -110.772
Base-Backbone interact. energy: 0.849
local terms energy: -112.076409
where:
bonds (distance) C4'-P energy: -25.395
bonds (distance) P-C4' energy: -27.938
flat angles C4'-P-C4' energy: -24.874
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: -20.913
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: 219
Temperature: 1.350000
Total energy: -337.504986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.504986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.504986 (E_RNA)
where:
Base-Base interactions energy: -226.583
where: short stacking energy: -88.459
Base-Backbone interact. energy: -0.386
local terms energy: -110.536356
where:
bonds (distance) C4'-P energy: -31.555
bonds (distance) P-C4' energy: -24.669
flat angles C4'-P-C4' energy: -28.836
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -15.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -577.236195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.236195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.236195 (E_RNA)
where:
Base-Base interactions energy: -395.974
where: short stacking energy: -177.154
Base-Backbone interact. energy: -1.819
local terms energy: -179.443392
where:
bonds (distance) C4'-P energy: -30.851
bonds (distance) P-C4' energy: -34.093
flat angles C4'-P-C4' energy: -39.089
flat angles P-C4'-P energy: -26.568
tors. eta vs tors. theta energy: -48.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -568.581206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.581206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.581206 (E_RNA)
where:
Base-Base interactions energy: -400.725
where: short stacking energy: -172.485
Base-Backbone interact. energy: -1.066
local terms energy: -166.790547
where:
bonds (distance) C4'-P energy: -34.639
bonds (distance) P-C4' energy: -30.319
flat angles C4'-P-C4' energy: -30.307
flat angles P-C4'-P energy: -26.658
tors. eta vs tors. theta energy: -44.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -564.665968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.665968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.665968 (E_RNA)
where:
Base-Base interactions energy: -387.792
where: short stacking energy: -171.520
Base-Backbone interact. energy: 0.099
local terms energy: -176.973462
where:
bonds (distance) C4'-P energy: -34.986
bonds (distance) P-C4' energy: -33.975
flat angles C4'-P-C4' energy: -35.435
flat angles P-C4'-P energy: -21.654
tors. eta vs tors. theta energy: -50.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -534.459431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.459431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.459431 (E_RNA)
where:
Base-Base interactions energy: -373.351
where: short stacking energy: -152.793
Base-Backbone interact. energy: -0.715
local terms energy: -160.394193
where:
bonds (distance) C4'-P energy: -28.574
bonds (distance) P-C4' energy: -30.330
flat angles C4'-P-C4' energy: -34.021
flat angles P-C4'-P energy: -24.856
tors. eta vs tors. theta energy: -42.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -522.956517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.956517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.956517 (E_RNA)
where:
Base-Base interactions energy: -359.247
where: short stacking energy: -158.080
Base-Backbone interact. energy: -0.301
local terms energy: -163.408944
where:
bonds (distance) C4'-P energy: -28.765
bonds (distance) P-C4' energy: -32.512
flat angles C4'-P-C4' energy: -33.172
flat angles P-C4'-P energy: -26.625
tors. eta vs tors. theta energy: -42.335
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: 6, replica: 1
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -518.614771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.614771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.614771 (E_RNA)
where:
Base-Base interactions energy: -355.457
where: short stacking energy: -160.986
Base-Backbone interact. energy: -0.853
local terms energy: -162.304608
where:
bonds (distance) C4'-P energy: -35.654
bonds (distance) P-C4' energy: -28.213
flat angles C4'-P-C4' energy: -38.061
flat angles P-C4'-P energy: -13.752
tors. eta vs tors. theta energy: -46.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -452.380134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.380134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.380134 (E_RNA)
where:
Base-Base interactions energy: -307.463
where: short stacking energy: -125.777
Base-Backbone interact. energy: 2.697
local terms energy: -147.614705
where:
bonds (distance) C4'-P energy: -26.198
bonds (distance) P-C4' energy: -31.591
flat angles C4'-P-C4' energy: -32.756
flat angles P-C4'-P energy: -19.931
tors. eta vs tors. theta energy: -37.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -434.233984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.233984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.233984 (E_RNA)
where:
Base-Base interactions energy: -295.571
where: short stacking energy: -124.149
Base-Backbone interact. energy: 0.445
local terms energy: -139.107408
where:
bonds (distance) C4'-P energy: -25.490
bonds (distance) P-C4' energy: -24.299
flat angles C4'-P-C4' energy: -30.762
flat angles P-C4'-P energy: -24.106
tors. eta vs tors. theta energy: -34.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -388.425390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.425390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.425390 (E_RNA)
where:
Base-Base interactions energy: -254.433
where: short stacking energy: -101.388
Base-Backbone interact. energy: -1.043
local terms energy: -132.949569
where:
bonds (distance) C4'-P energy: -29.610
bonds (distance) P-C4' energy: -33.189
flat angles C4'-P-C4' energy: -25.413
flat angles P-C4'-P energy: -25.464
tors. eta vs tors. theta energy: -19.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -335.350076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.350076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.350076 (E_RNA)
where:
Base-Base interactions energy: -212.805
where: short stacking energy: -103.137
Base-Backbone interact. energy: -0.215
local terms energy: -122.329710
where:
bonds (distance) C4'-P energy: -28.705
bonds (distance) P-C4' energy: -29.113
flat angles C4'-P-C4' energy: -25.313
flat angles P-C4'-P energy: -15.849
tors. eta vs tors. theta energy: -23.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -580.829655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.829655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.829655 (E_RNA)
where:
Base-Base interactions energy: -409.384
where: short stacking energy: -175.142
Base-Backbone interact. energy: -0.408
local terms energy: -171.037125
where:
bonds (distance) C4'-P energy: -33.243
bonds (distance) P-C4' energy: -31.825
flat angles C4'-P-C4' energy: -34.053
flat angles P-C4'-P energy: -25.671
tors. eta vs tors. theta energy: -46.245
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: 5
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -553.248787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.248787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.248787 (E_RNA)
where:
Base-Base interactions energy: -393.384
where: short stacking energy: -173.855
Base-Backbone interact. energy: -1.400
local terms energy: -158.464837
where:
bonds (distance) C4'-P energy: -31.966
bonds (distance) P-C4' energy: -30.354
flat angles C4'-P-C4' energy: -34.804
flat angles P-C4'-P energy: -15.251
tors. eta vs tors. theta energy: -46.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -555.844853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.844853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.844853 (E_RNA)
where:
Base-Base interactions energy: -389.420
where: short stacking energy: -158.794
Base-Backbone interact. energy: -2.352
local terms energy: -164.072668
where:
bonds (distance) C4'-P energy: -31.731
bonds (distance) P-C4' energy: -31.678
flat angles C4'-P-C4' energy: -36.626
flat angles P-C4'-P energy: -21.587
tors. eta vs tors. theta energy: -42.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -538.534693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.534693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.534693 (E_RNA)
where:
Base-Base interactions energy: -376.160
where: short stacking energy: -166.082
Base-Backbone interact. energy: -1.657
local terms energy: -160.717331
where:
bonds (distance) C4'-P energy: -31.073
bonds (distance) P-C4' energy: -31.881
flat angles C4'-P-C4' energy: -24.102
flat angles P-C4'-P energy: -24.627
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: 5, replica: 6
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -519.961373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.961373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.961373 (E_RNA)
where:
Base-Base interactions energy: -359.285
where: short stacking energy: -165.090
Base-Backbone interact. energy: 0.742
local terms energy: -161.418126
where:
bonds (distance) C4'-P energy: -30.980
bonds (distance) P-C4' energy: -32.548
flat angles C4'-P-C4' energy: -32.348
flat angles P-C4'-P energy: -23.554
tors. eta vs tors. theta energy: -41.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -464.776806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.776806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.776806 (E_RNA)
where:
Base-Base interactions energy: -323.213
where: short stacking energy: -159.656
Base-Backbone interact. energy: -1.016
local terms energy: -140.548307
where:
bonds (distance) C4'-P energy: -22.545
bonds (distance) P-C4' energy: -30.368
flat angles C4'-P-C4' energy: -30.431
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -43.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -512.358511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.358511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.358511 (E_RNA)
where:
Base-Base interactions energy: -358.021
where: short stacking energy: -161.473
Base-Backbone interact. energy: -0.324
local terms energy: -154.012678
where:
bonds (distance) C4'-P energy: -30.499
bonds (distance) P-C4' energy: -25.018
flat angles C4'-P-C4' energy: -29.931
flat angles P-C4'-P energy: -26.758
tors. eta vs tors. theta energy: -41.806
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: 4
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -432.881513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.881513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.881513 (E_RNA)
where:
Base-Base interactions energy: -302.168
where: short stacking energy: -127.962
Base-Backbone interact. energy: -1.149
local terms energy: -129.565199
where:
bonds (distance) C4'-P energy: -28.768
bonds (distance) P-C4' energy: -32.853
flat angles C4'-P-C4' energy: -32.438
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -24.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -374.273924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.273924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.273924 (E_RNA)
where:
Base-Base interactions energy: -248.678
where: short stacking energy: -111.820
Base-Backbone interact. energy: -0.675
local terms energy: -124.920824
where:
bonds (distance) C4'-P energy: -20.453
bonds (distance) P-C4' energy: -35.569
flat angles C4'-P-C4' energy: -30.118
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -26.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -320.330586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.330586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.330586 (E_RNA)
where:
Base-Base interactions energy: -207.781
where: short stacking energy: -83.765
Base-Backbone interact. energy: 2.034
local terms energy: -114.582934
where:
bonds (distance) C4'-P energy: -28.868
bonds (distance) P-C4' energy: -27.960
flat angles C4'-P-C4' energy: -27.287
flat angles P-C4'-P energy: -20.568
tors. eta vs tors. theta energy: -9.899
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: 5
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -561.156269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.156269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.156269 (E_RNA)
where:
Base-Base interactions energy: -390.761
where: short stacking energy: -157.631
Base-Backbone interact. energy: -0.488
local terms energy: -169.907091
where:
bonds (distance) C4'-P energy: -25.928
bonds (distance) P-C4' energy: -37.406
flat angles C4'-P-C4' energy: -37.716
flat angles P-C4'-P energy: -24.236
tors. eta vs tors. theta energy: -44.621
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: 222
Temperature: 0.950000
Total energy: -568.883645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.883645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.883645 (E_RNA)
where:
Base-Base interactions energy: -393.120
where: short stacking energy: -168.493
Base-Backbone interact. energy: -1.157
local terms energy: -174.607318
where:
bonds (distance) C4'-P energy: -27.652
bonds (distance) P-C4' energy: -38.418
flat angles C4'-P-C4' energy: -32.093
flat angles P-C4'-P energy: -22.602
tors. eta vs tors. theta energy: -53.843
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: 3, replica: 7
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -543.812951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.812951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.812951 (E_RNA)
where:
Base-Base interactions energy: -384.428
where: short stacking energy: -164.855
Base-Backbone interact. energy: 0.885
local terms energy: -160.269933
where:
bonds (distance) C4'-P energy: -27.458
bonds (distance) P-C4' energy: -35.682
flat angles C4'-P-C4' energy: -32.981
flat angles P-C4'-P energy: -17.747
tors. eta vs tors. theta energy: -46.402
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: 4, replica: 8
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -534.195942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.195942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.195942 (E_RNA)
where:
Base-Base interactions energy: -375.953
where: short stacking energy: -160.597
Base-Backbone interact. energy: -0.898
local terms energy: -157.345097
where:
bonds (distance) C4'-P energy: -31.646
bonds (distance) P-C4' energy: -32.203
flat angles C4'-P-C4' energy: -30.155
flat angles P-C4'-P energy: -17.412
tors. eta vs tors. theta energy: -45.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -502.798980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.798980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.798980 (E_RNA)
where:
Base-Base interactions energy: -362.963
where: short stacking energy: -163.635
Base-Backbone interact. energy: -1.649
local terms energy: -138.187171
where:
bonds (distance) C4'-P energy: -27.056
bonds (distance) P-C4' energy: -26.330
flat angles C4'-P-C4' energy: -26.784
flat angles P-C4'-P energy: -16.864
tors. eta vs tors. theta energy: -41.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -458.440732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.440732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.440732 (E_RNA)
where:
Base-Base interactions energy: -304.163
where: short stacking energy: -124.448
Base-Backbone interact. energy: -0.190
local terms energy: -154.087245
where:
bonds (distance) C4'-P energy: -27.603
bonds (distance) P-C4' energy: -30.661
flat angles C4'-P-C4' energy: -37.302
flat angles P-C4'-P energy: -25.810
tors. eta vs tors. theta energy: -32.711
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: 1
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -487.307679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.307679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.307679 (E_RNA)
where:
Base-Base interactions energy: -340.765
where: short stacking energy: -140.601
Base-Backbone interact. energy: -0.456
local terms energy: -146.087457
where:
bonds (distance) C4'-P energy: -21.064
bonds (distance) P-C4' energy: -32.332
flat angles C4'-P-C4' energy: -32.030
flat angles P-C4'-P energy: -16.894
tors. eta vs tors. theta energy: -43.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -434.870576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.870576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.870576 (E_RNA)
where:
Base-Base interactions energy: -293.345
where: short stacking energy: -131.659
Base-Backbone interact. energy: -1.582
local terms energy: -139.943394
where:
bonds (distance) C4'-P energy: -29.398
bonds (distance) P-C4' energy: -31.787
flat angles C4'-P-C4' energy: -25.620
flat angles P-C4'-P energy: -19.067
tors. eta vs tors. theta energy: -34.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -346.435116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.435116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.435116 (E_RNA)
where:
Base-Base interactions energy: -235.529
where: short stacking energy: -98.904
Base-Backbone interact. energy: 2.159
local terms energy: -113.065113
where:
bonds (distance) C4'-P energy: -21.908
bonds (distance) P-C4' energy: -28.957
flat angles C4'-P-C4' energy: -23.191
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -25.804
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: 10, replica: 3
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -340.955837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.955837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.955837 (E_RNA)
where:
Base-Base interactions energy: -217.832
where: short stacking energy: -100.613
Base-Backbone interact. energy: -0.740
local terms energy: -122.384483
where:
bonds (distance) C4'-P energy: -24.331
bonds (distance) P-C4' energy: -29.338
flat angles C4'-P-C4' energy: -28.310
flat angles P-C4'-P energy: -22.377
tors. eta vs tors. theta energy: -18.028
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: 5
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -557.157702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.157702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.157702 (E_RNA)
where:
Base-Base interactions energy: -390.335
where: short stacking energy: -168.474
Base-Backbone interact. energy: -0.257
local terms energy: -166.565885
where:
bonds (distance) C4'-P energy: -26.270
bonds (distance) P-C4' energy: -35.936
flat angles C4'-P-C4' energy: -32.864
flat angles P-C4'-P energy: -26.225
tors. eta vs tors. theta energy: -45.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -557.324432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.324432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.324432 (E_RNA)
where:
Base-Base interactions energy: -382.886
where: short stacking energy: -168.902
Base-Backbone interact. energy: -0.369
local terms energy: -174.068906
where:
bonds (distance) C4'-P energy: -29.278
bonds (distance) P-C4' energy: -33.978
flat angles C4'-P-C4' energy: -33.129
flat angles P-C4'-P energy: -28.490
tors. eta vs tors. theta energy: -49.194
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: 223
Temperature: 1.000000
Total energy: -559.934422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.934422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.934422 (E_RNA)
where:
Base-Base interactions energy: -400.408
where: short stacking energy: -171.654
Base-Backbone interact. energy: -1.215
local terms energy: -158.310965
where:
bonds (distance) C4'-P energy: -28.672
bonds (distance) P-C4' energy: -31.784
flat angles C4'-P-C4' energy: -34.416
flat angles P-C4'-P energy: -17.392
tors. eta vs tors. theta energy: -46.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -543.634529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.634529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.634529 (E_RNA)
where:
Base-Base interactions energy: -384.265
where: short stacking energy: -168.189
Base-Backbone interact. energy: -0.063
local terms energy: -159.305905
where:
bonds (distance) C4'-P energy: -19.178
bonds (distance) P-C4' energy: -28.922
flat angles C4'-P-C4' energy: -33.894
flat angles P-C4'-P energy: -25.637
tors. eta vs tors. theta energy: -51.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -528.295043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.295043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.295043 (E_RNA)
where:
Base-Base interactions energy: -370.316
where: short stacking energy: -172.578
Base-Backbone interact. energy: -0.694
local terms energy: -157.285037
where:
bonds (distance) C4'-P energy: -25.594
bonds (distance) P-C4' energy: -34.013
flat angles C4'-P-C4' energy: -29.843
flat angles P-C4'-P energy: -19.833
tors. eta vs tors. theta energy: -48.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -477.603665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.603665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.603665 (E_RNA)
where:
Base-Base interactions energy: -346.147
where: short stacking energy: -143.849
Base-Backbone interact. energy: -1.762
local terms energy: -129.695198
where:
bonds (distance) C4'-P energy: -26.489
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -27.810
flat angles P-C4'-P energy: -17.650
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: 7, replica: 10
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -461.735536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.735536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.735536 (E_RNA)
where:
Base-Base interactions energy: -313.198
where: short stacking energy: -156.275
Base-Backbone interact. energy: -2.214
local terms energy: -146.323575
where:
bonds (distance) C4'-P energy: -26.564
bonds (distance) P-C4' energy: -26.864
flat angles C4'-P-C4' energy: -33.086
flat angles P-C4'-P energy: -17.797
tors. eta vs tors. theta energy: -42.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -445.154584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.154584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.154584 (E_RNA)
where:
Base-Base interactions energy: -316.433
where: short stacking energy: -129.114
Base-Backbone interact. energy: -0.345
local terms energy: -128.377251
where:
bonds (distance) C4'-P energy: -28.339
bonds (distance) P-C4' energy: -24.165
flat angles C4'-P-C4' energy: -34.341
flat angles P-C4'-P energy: -16.764
tors. eta vs tors. theta energy: -24.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -392.016052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.016052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.016052 (E_RNA)
where:
Base-Base interactions energy: -269.286
where: short stacking energy: -106.155
Base-Backbone interact. energy: -0.083
local terms energy: -122.647744
where:
bonds (distance) C4'-P energy: -27.641
bonds (distance) P-C4' energy: -32.446
flat angles C4'-P-C4' energy: -26.526
flat angles P-C4'-P energy: -16.507
tors. eta vs tors. theta energy: -19.528
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: 10, replica: 3
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -344.482435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.482435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.482435 (E_RNA)
where:
Base-Base interactions energy: -220.509
where: short stacking energy: -83.197
Base-Backbone interact. energy: -0.611
local terms energy: -123.362042
where:
bonds (distance) C4'-P energy: -21.647
bonds (distance) P-C4' energy: -34.820
flat angles C4'-P-C4' energy: -29.902
flat angles P-C4'-P energy: -21.649
tors. eta vs tors. theta energy: -15.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -580.248197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.248197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.248197 (E_RNA)
where:
Base-Base interactions energy: -409.123
where: short stacking energy: -182.406
Base-Backbone interact. energy: -0.787
local terms energy: -170.337729
where:
bonds (distance) C4'-P energy: -32.255
bonds (distance) P-C4' energy: -35.758
flat angles C4'-P-C4' energy: -38.332
flat angles P-C4'-P energy: -17.137
tors. eta vs tors. theta energy: -46.855
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: 224
Temperature: 0.950000
Total energy: -550.343552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.343552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.343552 (E_RNA)
where:
Base-Base interactions energy: -377.542
where: short stacking energy: -169.300
Base-Backbone interact. energy: 0.038
local terms energy: -172.840141
where:
bonds (distance) C4'-P energy: -30.923
bonds (distance) P-C4' energy: -35.541
flat angles C4'-P-C4' energy: -37.045
flat angles P-C4'-P energy: -23.973
tors. eta vs tors. theta energy: -45.358
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: 7
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -564.718410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.718410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.718410 (E_RNA)
where:
Base-Base interactions energy: -393.438
where: short stacking energy: -166.347
Base-Backbone interact. energy: -3.081
local terms energy: -168.199025
where:
bonds (distance) C4'-P energy: -31.616
bonds (distance) P-C4' energy: -33.645
flat angles C4'-P-C4' energy: -35.816
flat angles P-C4'-P energy: -19.804
tors. eta vs tors. theta energy: -47.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -539.774124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.774124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.774124 (E_RNA)
where:
Base-Base interactions energy: -380.160
where: short stacking energy: -152.835
Base-Backbone interact. energy: -0.593
local terms energy: -159.021485
where:
bonds (distance) C4'-P energy: -20.255
bonds (distance) P-C4' energy: -32.801
flat angles C4'-P-C4' energy: -37.227
flat angles P-C4'-P energy: -21.369
tors. eta vs tors. theta energy: -47.370
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: 6
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -513.580274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.580274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.580274 (E_RNA)
where:
Base-Base interactions energy: -357.734
where: short stacking energy: -165.556
Base-Backbone interact. energy: -0.236
local terms energy: -155.611028
where:
bonds (distance) C4'-P energy: -27.705
bonds (distance) P-C4' energy: -27.652
flat angles C4'-P-C4' energy: -34.034
flat angles P-C4'-P energy: -21.728
tors. eta vs tors. theta energy: -44.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -461.403841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.403841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.403841 (E_RNA)
where:
Base-Base interactions energy: -311.982
where: short stacking energy: -156.054
Base-Backbone interact. energy: 0.414
local terms energy: -149.834985
where:
bonds (distance) C4'-P energy: -23.900
bonds (distance) P-C4' energy: -29.301
flat angles C4'-P-C4' energy: -30.765
flat angles P-C4'-P energy: -27.706
tors. eta vs tors. theta energy: -38.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -483.015448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.015448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.015448 (E_RNA)
where:
Base-Base interactions energy: -329.201
where: short stacking energy: -145.276
Base-Backbone interact. energy: -0.499
local terms energy: -153.314962
where:
bonds (distance) C4'-P energy: -28.525
bonds (distance) P-C4' energy: -31.165
flat angles C4'-P-C4' energy: -31.030
flat angles P-C4'-P energy: -24.388
tors. eta vs tors. theta energy: -38.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -422.490418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.490418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.490418 (E_RNA)
where:
Base-Base interactions energy: -293.332
where: short stacking energy: -135.731
Base-Backbone interact. energy: 0.520
local terms energy: -129.678226
where:
bonds (distance) C4'-P energy: -27.345
bonds (distance) P-C4' energy: -25.337
flat angles C4'-P-C4' energy: -29.825
flat angles P-C4'-P energy: -16.465
tors. eta vs tors. theta energy: -30.707
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: 3
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -315.729775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.729775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.729775 (E_RNA)
where:
Base-Base interactions energy: -195.320
where: short stacking energy: -99.133
Base-Backbone interact. energy: -1.087
local terms energy: -119.322792
where:
bonds (distance) C4'-P energy: -27.070
bonds (distance) P-C4' energy: -26.268
flat angles C4'-P-C4' energy: -27.223
flat angles P-C4'-P energy: -15.588
tors. eta vs tors. theta energy: -23.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -393.359852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.359852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.359852 (E_RNA)
where:
Base-Base interactions energy: -288.551
where: short stacking energy: -116.624
Base-Backbone interact. energy: 0.997
local terms energy: -105.806222
where:
bonds (distance) C4'-P energy: -22.081
bonds (distance) P-C4' energy: -34.390
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -22.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -575.950748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.950748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.950748 (E_RNA)
where:
Base-Base interactions energy: -402.647
where: short stacking energy: -185.198
Base-Backbone interact. energy: 0.114
local terms energy: -173.417980
where:
bonds (distance) C4'-P energy: -29.099
bonds (distance) P-C4' energy: -34.315
flat angles C4'-P-C4' energy: -39.718
flat angles P-C4'-P energy: -22.437
tors. eta vs tors. theta energy: -47.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -581.518237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.518237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.518237 (E_RNA)
where:
Base-Base interactions energy: -410.033
where: short stacking energy: -165.009
Base-Backbone interact. energy: -1.402
local terms energy: -170.083797
where:
bonds (distance) C4'-P energy: -32.092
bonds (distance) P-C4' energy: -31.120
flat angles C4'-P-C4' energy: -34.069
flat angles P-C4'-P energy: -25.252
tors. eta vs tors. theta energy: -47.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -524.423192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.423192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.423192 (E_RNA)
where:
Base-Base interactions energy: -370.947
where: short stacking energy: -159.180
Base-Backbone interact. energy: -0.384
local terms energy: -153.092336
where:
bonds (distance) C4'-P energy: -28.669
bonds (distance) P-C4' energy: -26.544
flat angles C4'-P-C4' energy: -37.983
flat angles P-C4'-P energy: -19.122
tors. eta vs tors. theta energy: -40.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -534.188715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.188715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.188715 (E_RNA)
where:
Base-Base interactions energy: -379.724
where: short stacking energy: -162.993
Base-Backbone interact. energy: 1.587
local terms energy: -156.051264
where:
bonds (distance) C4'-P energy: -31.944
bonds (distance) P-C4' energy: -26.830
flat angles C4'-P-C4' energy: -30.079
flat angles P-C4'-P energy: -24.607
tors. eta vs tors. theta energy: -42.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -521.492097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.492097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.492097 (E_RNA)
where:
Base-Base interactions energy: -360.288
where: short stacking energy: -167.059
Base-Backbone interact. energy: -0.092
local terms energy: -161.111917
where:
bonds (distance) C4'-P energy: -26.839
bonds (distance) P-C4' energy: -31.526
flat angles C4'-P-C4' energy: -36.311
flat angles P-C4'-P energy: -24.163
tors. eta vs tors. theta energy: -42.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -488.152875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.152875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.152875 (E_RNA)
where:
Base-Base interactions energy: -324.634
where: short stacking energy: -147.458
Base-Backbone interact. energy: -1.753
local terms energy: -161.766103
where:
bonds (distance) C4'-P energy: -32.144
bonds (distance) P-C4' energy: -38.344
flat angles C4'-P-C4' energy: -34.146
flat angles P-C4'-P energy: -20.145
tors. eta vs tors. theta energy: -36.987
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: 7, replica: 1
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -402.885450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.885450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.885450 (E_RNA)
where:
Base-Base interactions energy: -272.138
where: short stacking energy: -127.256
Base-Backbone interact. energy: 2.077
local terms energy: -132.823755
where:
bonds (distance) C4'-P energy: -31.374
bonds (distance) P-C4' energy: -24.807
flat angles C4'-P-C4' energy: -32.955
flat angles P-C4'-P energy: -21.812
tors. eta vs tors. theta energy: -21.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -420.220434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.220434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.220434 (E_RNA)
where:
Base-Base interactions energy: -281.802
where: short stacking energy: -127.466
Base-Backbone interact. energy: -0.158
local terms energy: -138.260476
where:
bonds (distance) C4'-P energy: -24.955
bonds (distance) P-C4' energy: -32.298
flat angles C4'-P-C4' energy: -29.404
flat angles P-C4'-P energy: -19.056
tors. eta vs tors. theta energy: -32.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -348.123189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.123189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.123189 (E_RNA)
where:
Base-Base interactions energy: -222.236
where: short stacking energy: -101.349
Base-Backbone interact. energy: -0.517
local terms energy: -125.370608
where:
bonds (distance) C4'-P energy: -23.090
bonds (distance) P-C4' energy: -34.706
flat angles C4'-P-C4' energy: -23.259
flat angles P-C4'-P energy: -20.559
tors. eta vs tors. theta energy: -23.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -324.691986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.691986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.691986 (E_RNA)
where:
Base-Base interactions energy: -213.521
where: short stacking energy: -82.378
Base-Backbone interact. energy: 1.762
local terms energy: -112.933485
where:
bonds (distance) C4'-P energy: -18.313
bonds (distance) P-C4' energy: -31.088
flat angles C4'-P-C4' energy: -30.773
flat angles P-C4'-P energy: -21.824
tors. eta vs tors. theta energy: -10.936
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: 2
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -579.299404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.299404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.299404 (E_RNA)
where:
Base-Base interactions energy: -399.845
where: short stacking energy: -187.515
Base-Backbone interact. energy: -0.448
local terms energy: -179.007079
where:
bonds (distance) C4'-P energy: -29.738
bonds (distance) P-C4' energy: -38.468
flat angles C4'-P-C4' energy: -33.047
flat angles P-C4'-P energy: -28.595
tors. eta vs tors. theta energy: -49.159
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: 7
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -575.930038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.930038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.930038 (E_RNA)
where:
Base-Base interactions energy: -411.776
where: short stacking energy: -169.965
Base-Backbone interact. energy: -2.175
local terms energy: -161.978985
where:
bonds (distance) C4'-P energy: -28.641
bonds (distance) P-C4' energy: -28.002
flat angles C4'-P-C4' energy: -31.887
flat angles P-C4'-P energy: -25.487
tors. eta vs tors. theta energy: -47.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -546.277217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.277217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.277217 (E_RNA)
where:
Base-Base interactions energy: -379.090
where: short stacking energy: -156.879
Base-Backbone interact. energy: -2.147
local terms energy: -165.040320
where:
bonds (distance) C4'-P energy: -24.674
bonds (distance) P-C4' energy: -36.306
flat angles C4'-P-C4' energy: -32.488
flat angles P-C4'-P energy: -23.725
tors. eta vs tors. theta energy: -47.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -527.521217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.521217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.521217 (E_RNA)
where:
Base-Base interactions energy: -362.146
where: short stacking energy: -154.571
Base-Backbone interact. energy: -0.426
local terms energy: -164.948907
where:
bonds (distance) C4'-P energy: -27.577
bonds (distance) P-C4' energy: -37.048
flat angles C4'-P-C4' energy: -33.865
flat angles P-C4'-P energy: -26.978
tors. eta vs tors. theta energy: -39.482
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: 6
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -536.841698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.841698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.841698 (E_RNA)
where:
Base-Base interactions energy: -364.025
where: short stacking energy: -170.421
Base-Backbone interact. energy: -0.022
local terms energy: -172.794546
where:
bonds (distance) C4'-P energy: -33.501
bonds (distance) P-C4' energy: -27.572
flat angles C4'-P-C4' energy: -37.305
flat angles P-C4'-P energy: -23.839
tors. eta vs tors. theta energy: -50.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -469.728946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.728946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.728946 (E_RNA)
where:
Base-Base interactions energy: -319.238
where: short stacking energy: -141.523
Base-Backbone interact. energy: -1.562
local terms energy: -148.929356
where:
bonds (distance) C4'-P energy: -29.438
bonds (distance) P-C4' energy: -26.678
flat angles C4'-P-C4' energy: -34.854
flat angles P-C4'-P energy: -19.159
tors. eta vs tors. theta energy: -38.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -444.129297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.129297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.129297 (E_RNA)
where:
Base-Base interactions energy: -305.256
where: short stacking energy: -130.995
Base-Backbone interact. energy: -0.626
local terms energy: -138.247994
where:
bonds (distance) C4'-P energy: -30.014
bonds (distance) P-C4' energy: -29.989
flat angles C4'-P-C4' energy: -27.531
flat angles P-C4'-P energy: -21.809
tors. eta vs tors. theta energy: -28.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -391.363575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.363575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.363575 (E_RNA)
where:
Base-Base interactions energy: -259.442
where: short stacking energy: -117.053
Base-Backbone interact. energy: 0.449
local terms energy: -132.370549
where:
bonds (distance) C4'-P energy: -22.978
bonds (distance) P-C4' energy: -35.723
flat angles C4'-P-C4' energy: -26.715
flat angles P-C4'-P energy: -14.642
tors. eta vs tors. theta energy: -32.313
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: 9, replica: 9
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -371.292005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.292005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.292005 (E_RNA)
where:
Base-Base interactions energy: -256.650
where: short stacking energy: -105.339
Base-Backbone interact. energy: 1.000
local terms energy: -115.641777
where:
bonds (distance) C4'-P energy: -31.406
bonds (distance) P-C4' energy: -25.431
flat angles C4'-P-C4' energy: -22.063
flat angles P-C4'-P energy: -19.686
tors. eta vs tors. theta energy: -17.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -349.451248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.451248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.451248 (E_RNA)
where:
Base-Base interactions energy: -232.306
where: short stacking energy: -101.864
Base-Backbone interact. energy: 2.456
local terms energy: -119.600489
where:
bonds (distance) C4'-P energy: -23.677
bonds (distance) P-C4' energy: -24.172
flat angles C4'-P-C4' energy: -23.516
flat angles P-C4'-P energy: -20.663
tors. eta vs tors. theta energy: -27.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -579.026908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.026908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.026908 (E_RNA)
where:
Base-Base interactions energy: -399.792
where: short stacking energy: -179.109
Base-Backbone interact. energy: -0.034
local terms energy: -179.201182
where:
bonds (distance) C4'-P energy: -32.797
bonds (distance) P-C4' energy: -35.135
flat angles C4'-P-C4' energy: -39.240
flat angles P-C4'-P energy: -24.487
tors. eta vs tors. theta energy: -47.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -581.141645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.141645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.141645 (E_RNA)
where:
Base-Base interactions energy: -411.034
where: short stacking energy: -166.471
Base-Backbone interact. energy: -1.693
local terms energy: -168.415322
where:
bonds (distance) C4'-P energy: -28.953
bonds (distance) P-C4' energy: -31.304
flat angles C4'-P-C4' energy: -35.029
flat angles P-C4'-P energy: -20.811
tors. eta vs tors. theta energy: -52.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -545.366216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.366216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.366216 (E_RNA)
where:
Base-Base interactions energy: -381.802
where: short stacking energy: -166.719
Base-Backbone interact. energy: -0.494
local terms energy: -163.070447
where:
bonds (distance) C4'-P energy: -26.578
bonds (distance) P-C4' energy: -27.683
flat angles C4'-P-C4' energy: -37.900
flat angles P-C4'-P energy: -26.824
tors. eta vs tors. theta energy: -44.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -534.461796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.461796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.461796 (E_RNA)
where:
Base-Base interactions energy: -376.548
where: short stacking energy: -188.284
Base-Backbone interact. energy: -0.679
local terms energy: -157.234293
where:
bonds (distance) C4'-P energy: -23.520
bonds (distance) P-C4' energy: -31.818
flat angles C4'-P-C4' energy: -29.254
flat angles P-C4'-P energy: -24.377
tors. eta vs tors. theta energy: -48.265
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: 5
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -536.354288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.354288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.354288 (E_RNA)
where:
Base-Base interactions energy: -370.797
where: short stacking energy: -161.809
Base-Backbone interact. energy: -0.130
local terms energy: -165.427582
where:
bonds (distance) C4'-P energy: -29.998
bonds (distance) P-C4' energy: -27.588
flat angles C4'-P-C4' energy: -34.459
flat angles P-C4'-P energy: -26.528
tors. eta vs tors. theta energy: -46.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -466.437701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.437701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.437701 (E_RNA)
where:
Base-Base interactions energy: -317.428
where: short stacking energy: -146.585
Base-Backbone interact. energy: -1.619
local terms energy: -147.390959
where:
bonds (distance) C4'-P energy: -25.979
bonds (distance) P-C4' energy: -32.505
flat angles C4'-P-C4' energy: -34.014
flat angles P-C4'-P energy: -24.710
tors. eta vs tors. theta energy: -30.184
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: 7, replica: 4
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -438.591761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.591761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.591761 (E_RNA)
where:
Base-Base interactions energy: -306.379
where: short stacking energy: -138.202
Base-Backbone interact. energy: 1.719
local terms energy: -133.931498
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -32.203
flat angles C4'-P-C4' energy: -35.096
flat angles P-C4'-P energy: -20.701
tors. eta vs tors. theta energy: -29.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -402.865124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.865124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.865124 (E_RNA)
where:
Base-Base interactions energy: -282.667
where: short stacking energy: -126.833
Base-Backbone interact. energy: -0.607
local terms energy: -119.590986
where:
bonds (distance) C4'-P energy: -18.143
bonds (distance) P-C4' energy: -26.061
flat angles C4'-P-C4' energy: -27.084
flat angles P-C4'-P energy: -15.291
tors. eta vs tors. theta energy: -33.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -399.452165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.452165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.452165 (E_RNA)
where:
Base-Base interactions energy: -270.698
where: short stacking energy: -103.456
Base-Backbone interact. energy: -1.054
local terms energy: -127.699488
where:
bonds (distance) C4'-P energy: -29.572
bonds (distance) P-C4' energy: -27.668
flat angles C4'-P-C4' energy: -27.449
flat angles P-C4'-P energy: -16.385
tors. eta vs tors. theta energy: -26.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -329.752886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.752886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.752886 (E_RNA)
where:
Base-Base interactions energy: -212.992
where: short stacking energy: -87.120
Base-Backbone interact. energy: -1.482
local terms energy: -115.278570
where:
bonds (distance) C4'-P energy: -29.553
bonds (distance) P-C4' energy: -29.043
flat angles C4'-P-C4' energy: -29.329
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -17.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -582.438632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.438632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.438632 (E_RNA)
where:
Base-Base interactions energy: -403.130
where: short stacking energy: -162.351
Base-Backbone interact. energy: -0.797
local terms energy: -178.510955
where:
bonds (distance) C4'-P energy: -29.192
bonds (distance) P-C4' energy: -39.100
flat angles C4'-P-C4' energy: -33.334
flat angles P-C4'-P energy: -27.798
tors. eta vs tors. theta energy: -49.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -569.848346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.848346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.848346 (E_RNA)
where:
Base-Base interactions energy: -399.720
where: short stacking energy: -184.875
Base-Backbone interact. energy: -0.656
local terms energy: -169.472644
where:
bonds (distance) C4'-P energy: -32.441
bonds (distance) P-C4' energy: -28.498
flat angles C4'-P-C4' energy: -38.017
flat angles P-C4'-P energy: -22.739
tors. eta vs tors. theta energy: -47.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -535.051671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.051671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.051671 (E_RNA)
where:
Base-Base interactions energy: -377.763
where: short stacking energy: -169.410
Base-Backbone interact. energy: -0.717
local terms energy: -156.571633
where:
bonds (distance) C4'-P energy: -21.869
bonds (distance) P-C4' energy: -29.461
flat angles C4'-P-C4' energy: -35.017
flat angles P-C4'-P energy: -23.428
tors. eta vs tors. theta energy: -46.797
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: 8
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -550.729201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.729201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.729201 (E_RNA)
where:
Base-Base interactions energy: -383.656
where: short stacking energy: -169.066
Base-Backbone interact. energy: -1.710
local terms energy: -165.363212
where:
bonds (distance) C4'-P energy: -31.717
bonds (distance) P-C4' energy: -24.908
flat angles C4'-P-C4' energy: -33.462
flat angles P-C4'-P energy: -27.935
tors. eta vs tors. theta energy: -47.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -532.798228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.798228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.798228 (E_RNA)
where:
Base-Base interactions energy: -361.984
where: short stacking energy: -165.633
Base-Backbone interact. energy: -0.070
local terms energy: -170.744045
where:
bonds (distance) C4'-P energy: -31.136
bonds (distance) P-C4' energy: -29.416
flat angles C4'-P-C4' energy: -33.442
flat angles P-C4'-P energy: -28.452
tors. eta vs tors. theta energy: -48.297
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: 10
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -469.537985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.537985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.537985 (E_RNA)
where:
Base-Base interactions energy: -318.441
where: short stacking energy: -148.987
Base-Backbone interact. energy: -0.890
local terms energy: -150.207008
where:
bonds (distance) C4'-P energy: -26.309
bonds (distance) P-C4' energy: -28.898
flat angles C4'-P-C4' energy: -27.515
flat angles P-C4'-P energy: -27.781
tors. eta vs tors. theta energy: -39.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -426.137973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.137973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.137973 (E_RNA)
where:
Base-Base interactions energy: -271.411
where: short stacking energy: -121.429
Base-Backbone interact. energy: -0.318
local terms energy: -154.408900
where:
bonds (distance) C4'-P energy: -30.008
bonds (distance) P-C4' energy: -37.972
flat angles C4'-P-C4' energy: -34.886
flat angles P-C4'-P energy: -19.753
tors. eta vs tors. theta energy: -31.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -448.080955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.080955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.080955 (E_RNA)
where:
Base-Base interactions energy: -311.703
where: short stacking energy: -136.722
Base-Backbone interact. energy: -0.895
local terms energy: -135.483102
where:
bonds (distance) C4'-P energy: -28.215
bonds (distance) P-C4' energy: -21.856
flat angles C4'-P-C4' energy: -32.442
flat angles P-C4'-P energy: -20.349
tors. eta vs tors. theta energy: -32.621
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: 9, replica: 3
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -376.557456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.557456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.557456 (E_RNA)
where:
Base-Base interactions energy: -252.075
where: short stacking energy: -113.922
Base-Backbone interact. energy: -0.555
local terms energy: -123.928334
where:
bonds (distance) C4'-P energy: -20.874
bonds (distance) P-C4' energy: -32.253
flat angles C4'-P-C4' energy: -21.538
flat angles P-C4'-P energy: -23.448
tors. eta vs tors. theta energy: -25.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -362.995683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.995683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.995683 (E_RNA)
where:
Base-Base interactions energy: -240.916
where: short stacking energy: -102.388
Base-Backbone interact. energy: -0.556
local terms energy: -121.523700
where:
bonds (distance) C4'-P energy: -24.396
bonds (distance) P-C4' energy: -32.234
flat angles C4'-P-C4' energy: -26.573
flat angles P-C4'-P energy: -15.384
tors. eta vs tors. theta energy: -22.937
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: 1, replica: 7
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -584.683254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.683254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.683254 (E_RNA)
where:
Base-Base interactions energy: -414.220
where: short stacking energy: -171.962
Base-Backbone interact. energy: -0.735
local terms energy: -169.727924
where:
bonds (distance) C4'-P energy: -29.587
bonds (distance) P-C4' energy: -33.337
flat angles C4'-P-C4' energy: -33.695
flat angles P-C4'-P energy: -23.297
tors. eta vs tors. theta energy: -49.812
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: 2
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -568.883063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.883063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.883063 (E_RNA)
where:
Base-Base interactions energy: -394.591
where: short stacking energy: -176.388
Base-Backbone interact. energy: -0.065
local terms energy: -174.227022
where:
bonds (distance) C4'-P energy: -32.416
bonds (distance) P-C4' energy: -34.469
flat angles C4'-P-C4' energy: -33.667
flat angles P-C4'-P energy: -27.687
tors. eta vs tors. theta energy: -45.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -540.890660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.890660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.890660 (E_RNA)
where:
Base-Base interactions energy: -362.635
where: short stacking energy: -160.671
Base-Backbone interact. energy: -0.076
local terms energy: -178.179770
where:
bonds (distance) C4'-P energy: -24.548
bonds (distance) P-C4' energy: -37.718
flat angles C4'-P-C4' energy: -38.400
flat angles P-C4'-P energy: -27.647
tors. eta vs tors. theta energy: -49.867
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: 8
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -554.113299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.113299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.113299 (E_RNA)
where:
Base-Base interactions energy: -390.618
where: short stacking energy: -165.971
Base-Backbone interact. energy: 0.640
local terms energy: -164.135046
where:
bonds (distance) C4'-P energy: -29.096
bonds (distance) P-C4' energy: -30.937
flat angles C4'-P-C4' energy: -33.737
flat angles P-C4'-P energy: -21.753
tors. eta vs tors. theta energy: -48.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -511.244468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.244468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.244468 (E_RNA)
where:
Base-Base interactions energy: -342.204
where: short stacking energy: -154.197
Base-Backbone interact. energy: -0.488
local terms energy: -168.551928
where:
bonds (distance) C4'-P energy: -32.481
bonds (distance) P-C4' energy: -36.374
flat angles C4'-P-C4' energy: -33.511
flat angles P-C4'-P energy: -24.572
tors. eta vs tors. theta energy: -41.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -456.784509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.784509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.784509 (E_RNA)
where:
Base-Base interactions energy: -310.577
where: short stacking energy: -141.611
Base-Backbone interact. energy: -0.163
local terms energy: -146.043838
where:
bonds (distance) C4'-P energy: -30.417
bonds (distance) P-C4' energy: -34.796
flat angles C4'-P-C4' energy: -31.794
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -34.500
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: 1
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -399.298998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.298998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.298998 (E_RNA)
where:
Base-Base interactions energy: -261.611
where: short stacking energy: -110.078
Base-Backbone interact. energy: -0.229
local terms energy: -137.458877
where:
bonds (distance) C4'-P energy: -32.213
bonds (distance) P-C4' energy: -35.767
flat angles C4'-P-C4' energy: -28.357
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -28.516
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: 4
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -441.745903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.745903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.745903 (E_RNA)
where:
Base-Base interactions energy: -312.399
where: short stacking energy: -139.890
Base-Backbone interact. energy: -0.288
local terms energy: -129.059519
where:
bonds (distance) C4'-P energy: -24.650
bonds (distance) P-C4' energy: -27.964
flat angles C4'-P-C4' energy: -26.915
flat angles P-C4'-P energy: -20.464
tors. eta vs tors. theta energy: -29.067
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: 3
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -391.765438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.765438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.765438 (E_RNA)
where:
Base-Base interactions energy: -269.688
where: short stacking energy: -119.347
Base-Backbone interact. energy: -0.120
local terms energy: -121.957759
where:
bonds (distance) C4'-P energy: -22.131
bonds (distance) P-C4' energy: -24.240
flat angles C4'-P-C4' energy: -24.145
flat angles P-C4'-P energy: -19.288
tors. eta vs tors. theta energy: -32.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -381.052464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.052464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.052464 (E_RNA)
where:
Base-Base interactions energy: -257.779
where: short stacking energy: -106.799
Base-Backbone interact. energy: -0.276
local terms energy: -122.998236
where:
bonds (distance) C4'-P energy: -22.694
bonds (distance) P-C4' energy: -27.350
flat angles C4'-P-C4' energy: -23.584
flat angles P-C4'-P energy: -23.883
tors. eta vs tors. theta energy: -25.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -580.240289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.240289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.240289 (E_RNA)
where:
Base-Base interactions energy: -400.097
where: short stacking energy: -176.630
Base-Backbone interact. energy: -0.449
local terms energy: -179.694134
where:
bonds (distance) C4'-P energy: -32.888
bonds (distance) P-C4' energy: -35.254
flat angles C4'-P-C4' energy: -35.133
flat angles P-C4'-P energy: -28.075
tors. eta vs tors. theta energy: -48.344
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: 7
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -578.225151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.225151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.225151 (E_RNA)
where:
Base-Base interactions energy: -412.170
where: short stacking energy: -161.187
Base-Backbone interact. energy: -1.775
local terms energy: -164.280388
where:
bonds (distance) C4'-P energy: -23.579
bonds (distance) P-C4' energy: -30.457
flat angles C4'-P-C4' energy: -34.841
flat angles P-C4'-P energy: -26.423
tors. eta vs tors. theta energy: -48.981
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: 8
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -559.789536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.789536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.789536 (E_RNA)
where:
Base-Base interactions energy: -393.649
where: short stacking energy: -172.521
Base-Backbone interact. energy: -2.151
local terms energy: -163.988842
where:
bonds (distance) C4'-P energy: -25.942
bonds (distance) P-C4' energy: -29.714
flat angles C4'-P-C4' energy: -36.384
flat angles P-C4'-P energy: -28.546
tors. eta vs tors. theta energy: -43.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -528.292550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.292550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.292550 (E_RNA)
where:
Base-Base interactions energy: -367.069
where: short stacking energy: -169.096
Base-Backbone interact. energy: -0.270
local terms energy: -160.953202
where:
bonds (distance) C4'-P energy: -28.832
bonds (distance) P-C4' energy: -33.044
flat angles C4'-P-C4' energy: -37.635
flat angles P-C4'-P energy: -19.173
tors. eta vs tors. theta energy: -42.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -481.126335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.126335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.126335 (E_RNA)
where:
Base-Base interactions energy: -327.304
where: short stacking energy: -146.494
Base-Backbone interact. energy: -0.136
local terms energy: -153.686433
where:
bonds (distance) C4'-P energy: -29.847
bonds (distance) P-C4' energy: -31.954
flat angles C4'-P-C4' energy: -34.625
flat angles P-C4'-P energy: -20.971
tors. eta vs tors. theta energy: -36.289
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: 230
Temperature: 1.150000
Total energy: -523.654731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.654731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.654731 (E_RNA)
where:
Base-Base interactions energy: -363.407
where: short stacking energy: -158.866
Base-Backbone interact. energy: -0.678
local terms energy: -159.569853
where:
bonds (distance) C4'-P energy: -23.846
bonds (distance) P-C4' energy: -28.664
flat angles C4'-P-C4' energy: -37.258
flat angles P-C4'-P energy: -24.006
tors. eta vs tors. theta energy: -45.796
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: 7, replica: 4
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -464.284125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.284125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.284125 (E_RNA)
where:
Base-Base interactions energy: -322.457
where: short stacking energy: -135.811
Base-Backbone interact. energy: -0.897
local terms energy: -140.929897
where:
bonds (distance) C4'-P energy: -15.674
bonds (distance) P-C4' energy: -37.855
flat angles C4'-P-C4' energy: -29.365
flat angles P-C4'-P energy: -22.927
tors. eta vs tors. theta energy: -35.108
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: 1
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -343.382822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.382822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.382822 (E_RNA)
where:
Base-Base interactions energy: -222.644
where: short stacking energy: -104.967
Base-Backbone interact. energy: -0.263
local terms energy: -120.475132
where:
bonds (distance) C4'-P energy: -26.240
bonds (distance) P-C4' energy: -26.721
flat angles C4'-P-C4' energy: -33.557
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -21.025
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: 3
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -389.864105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.864105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.864105 (E_RNA)
where:
Base-Base interactions energy: -262.563
where: short stacking energy: -120.635
Base-Backbone interact. energy: -1.000
local terms energy: -126.301584
where:
bonds (distance) C4'-P energy: -25.509
bonds (distance) P-C4' energy: -26.638
flat angles C4'-P-C4' energy: -25.732
flat angles P-C4'-P energy: -21.063
tors. eta vs tors. theta energy: -27.360
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: 10, replica: 9
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -364.956730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.956730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.956730 (E_RNA)
where:
Base-Base interactions energy: -251.601
where: short stacking energy: -102.076
Base-Backbone interact. energy: 1.435
local terms energy: -114.790483
where:
bonds (distance) C4'-P energy: -24.242
bonds (distance) P-C4' energy: -28.018
flat angles C4'-P-C4' energy: -31.370
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -21.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -578.201014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.201014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.201014 (E_RNA)
where:
Base-Base interactions energy: -401.529
where: short stacking energy: -177.714
Base-Backbone interact. energy: -0.803
local terms energy: -175.868866
where:
bonds (distance) C4'-P energy: -33.199
bonds (distance) P-C4' energy: -36.073
flat angles C4'-P-C4' energy: -34.653
flat angles P-C4'-P energy: -21.856
tors. eta vs tors. theta energy: -50.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -571.179629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.179629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.179629 (E_RNA)
where:
Base-Base interactions energy: -408.351
where: short stacking energy: -173.597
Base-Backbone interact. energy: -0.881
local terms energy: -161.947487
where:
bonds (distance) C4'-P energy: -29.621
bonds (distance) P-C4' energy: -31.145
flat angles C4'-P-C4' energy: -31.749
flat angles P-C4'-P energy: -19.356
tors. eta vs tors. theta energy: -50.076
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: 8
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -579.095436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.095436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.095436 (E_RNA)
where:
Base-Base interactions energy: -402.420
where: short stacking energy: -174.663
Base-Backbone interact. energy: -0.120
local terms energy: -176.555574
where:
bonds (distance) C4'-P energy: -30.914
bonds (distance) P-C4' energy: -33.467
flat angles C4'-P-C4' energy: -33.771
flat angles P-C4'-P energy: -26.708
tors. eta vs tors. theta energy: -51.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -532.625403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.625403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.625403 (E_RNA)
where:
Base-Base interactions energy: -367.547
where: short stacking energy: -168.049
Base-Backbone interact. energy: -0.220
local terms energy: -164.858216
where:
bonds (distance) C4'-P energy: -29.418
bonds (distance) P-C4' energy: -29.804
flat angles C4'-P-C4' energy: -29.669
flat angles P-C4'-P energy: -23.288
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: 5, replica: 10
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -470.302735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.302735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.302735 (E_RNA)
where:
Base-Base interactions energy: -329.384
where: short stacking energy: -146.026
Base-Backbone interact. energy: -0.624
local terms energy: -140.295555
where:
bonds (distance) C4'-P energy: -27.903
bonds (distance) P-C4' energy: -22.983
flat angles C4'-P-C4' energy: -31.928
flat angles P-C4'-P energy: -21.100
tors. eta vs tors. theta energy: -36.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -512.553368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.553368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.553368 (E_RNA)
where:
Base-Base interactions energy: -371.108
where: short stacking energy: -153.736
Base-Backbone interact. energy: -1.223
local terms energy: -140.222355
where:
bonds (distance) C4'-P energy: -18.803
bonds (distance) P-C4' energy: -29.565
flat angles C4'-P-C4' energy: -30.967
flat angles P-C4'-P energy: -15.861
tors. eta vs tors. theta energy: -45.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -455.291724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.291724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.291724 (E_RNA)
where:
Base-Base interactions energy: -318.082
where: short stacking energy: -126.144
Base-Backbone interact. energy: 0.122
local terms energy: -137.331819
where:
bonds (distance) C4'-P energy: -21.169
bonds (distance) P-C4' energy: -31.044
flat angles C4'-P-C4' energy: -30.985
flat angles P-C4'-P energy: -22.884
tors. eta vs tors. theta energy: -31.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -434.523817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.523817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.523817 (E_RNA)
where:
Base-Base interactions energy: -288.459
where: short stacking energy: -126.981
Base-Backbone interact. energy: -0.552
local terms energy: -145.512822
where:
bonds (distance) C4'-P energy: -27.736
bonds (distance) P-C4' energy: -29.743
flat angles C4'-P-C4' energy: -34.962
flat angles P-C4'-P energy: -17.278
tors. eta vs tors. theta energy: -35.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -303.600861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.600861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.600861 (E_RNA)
where:
Base-Base interactions energy: -188.446
where: short stacking energy: -89.923
Base-Backbone interact. energy: -0.549
local terms energy: -114.606627
where:
bonds (distance) C4'-P energy: -29.757
bonds (distance) P-C4' energy: -27.371
flat angles C4'-P-C4' energy: -25.261
flat angles P-C4'-P energy: -16.572
tors. eta vs tors. theta energy: -15.645
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: 10, replica: 9
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -365.382729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.382729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.382729 (E_RNA)
where:
Base-Base interactions energy: -261.601
where: short stacking energy: -113.510
Base-Backbone interact. energy: -0.640
local terms energy: -103.142157
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -22.373
flat angles C4'-P-C4' energy: -22.599
flat angles P-C4'-P energy: -19.212
tors. eta vs tors. theta energy: -21.008
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: 7
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -591.744164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.744164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.744164 (E_RNA)
where:
Base-Base interactions energy: -410.980
where: short stacking energy: -176.184
Base-Backbone interact. energy: -2.056
local terms energy: -178.708409
where:
bonds (distance) C4'-P energy: -31.487
bonds (distance) P-C4' energy: -35.674
flat angles C4'-P-C4' energy: -32.549
flat angles P-C4'-P energy: -28.699
tors. eta vs tors. theta energy: -50.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -553.636869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.636869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.636869 (E_RNA)
where:
Base-Base interactions energy: -396.776
where: short stacking energy: -164.626
Base-Backbone interact. energy: -0.034
local terms energy: -156.827362
where:
bonds (distance) C4'-P energy: -29.682
bonds (distance) P-C4' energy: -28.828
flat angles C4'-P-C4' energy: -33.901
flat angles P-C4'-P energy: -19.900
tors. eta vs tors. theta energy: -44.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -553.244501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.244501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.244501 (E_RNA)
where:
Base-Base interactions energy: -393.289
where: short stacking energy: -168.120
Base-Backbone interact. energy: 0.590
local terms energy: -160.545244
where:
bonds (distance) C4'-P energy: -26.484
bonds (distance) P-C4' energy: -30.067
flat angles C4'-P-C4' energy: -30.788
flat angles P-C4'-P energy: -26.334
tors. eta vs tors. theta energy: -46.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -539.681451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.681451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.681451 (E_RNA)
where:
Base-Base interactions energy: -365.829
where: short stacking energy: -158.423
Base-Backbone interact. energy: -0.420
local terms energy: -173.433090
where:
bonds (distance) C4'-P energy: -30.024
bonds (distance) P-C4' energy: -34.919
flat angles C4'-P-C4' energy: -37.210
flat angles P-C4'-P energy: -20.723
tors. eta vs tors. theta energy: -50.558
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: 5
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -529.058971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.058971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.058971 (E_RNA)
where:
Base-Base interactions energy: -372.693
where: short stacking energy: -163.403
Base-Backbone interact. energy: -0.417
local terms energy: -155.949839
where:
bonds (distance) C4'-P energy: -26.360
bonds (distance) P-C4' energy: -30.947
flat angles C4'-P-C4' energy: -36.585
flat angles P-C4'-P energy: -21.023
tors. eta vs tors. theta energy: -41.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -511.322637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.322637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.322637 (E_RNA)
where:
Base-Base interactions energy: -348.499
where: short stacking energy: -155.297
Base-Backbone interact. energy: -2.331
local terms energy: -160.492729
where:
bonds (distance) C4'-P energy: -35.501
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -34.791
flat angles P-C4'-P energy: -25.537
tors. eta vs tors. theta energy: -43.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -472.633321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.633321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.633321 (E_RNA)
where:
Base-Base interactions energy: -326.057
where: short stacking energy: -151.061
Base-Backbone interact. energy: -1.351
local terms energy: -145.225846
where:
bonds (distance) C4'-P energy: -23.756
bonds (distance) P-C4' energy: -31.159
flat angles C4'-P-C4' energy: -26.711
flat angles P-C4'-P energy: -20.408
tors. eta vs tors. theta energy: -43.193
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: 8, replica: 4
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -450.049658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.049658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.049658 (E_RNA)
where:
Base-Base interactions energy: -313.662
where: short stacking energy: -123.293
Base-Backbone interact. energy: -0.567
local terms energy: -135.820749
where:
bonds (distance) C4'-P energy: -27.694
bonds (distance) P-C4' energy: -25.891
flat angles C4'-P-C4' energy: -31.203
flat angles P-C4'-P energy: -19.187
tors. eta vs tors. theta energy: -31.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -425.108382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.108382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.108382 (E_RNA)
where:
Base-Base interactions energy: -310.114
where: short stacking energy: -128.028
Base-Backbone interact. energy: -0.494
local terms energy: -114.501231
where:
bonds (distance) C4'-P energy: -24.258
bonds (distance) P-C4' energy: -25.152
flat angles C4'-P-C4' energy: -22.844
flat angles P-C4'-P energy: -20.190
tors. eta vs tors. theta energy: -22.057
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: 10, replica: 1
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -291.106473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.106473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.106473 (E_RNA)
where:
Base-Base interactions energy: -187.888
where: short stacking energy: -75.942
Base-Backbone interact. energy: -0.534
local terms energy: -102.683912
where:
bonds (distance) C4'-P energy: -26.185
bonds (distance) P-C4' energy: -26.275
flat angles C4'-P-C4' energy: -26.352
flat angles P-C4'-P energy: -14.837
tors. eta vs tors. theta energy: -9.036
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: 7
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -594.030485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.030485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.030485 (E_RNA)
where:
Base-Base interactions energy: -422.546
where: short stacking energy: -174.742
Base-Backbone interact. energy: -1.158
local terms energy: -170.326159
where:
bonds (distance) C4'-P energy: -23.680
bonds (distance) P-C4' energy: -32.978
flat angles C4'-P-C4' energy: -36.344
flat angles P-C4'-P energy: -27.990
tors. eta vs tors. theta energy: -49.333
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: 2, replica: 2
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -562.363249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.363249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.363249 (E_RNA)
where:
Base-Base interactions energy: -407.028
where: short stacking energy: -183.647
Base-Backbone interact. energy: -0.970
local terms energy: -154.365030
where:
bonds (distance) C4'-P energy: -31.106
bonds (distance) P-C4' energy: -19.295
flat angles C4'-P-C4' energy: -32.695
flat angles P-C4'-P energy: -22.271
tors. eta vs tors. theta energy: -48.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -569.823999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.823999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.823999 (E_RNA)
where:
Base-Base interactions energy: -402.877
where: short stacking energy: -164.751
Base-Backbone interact. energy: 0.199
local terms energy: -167.145898
where:
bonds (distance) C4'-P energy: -30.272
bonds (distance) P-C4' energy: -37.539
flat angles C4'-P-C4' energy: -33.082
flat angles P-C4'-P energy: -20.006
tors. eta vs tors. theta energy: -46.248
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: 233
Temperature: 1.050000
Total energy: -535.423521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.423521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.423521 (E_RNA)
where:
Base-Base interactions energy: -369.247
where: short stacking energy: -165.539
Base-Backbone interact. energy: -1.247
local terms energy: -164.929308
where:
bonds (distance) C4'-P energy: -34.136
bonds (distance) P-C4' energy: -33.388
flat angles C4'-P-C4' energy: -35.731
flat angles P-C4'-P energy: -18.071
tors. eta vs tors. theta energy: -43.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -536.669118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.669118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.669118 (E_RNA)
where:
Base-Base interactions energy: -371.477
where: short stacking energy: -177.398
Base-Backbone interact. energy: -0.095
local terms energy: -165.096419
where:
bonds (distance) C4'-P energy: -23.160
bonds (distance) P-C4' energy: -29.908
flat angles C4'-P-C4' energy: -35.253
flat angles P-C4'-P energy: -22.931
tors. eta vs tors. theta energy: -53.844
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: 10
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -496.266858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.266858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.266858 (E_RNA)
where:
Base-Base interactions energy: -354.121
where: short stacking energy: -151.271
Base-Backbone interact. energy: 0.591
local terms energy: -142.737349
where:
bonds (distance) C4'-P energy: -29.058
bonds (distance) P-C4' energy: -23.784
flat angles C4'-P-C4' energy: -31.183
flat angles P-C4'-P energy: -21.223
tors. eta vs tors. theta energy: -37.488
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: 3
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -464.521545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.521545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.521545 (E_RNA)
where:
Base-Base interactions energy: -312.976
where: short stacking energy: -140.651
Base-Backbone interact. energy: -0.862
local terms energy: -150.683906
where:
bonds (distance) C4'-P energy: -27.733
bonds (distance) P-C4' energy: -30.794
flat angles C4'-P-C4' energy: -34.823
flat angles P-C4'-P energy: -25.113
tors. eta vs tors. theta energy: -32.221
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: 8, replica: 4
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -455.648041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.648041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.648041 (E_RNA)
where:
Base-Base interactions energy: -308.819
where: short stacking energy: -134.903
Base-Backbone interact. energy: 2.359
local terms energy: -149.188503
where:
bonds (distance) C4'-P energy: -32.047
bonds (distance) P-C4' energy: -31.959
flat angles C4'-P-C4' energy: -37.000
flat angles P-C4'-P energy: -20.339
tors. eta vs tors. theta energy: -27.843
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: 233
Temperature: 1.300000
Total energy: -396.393487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.393487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.393487 (E_RNA)
where:
Base-Base interactions energy: -273.618
where: short stacking energy: -109.754
Base-Backbone interact. energy: -1.729
local terms energy: -121.046823
where:
bonds (distance) C4'-P energy: -23.775
bonds (distance) P-C4' energy: -27.563
flat angles C4'-P-C4' energy: -24.753
flat angles P-C4'-P energy: -14.574
tors. eta vs tors. theta energy: -30.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -284.781666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.781666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.781666 (E_RNA)
where:
Base-Base interactions energy: -168.920
where: short stacking energy: -89.884
Base-Backbone interact. energy: 1.239
local terms energy: -117.101121
where:
bonds (distance) C4'-P energy: -20.470
bonds (distance) P-C4' energy: -32.838
flat angles C4'-P-C4' energy: -22.798
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -22.519
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: 234
Temperature: 0.900000
Total energy: -579.217496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.217496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.217496 (E_RNA)
where:
Base-Base interactions energy: -412.472
where: short stacking energy: -171.476
Base-Backbone interact. energy: -1.608
local terms energy: -165.137313
where:
bonds (distance) C4'-P energy: -25.765
bonds (distance) P-C4' energy: -30.137
flat angles C4'-P-C4' energy: -36.773
flat angles P-C4'-P energy: -23.384
tors. eta vs tors. theta energy: -49.079
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: 2
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -567.114407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.114407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.114407 (E_RNA)
where:
Base-Base interactions energy: -398.775
where: short stacking energy: -170.390
Base-Backbone interact. energy: -0.220
local terms energy: -168.119800
where:
bonds (distance) C4'-P energy: -35.955
bonds (distance) P-C4' energy: -30.401
flat angles C4'-P-C4' energy: -32.024
flat angles P-C4'-P energy: -21.530
tors. eta vs tors. theta energy: -48.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -560.627146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.627146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.627146 (E_RNA)
where:
Base-Base interactions energy: -390.550
where: short stacking energy: -161.870
Base-Backbone interact. energy: -0.009
local terms energy: -170.068189
where:
bonds (distance) C4'-P energy: -30.968
bonds (distance) P-C4' energy: -32.111
flat angles C4'-P-C4' energy: -36.524
flat angles P-C4'-P energy: -20.861
tors. eta vs tors. theta energy: -49.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -563.246028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.246028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.246028 (E_RNA)
where:
Base-Base interactions energy: -388.693
where: short stacking energy: -176.703
Base-Backbone interact. energy: -0.323
local terms energy: -174.229858
where:
bonds (distance) C4'-P energy: -34.166
bonds (distance) P-C4' energy: -32.839
flat angles C4'-P-C4' energy: -37.402
flat angles P-C4'-P energy: -21.932
tors. eta vs tors. theta energy: -47.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -523.167311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.167311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.167311 (E_RNA)
where:
Base-Base interactions energy: -354.098
where: short stacking energy: -164.576
Base-Backbone interact. energy: -0.782
local terms energy: -168.286554
where:
bonds (distance) C4'-P energy: -30.636
bonds (distance) P-C4' energy: -31.035
flat angles C4'-P-C4' energy: -34.214
flat angles P-C4'-P energy: -23.741
tors. eta vs tors. theta energy: -48.660
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: 10
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -496.676287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.676287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.676287 (E_RNA)
where:
Base-Base interactions energy: -348.010
where: short stacking energy: -157.104
Base-Backbone interact. energy: -1.656
local terms energy: -147.010221
where:
bonds (distance) C4'-P energy: -25.189
bonds (distance) P-C4' energy: -30.416
flat angles C4'-P-C4' energy: -28.291
flat angles P-C4'-P energy: -25.225
tors. eta vs tors. theta energy: -37.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -460.870954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.870954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.870954 (E_RNA)
where:
Base-Base interactions energy: -326.677
where: short stacking energy: -147.938
Base-Backbone interact. energy: -0.159
local terms energy: -134.034979
where:
bonds (distance) C4'-P energy: -34.028
bonds (distance) P-C4' energy: -27.467
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -44.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -442.878800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.878800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.878800 (E_RNA)
where:
Base-Base interactions energy: -301.205
where: short stacking energy: -140.437
Base-Backbone interact. energy: -1.067
local terms energy: -140.606870
where:
bonds (distance) C4'-P energy: -20.982
bonds (distance) P-C4' energy: -32.565
flat angles C4'-P-C4' energy: -29.626
flat angles P-C4'-P energy: -17.702
tors. eta vs tors. theta energy: -39.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -377.033231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.033231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.033231 (E_RNA)
where:
Base-Base interactions energy: -271.866
where: short stacking energy: -123.458
Base-Backbone interact. energy: 0.232
local terms energy: -105.399948
where:
bonds (distance) C4'-P energy: -27.255
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -22.257
flat angles P-C4'-P energy: -13.192
tors. eta vs tors. theta energy: -24.342
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: 10, replica: 1
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -317.344745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.344745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.344745 (E_RNA)
where:
Base-Base interactions energy: -195.722
where: short stacking energy: -93.145
Base-Backbone interact. energy: -0.591
local terms energy: -121.032300
where:
bonds (distance) C4'-P energy: -21.583
bonds (distance) P-C4' energy: -30.299
flat angles C4'-P-C4' energy: -30.085
flat angles P-C4'-P energy: -16.031
tors. eta vs tors. theta energy: -23.034
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: 235
Temperature: 0.900000
Total energy: -586.445685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.445685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.445685 (E_RNA)
where:
Base-Base interactions energy: -411.492
where: short stacking energy: -166.331
Base-Backbone interact. energy: -1.862
local terms energy: -173.091959
where:
bonds (distance) C4'-P energy: -33.465
bonds (distance) P-C4' energy: -35.280
flat angles C4'-P-C4' energy: -37.225
flat angles P-C4'-P energy: -23.046
tors. eta vs tors. theta energy: -44.077
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: 235
Temperature: 0.950000
Total energy: -578.452613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.452613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.452613 (E_RNA)
where:
Base-Base interactions energy: -406.598
where: short stacking energy: -176.075
Base-Backbone interact. energy: 0.259
local terms energy: -172.113714
where:
bonds (distance) C4'-P energy: -30.734
bonds (distance) P-C4' energy: -34.672
flat angles C4'-P-C4' energy: -36.787
flat angles P-C4'-P energy: -24.292
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: 3, replica: 5
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -557.529012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.529012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.529012 (E_RNA)
where:
Base-Base interactions energy: -392.757
where: short stacking energy: -163.143
Base-Backbone interact. energy: -0.431
local terms energy: -164.340354
where:
bonds (distance) C4'-P energy: -32.779
bonds (distance) P-C4' energy: -27.419
flat angles C4'-P-C4' energy: -35.966
flat angles P-C4'-P energy: -22.771
tors. eta vs tors. theta energy: -45.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -541.106711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.106711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.106711 (E_RNA)
where:
Base-Base interactions energy: -370.650
where: short stacking energy: -168.189
Base-Backbone interact. energy: -0.255
local terms energy: -170.201929
where:
bonds (distance) C4'-P energy: -30.187
bonds (distance) P-C4' energy: -27.403
flat angles C4'-P-C4' energy: -37.953
flat angles P-C4'-P energy: -28.178
tors. eta vs tors. theta energy: -46.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -541.964860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.964860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.964860 (E_RNA)
where:
Base-Base interactions energy: -385.311
where: short stacking energy: -162.696
Base-Backbone interact. energy: -1.191
local terms energy: -155.462699
where:
bonds (distance) C4'-P energy: -30.016
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -31.341
flat angles P-C4'-P energy: -28.118
tors. eta vs tors. theta energy: -45.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -476.878228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.878228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.878228 (E_RNA)
where:
Base-Base interactions energy: -321.096
where: short stacking energy: -144.916
Base-Backbone interact. energy: -1.674
local terms energy: -154.107424
where:
bonds (distance) C4'-P energy: -31.310
bonds (distance) P-C4' energy: -30.206
flat angles C4'-P-C4' energy: -28.723
flat angles P-C4'-P energy: -23.114
tors. eta vs tors. theta energy: -40.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -482.919041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.919041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.919041 (E_RNA)
where:
Base-Base interactions energy: -333.699
where: short stacking energy: -150.500
Base-Backbone interact. energy: -0.148
local terms energy: -149.071886
where:
bonds (distance) C4'-P energy: -24.574
bonds (distance) P-C4' energy: -33.333
flat angles C4'-P-C4' energy: -33.744
flat angles P-C4'-P energy: -19.304
tors. eta vs tors. theta energy: -38.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -452.514257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.514257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.514257 (E_RNA)
where:
Base-Base interactions energy: -311.118
where: short stacking energy: -151.469
Base-Backbone interact. energy: -0.087
local terms energy: -141.309115
where:
bonds (distance) C4'-P energy: -28.650
bonds (distance) P-C4' energy: -28.003
flat angles C4'-P-C4' energy: -30.759
flat angles P-C4'-P energy: -18.149
tors. eta vs tors. theta energy: -35.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -429.738166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.738166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.738166 (E_RNA)
where:
Base-Base interactions energy: -307.509
where: short stacking energy: -109.207
Base-Backbone interact. energy: -0.725
local terms energy: -121.504144
where:
bonds (distance) C4'-P energy: -33.232
bonds (distance) P-C4' energy: -29.075
flat angles C4'-P-C4' energy: -22.552
flat angles P-C4'-P energy: -14.713
tors. eta vs tors. theta energy: -21.931
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: 1
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -285.960521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.960521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.960521 (E_RNA)
where:
Base-Base interactions energy: -178.286
where: short stacking energy: -95.440
Base-Backbone interact. energy: -0.108
local terms energy: -107.565657
where:
bonds (distance) C4'-P energy: -27.840
bonds (distance) P-C4' energy: -31.246
flat angles C4'-P-C4' energy: -25.290
flat angles P-C4'-P energy: -6.518
tors. eta vs tors. theta energy: -16.672
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: 2
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -569.653498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.653498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.653498 (E_RNA)
where:
Base-Base interactions energy: -397.898
where: short stacking energy: -171.912
Base-Backbone interact. energy: -0.097
local terms energy: -171.659130
where:
bonds (distance) C4'-P energy: -34.604
bonds (distance) P-C4' energy: -34.645
flat angles C4'-P-C4' energy: -36.851
flat angles P-C4'-P energy: -26.352
tors. eta vs tors. theta energy: -39.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -580.168255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.168255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.168255 (E_RNA)
where:
Base-Base interactions energy: -403.975
where: short stacking energy: -173.976
Base-Backbone interact. energy: -1.968
local terms energy: -174.225966
where:
bonds (distance) C4'-P energy: -32.777
bonds (distance) P-C4' energy: -33.705
flat angles C4'-P-C4' energy: -35.613
flat angles P-C4'-P energy: -20.988
tors. eta vs tors. theta energy: -51.142
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: 5
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -542.126378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.126378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.126378 (E_RNA)
where:
Base-Base interactions energy: -385.993
where: short stacking energy: -169.019
Base-Backbone interact. energy: 0.216
local terms energy: -156.348884
where:
bonds (distance) C4'-P energy: -28.454
bonds (distance) P-C4' energy: -23.656
flat angles C4'-P-C4' energy: -35.668
flat angles P-C4'-P energy: -20.692
tors. eta vs tors. theta energy: -47.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -533.443272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.443272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.443272 (E_RNA)
where:
Base-Base interactions energy: -371.752
where: short stacking energy: -171.081
Base-Backbone interact. energy: 0.039
local terms energy: -161.729850
where:
bonds (distance) C4'-P energy: -28.848
bonds (distance) P-C4' energy: -30.121
flat angles C4'-P-C4' energy: -32.276
flat angles P-C4'-P energy: -24.818
tors. eta vs tors. theta energy: -45.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -547.001213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.001213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.001213 (E_RNA)
where:
Base-Base interactions energy: -388.948
where: short stacking energy: -173.836
Base-Backbone interact. energy: -0.489
local terms energy: -157.564339
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -31.441
flat angles C4'-P-C4' energy: -33.588
flat angles P-C4'-P energy: -28.789
tors. eta vs tors. theta energy: -48.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -473.603326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.603326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.603326 (E_RNA)
where:
Base-Base interactions energy: -325.033
where: short stacking energy: -143.381
Base-Backbone interact. energy: -0.432
local terms energy: -148.139037
where:
bonds (distance) C4'-P energy: -30.028
bonds (distance) P-C4' energy: -24.937
flat angles C4'-P-C4' energy: -28.974
flat angles P-C4'-P energy: -27.243
tors. eta vs tors. theta energy: -36.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -479.210268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.210268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.210268 (E_RNA)
where:
Base-Base interactions energy: -323.614
where: short stacking energy: -146.610
Base-Backbone interact. energy: -0.539
local terms energy: -155.056894
where:
bonds (distance) C4'-P energy: -35.065
bonds (distance) P-C4' energy: -37.250
flat angles C4'-P-C4' energy: -31.019
flat angles P-C4'-P energy: -16.476
tors. eta vs tors. theta energy: -35.247
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: 3
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -458.357813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.357813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.357813 (E_RNA)
where:
Base-Base interactions energy: -324.016
where: short stacking energy: -118.404
Base-Backbone interact. energy: -1.116
local terms energy: -133.225818
where:
bonds (distance) C4'-P energy: -29.684
bonds (distance) P-C4' energy: -27.185
flat angles C4'-P-C4' energy: -29.775
flat angles P-C4'-P energy: -17.217
tors. eta vs tors. theta energy: -29.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -388.575088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.575088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.575088 (E_RNA)
where:
Base-Base interactions energy: -258.597
where: short stacking energy: -104.848
Base-Backbone interact. energy: -0.404
local terms energy: -129.574312
where:
bonds (distance) C4'-P energy: -27.237
bonds (distance) P-C4' energy: -28.916
flat angles C4'-P-C4' energy: -30.324
flat angles P-C4'-P energy: -18.897
tors. eta vs tors. theta energy: -24.201
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: 1
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -340.849827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.849827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.849827 (E_RNA)
where:
Base-Base interactions energy: -221.288
where: short stacking energy: -82.869
Base-Backbone interact. energy: 0.630
local terms energy: -120.192461
where:
bonds (distance) C4'-P energy: -28.328
bonds (distance) P-C4' energy: -36.852
flat angles C4'-P-C4' energy: -22.058
flat angles P-C4'-P energy: -18.386
tors. eta vs tors. theta energy: -14.569
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: 2
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -574.681983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.681983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.681983 (E_RNA)
where:
Base-Base interactions energy: -412.582
where: short stacking energy: -168.885
Base-Backbone interact. energy: -0.182
local terms energy: -161.918612
where:
bonds (distance) C4'-P energy: -27.788
bonds (distance) P-C4' energy: -30.463
flat angles C4'-P-C4' energy: -35.360
flat angles P-C4'-P energy: -27.271
tors. eta vs tors. theta energy: -41.037
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: 7
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -578.186336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.186336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.186336 (E_RNA)
where:
Base-Base interactions energy: -415.080
where: short stacking energy: -171.792
Base-Backbone interact. energy: -0.443
local terms energy: -162.663679
where:
bonds (distance) C4'-P energy: -33.322
bonds (distance) P-C4' energy: -27.901
flat angles C4'-P-C4' energy: -35.347
flat angles P-C4'-P energy: -19.756
tors. eta vs tors. theta energy: -46.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -542.374617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.374617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.374617 (E_RNA)
where:
Base-Base interactions energy: -364.636
where: short stacking energy: -174.075
Base-Backbone interact. energy: -0.129
local terms energy: -177.610178
where:
bonds (distance) C4'-P energy: -31.828
bonds (distance) P-C4' energy: -31.689
flat angles C4'-P-C4' energy: -39.691
flat angles P-C4'-P energy: -27.462
tors. eta vs tors. theta energy: -46.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -558.131942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.131942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.131942 (E_RNA)
where:
Base-Base interactions energy: -392.248
where: short stacking energy: -175.243
Base-Backbone interact. energy: -0.436
local terms energy: -165.447115
where:
bonds (distance) C4'-P energy: -32.678
bonds (distance) P-C4' energy: -27.567
flat angles C4'-P-C4' energy: -35.773
flat angles P-C4'-P energy: -22.140
tors. eta vs tors. theta energy: -47.290
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: 6
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -522.308229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.308229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.308229 (E_RNA)
where:
Base-Base interactions energy: -369.559
where: short stacking energy: -164.590
Base-Backbone interact. energy: 1.669
local terms energy: -154.419050
where:
bonds (distance) C4'-P energy: -29.220
bonds (distance) P-C4' energy: -24.503
flat angles C4'-P-C4' energy: -35.241
flat angles P-C4'-P energy: -19.508
tors. eta vs tors. theta energy: -45.946
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: 4
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -459.649391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.649391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.649391 (E_RNA)
where:
Base-Base interactions energy: -316.273
where: short stacking energy: -136.577
Base-Backbone interact. energy: -1.903
local terms energy: -141.472841
where:
bonds (distance) C4'-P energy: -29.817
bonds (distance) P-C4' energy: -31.890
flat angles C4'-P-C4' energy: -31.642
flat angles P-C4'-P energy: -18.412
tors. eta vs tors. theta energy: -29.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -459.174649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.174649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.174649 (E_RNA)
where:
Base-Base interactions energy: -319.340
where: short stacking energy: -130.559
Base-Backbone interact. energy: -2.116
local terms energy: -137.718850
where:
bonds (distance) C4'-P energy: -25.929
bonds (distance) P-C4' energy: -31.227
flat angles C4'-P-C4' energy: -24.616
flat angles P-C4'-P energy: -20.942
tors. eta vs tors. theta energy: -35.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -449.529656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.529656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.529656 (E_RNA)
where:
Base-Base interactions energy: -325.379
where: short stacking energy: -138.021
Base-Backbone interact. energy: -0.301
local terms energy: -123.849777
where:
bonds (distance) C4'-P energy: -26.831
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -21.945
flat angles P-C4'-P energy: -19.570
tors. eta vs tors. theta energy: -37.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -375.363124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.363124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.363124 (E_RNA)
where:
Base-Base interactions energy: -252.414
where: short stacking energy: -109.575
Base-Backbone interact. energy: -0.867
local terms energy: -122.081705
where:
bonds (distance) C4'-P energy: -25.807
bonds (distance) P-C4' energy: -32.332
flat angles C4'-P-C4' energy: -29.926
flat angles P-C4'-P energy: -20.280
tors. eta vs tors. theta energy: -13.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -281.023879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.023879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.023879 (E_RNA)
where:
Base-Base interactions energy: -165.560
where: short stacking energy: -81.816
Base-Backbone interact. energy: -0.656
local terms energy: -114.807565
where:
bonds (distance) C4'-P energy: -24.025
bonds (distance) P-C4' energy: -30.541
flat angles C4'-P-C4' energy: -24.672
flat angles P-C4'-P energy: -20.628
tors. eta vs tors. theta energy: -14.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -593.314499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.314499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.314499 (E_RNA)
where:
Base-Base interactions energy: -416.130
where: short stacking energy: -167.857
Base-Backbone interact. energy: -0.982
local terms energy: -176.202156
where:
bonds (distance) C4'-P energy: -34.038
bonds (distance) P-C4' energy: -35.436
flat angles C4'-P-C4' energy: -33.700
flat angles P-C4'-P energy: -21.335
tors. eta vs tors. theta energy: -51.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -565.776565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.776565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.776565 (E_RNA)
where:
Base-Base interactions energy: -394.890
where: short stacking energy: -171.230
Base-Backbone interact. energy: -0.409
local terms energy: -170.478062
where:
bonds (distance) C4'-P energy: -26.893
bonds (distance) P-C4' energy: -34.943
flat angles C4'-P-C4' energy: -34.469
flat angles P-C4'-P energy: -27.395
tors. eta vs tors. theta energy: -46.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -540.442853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.442853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.442853 (E_RNA)
where:
Base-Base interactions energy: -385.953
where: short stacking energy: -170.761
Base-Backbone interact. energy: -0.212
local terms energy: -154.277927
where:
bonds (distance) C4'-P energy: -28.674
bonds (distance) P-C4' energy: -27.218
flat angles C4'-P-C4' energy: -36.368
flat angles P-C4'-P energy: -17.254
tors. eta vs tors. theta energy: -44.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -560.536427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.536427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.536427 (E_RNA)
where:
Base-Base interactions energy: -404.835
where: short stacking energy: -174.306
Base-Backbone interact. energy: -0.274
local terms energy: -155.428015
where:
bonds (distance) C4'-P energy: -31.198
bonds (distance) P-C4' energy: -25.944
flat angles C4'-P-C4' energy: -30.615
flat angles P-C4'-P energy: -20.224
tors. eta vs tors. theta energy: -47.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -516.604287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.604287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.604287 (E_RNA)
where:
Base-Base interactions energy: -364.937
where: short stacking energy: -166.834
Base-Backbone interact. energy: -0.025
local terms energy: -151.642666
where:
bonds (distance) C4'-P energy: -25.313
bonds (distance) P-C4' energy: -20.999
flat angles C4'-P-C4' energy: -32.787
flat angles P-C4'-P energy: -22.881
tors. eta vs tors. theta energy: -49.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -454.116091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.116091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.116091 (E_RNA)
where:
Base-Base interactions energy: -306.014
where: short stacking energy: -142.815
Base-Backbone interact. energy: -0.128
local terms energy: -147.973961
where:
bonds (distance) C4'-P energy: -28.938
bonds (distance) P-C4' energy: -28.949
flat angles C4'-P-C4' energy: -26.295
flat angles P-C4'-P energy: -22.266
tors. eta vs tors. theta energy: -41.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -483.684472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.684472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.684472 (E_RNA)
where:
Base-Base interactions energy: -334.811
where: short stacking energy: -148.208
Base-Backbone interact. energy: -0.538
local terms energy: -148.334846
where:
bonds (distance) C4'-P energy: -25.457
bonds (distance) P-C4' energy: -30.506
flat angles C4'-P-C4' energy: -30.948
flat angles P-C4'-P energy: -19.763
tors. eta vs tors. theta energy: -41.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -470.968933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.968933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.968933 (E_RNA)
where:
Base-Base interactions energy: -344.837
where: short stacking energy: -135.429
Base-Backbone interact. energy: -0.088
local terms energy: -126.043255
where:
bonds (distance) C4'-P energy: -30.487
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -29.384
flat angles P-C4'-P energy: -20.637
tors. eta vs tors. theta energy: -29.555
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: 9, replica: 9
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -362.417091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.417091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.417091 (E_RNA)
where:
Base-Base interactions energy: -254.235
where: short stacking energy: -107.463
Base-Backbone interact. energy: -0.570
local terms energy: -107.611989
where:
bonds (distance) C4'-P energy: -21.785
bonds (distance) P-C4' energy: -20.955
flat angles C4'-P-C4' energy: -29.351
flat angles P-C4'-P energy: -16.938
tors. eta vs tors. theta energy: -18.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -306.070739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.070739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.070739 (E_RNA)
where:
Base-Base interactions energy: -183.665
where: short stacking energy: -100.791
Base-Backbone interact. energy: 1.342
local terms energy: -123.747455
where:
bonds (distance) C4'-P energy: -25.222
bonds (distance) P-C4' energy: -28.608
flat angles C4'-P-C4' energy: -24.215
flat angles P-C4'-P energy: -17.897
tors. eta vs tors. theta energy: -27.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -590.235364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.235364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.235364 (E_RNA)
where:
Base-Base interactions energy: -420.373
where: short stacking energy: -173.407
Base-Backbone interact. energy: -1.068
local terms energy: -168.794694
where:
bonds (distance) C4'-P energy: -33.030
bonds (distance) P-C4' energy: -30.279
flat angles C4'-P-C4' energy: -31.951
flat angles P-C4'-P energy: -21.535
tors. eta vs tors. theta energy: -52.000
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: 5
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -555.384114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.384114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.384114 (E_RNA)
where:
Base-Base interactions energy: -379.707
where: short stacking energy: -169.143
Base-Backbone interact. energy: 0.161
local terms energy: -175.838299
where:
bonds (distance) C4'-P energy: -32.168
bonds (distance) P-C4' energy: -27.855
flat angles C4'-P-C4' energy: -38.293
flat angles P-C4'-P energy: -26.649
tors. eta vs tors. theta energy: -50.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -562.044381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.044381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.044381 (E_RNA)
where:
Base-Base interactions energy: -403.391
where: short stacking energy: -175.566
Base-Backbone interact. energy: -0.130
local terms energy: -158.523549
where:
bonds (distance) C4'-P energy: -29.515
bonds (distance) P-C4' energy: -32.683
flat angles C4'-P-C4' energy: -35.032
flat angles P-C4'-P energy: -19.794
tors. eta vs tors. theta energy: -41.500
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: 6
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -540.687728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.687728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.687728 (E_RNA)
where:
Base-Base interactions energy: -371.105
where: short stacking energy: -173.532
Base-Backbone interact. energy: -0.058
local terms energy: -169.525323
where:
bonds (distance) C4'-P energy: -28.873
bonds (distance) P-C4' energy: -31.874
flat angles C4'-P-C4' energy: -34.564
flat angles P-C4'-P energy: -25.298
tors. eta vs tors. theta energy: -48.916
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: 8
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -538.403426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.403426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.403426 (E_RNA)
where:
Base-Base interactions energy: -376.689
where: short stacking energy: -157.724
Base-Backbone interact. energy: -1.198
local terms energy: -160.516628
where:
bonds (distance) C4'-P energy: -22.882
bonds (distance) P-C4' energy: -35.250
flat angles C4'-P-C4' energy: -28.413
flat angles P-C4'-P energy: -25.106
tors. eta vs tors. theta energy: -48.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -487.179252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.179252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.179252 (E_RNA)
where:
Base-Base interactions energy: -345.931
where: short stacking energy: -138.634
Base-Backbone interact. energy: 0.825
local terms energy: -142.073752
where:
bonds (distance) C4'-P energy: -29.363
bonds (distance) P-C4' energy: -29.943
flat angles C4'-P-C4' energy: -30.870
flat angles P-C4'-P energy: -19.281
tors. eta vs tors. theta energy: -32.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -459.473054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.473054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.473054 (E_RNA)
where:
Base-Base interactions energy: -315.387
where: short stacking energy: -146.788
Base-Backbone interact. energy: -1.482
local terms energy: -142.604120
where:
bonds (distance) C4'-P energy: -27.758
bonds (distance) P-C4' energy: -27.935
flat angles C4'-P-C4' energy: -30.043
flat angles P-C4'-P energy: -23.975
tors. eta vs tors. theta energy: -32.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -468.357267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.357267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.357267 (E_RNA)
where:
Base-Base interactions energy: -339.323
where: short stacking energy: -151.002
Base-Backbone interact. energy: 1.177
local terms energy: -130.210952
where:
bonds (distance) C4'-P energy: -18.743
bonds (distance) P-C4' energy: -26.524
flat angles C4'-P-C4' energy: -30.252
flat angles P-C4'-P energy: -18.991
tors. eta vs tors. theta energy: -35.701
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: 239
Temperature: 1.300000
Total energy: -353.125473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.125473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.125473 (E_RNA)
where:
Base-Base interactions energy: -244.608
where: short stacking energy: -101.951
Base-Backbone interact. energy: -1.558
local terms energy: -106.959054
where:
bonds (distance) C4'-P energy: -22.606
bonds (distance) P-C4' energy: -20.517
flat angles C4'-P-C4' energy: -24.030
flat angles P-C4'-P energy: -18.880
tors. eta vs tors. theta energy: -20.926
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: 1
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -293.565882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.565882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.565882 (E_RNA)
where:
Base-Base interactions energy: -181.103
where: short stacking energy: -86.263
Base-Backbone interact. energy: -0.548
local terms energy: -111.915078
where:
bonds (distance) C4'-P energy: -27.805
bonds (distance) P-C4' energy: -27.908
flat angles C4'-P-C4' energy: -31.100
flat angles P-C4'-P energy: -11.367
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: 5
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -571.195832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.195832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.195832 (E_RNA)
where:
Base-Base interactions energy: -401.445
where: short stacking energy: -181.107
Base-Backbone interact. energy: -1.426
local terms energy: -168.324934
where:
bonds (distance) C4'-P energy: -27.519
bonds (distance) P-C4' energy: -29.918
flat angles C4'-P-C4' energy: -37.257
flat angles P-C4'-P energy: -23.975
tors. eta vs tors. theta energy: -49.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -572.658417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.658417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.658417 (E_RNA)
where:
Base-Base interactions energy: -394.511
where: short stacking energy: -164.914
Base-Backbone interact. energy: -0.329
local terms energy: -177.818632
where:
bonds (distance) C4'-P energy: -34.648
bonds (distance) P-C4' energy: -32.003
flat angles C4'-P-C4' energy: -36.212
flat angles P-C4'-P energy: -23.285
tors. eta vs tors. theta energy: -51.669
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: 2
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -552.132019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.132019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.132019 (E_RNA)
where:
Base-Base interactions energy: -389.068
where: short stacking energy: -162.394
Base-Backbone interact. energy: -0.159
local terms energy: -162.905186
where:
bonds (distance) C4'-P energy: -27.258
bonds (distance) P-C4' energy: -29.184
flat angles C4'-P-C4' energy: -29.131
flat angles P-C4'-P energy: -27.953
tors. eta vs tors. theta energy: -49.379
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: 6
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -539.021749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.021749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.021749 (E_RNA)
where:
Base-Base interactions energy: -365.503
where: short stacking energy: -162.309
Base-Backbone interact. energy: -0.029
local terms energy: -173.489629
where:
bonds (distance) C4'-P energy: -32.254
bonds (distance) P-C4' energy: -35.743
flat angles C4'-P-C4' energy: -36.621
flat angles P-C4'-P energy: -20.763
tors. eta vs tors. theta energy: -48.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -543.721187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.721187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.721187 (E_RNA)
where:
Base-Base interactions energy: -387.074
where: short stacking energy: -171.896
Base-Backbone interact. energy: -0.837
local terms energy: -155.809679
where:
bonds (distance) C4'-P energy: -29.406
bonds (distance) P-C4' energy: -24.527
flat angles C4'-P-C4' energy: -33.692
flat angles P-C4'-P energy: -18.727
tors. eta vs tors. theta energy: -49.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -504.457805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.457805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.457805 (E_RNA)
where:
Base-Base interactions energy: -363.831
where: short stacking energy: -148.520
Base-Backbone interact. energy: -0.251
local terms energy: -140.375158
where:
bonds (distance) C4'-P energy: -29.010
bonds (distance) P-C4' energy: -23.163
flat angles C4'-P-C4' energy: -33.309
flat angles P-C4'-P energy: -21.664
tors. eta vs tors. theta energy: -33.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -445.330848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.330848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.330848 (E_RNA)
where:
Base-Base interactions energy: -311.397
where: short stacking energy: -124.874
Base-Backbone interact. energy: -0.736
local terms energy: -133.197295
where:
bonds (distance) C4'-P energy: -24.397
bonds (distance) P-C4' energy: -29.099
flat angles C4'-P-C4' energy: -27.182
flat angles P-C4'-P energy: -24.370
tors. eta vs tors. theta energy: -28.150
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: 8, replica: 4
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -435.612529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.612529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.612529 (E_RNA)
where:
Base-Base interactions energy: -305.466
where: short stacking energy: -128.110
Base-Backbone interact. energy: -0.287
local terms energy: -129.858914
where:
bonds (distance) C4'-P energy: -27.808
bonds (distance) P-C4' energy: -25.393
flat angles C4'-P-C4' energy: -20.166
flat angles P-C4'-P energy: -24.009
tors. eta vs tors. theta energy: -32.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -379.704100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.704100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.704100 (E_RNA)
where:
Base-Base interactions energy: -262.500
where: short stacking energy: -106.517
Base-Backbone interact. energy: 0.184
local terms energy: -117.388871
where:
bonds (distance) C4'-P energy: -27.755
bonds (distance) P-C4' energy: -22.987
flat angles C4'-P-C4' energy: -29.598
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -26.385
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: 1
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -335.413007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.413007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.413007 (E_RNA)
where:
Base-Base interactions energy: -223.992
where: short stacking energy: -95.140
Base-Backbone interact. energy: -0.967
local terms energy: -110.453996
where:
bonds (distance) C4'-P energy: -31.896
bonds (distance) P-C4' energy: -30.135
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -17.883
tors. eta vs tors. theta energy: -13.540
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: 5
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -572.548593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.548593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.548593 (E_RNA)
where:
Base-Base interactions energy: -402.232
where: short stacking energy: -176.240
Base-Backbone interact. energy: -0.639
local terms energy: -169.677511
where:
bonds (distance) C4'-P energy: -29.241
bonds (distance) P-C4' energy: -32.491
flat angles C4'-P-C4' energy: -36.457
flat angles P-C4'-P energy: -21.109
tors. eta vs tors. theta energy: -50.379
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: 2, replica: 2
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -566.643762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.643762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.643762 (E_RNA)
where:
Base-Base interactions energy: -401.156
where: short stacking energy: -170.891
Base-Backbone interact. energy: -0.797
local terms energy: -164.690762
where:
bonds (distance) C4'-P energy: -31.837
bonds (distance) P-C4' energy: -26.155
flat angles C4'-P-C4' energy: -35.137
flat angles P-C4'-P energy: -23.615
tors. eta vs tors. theta energy: -47.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -545.556798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.556798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.556798 (E_RNA)
where:
Base-Base interactions energy: -382.819
where: short stacking energy: -155.760
Base-Backbone interact. energy: -0.252
local terms energy: -162.485931
where:
bonds (distance) C4'-P energy: -29.701
bonds (distance) P-C4' energy: -31.530
flat angles C4'-P-C4' energy: -31.942
flat angles P-C4'-P energy: -21.353
tors. eta vs tors. theta energy: -47.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -557.616727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.616727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.616727 (E_RNA)
where:
Base-Base interactions energy: -406.686
where: short stacking energy: -163.119
Base-Backbone interact. energy: -0.201
local terms energy: -150.729666
where:
bonds (distance) C4'-P energy: -21.815
bonds (distance) P-C4' energy: -28.571
flat angles C4'-P-C4' energy: -31.364
flat angles P-C4'-P energy: -22.896
tors. eta vs tors. theta energy: -46.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -529.961023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.961023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.961023 (E_RNA)
where:
Base-Base interactions energy: -363.614
where: short stacking energy: -170.857
Base-Backbone interact. energy: -0.581
local terms energy: -165.766162
where:
bonds (distance) C4'-P energy: -28.856
bonds (distance) P-C4' energy: -31.433
flat angles C4'-P-C4' energy: -33.599
flat angles P-C4'-P energy: -21.869
tors. eta vs tors. theta energy: -50.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -485.478983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.478983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.478983 (E_RNA)
where:
Base-Base interactions energy: -335.567
where: short stacking energy: -149.123
Base-Backbone interact. energy: -0.461
local terms energy: -149.451270
where:
bonds (distance) C4'-P energy: -28.490
bonds (distance) P-C4' energy: -27.079
flat angles C4'-P-C4' energy: -34.489
flat angles P-C4'-P energy: -22.227
tors. eta vs tors. theta energy: -37.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -473.462379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.462379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.462379 (E_RNA)
where:
Base-Base interactions energy: -336.686
where: short stacking energy: -146.379
Base-Backbone interact. energy: -1.006
local terms energy: -135.769875
where:
bonds (distance) C4'-P energy: -23.391
bonds (distance) P-C4' energy: -31.007
flat angles C4'-P-C4' energy: -31.672
flat angles P-C4'-P energy: -16.938
tors. eta vs tors. theta energy: -32.762
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: 9
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -453.429233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.429233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.429233 (E_RNA)
where:
Base-Base interactions energy: -314.107
where: short stacking energy: -114.047
Base-Backbone interact. energy: -1.341
local terms energy: -137.980705
where:
bonds (distance) C4'-P energy: -31.617
bonds (distance) P-C4' energy: -33.432
flat angles C4'-P-C4' energy: -22.987
flat angles P-C4'-P energy: -22.018
tors. eta vs tors. theta energy: -27.926
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: 4
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -416.817621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.817621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.817621 (E_RNA)
where:
Base-Base interactions energy: -281.246
where: short stacking energy: -124.313
Base-Backbone interact. energy: -0.502
local terms energy: -135.070426
where:
bonds (distance) C4'-P energy: -28.868
bonds (distance) P-C4' energy: -27.044
flat angles C4'-P-C4' energy: -26.633
flat angles P-C4'-P energy: -17.062
tors. eta vs tors. theta energy: -35.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -402.768083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.768083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.768083 (E_RNA)
where:
Base-Base interactions energy: -282.602
where: short stacking energy: -124.335
Base-Backbone interact. energy: -0.458
local terms energy: -119.708342
where:
bonds (distance) C4'-P energy: -25.042
bonds (distance) P-C4' energy: -27.581
flat angles C4'-P-C4' energy: -24.950
flat angles P-C4'-P energy: -17.468
tors. eta vs tors. theta energy: -24.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -569.109044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.109044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.109044 (E_RNA)
where:
Base-Base interactions energy: -398.975
where: short stacking energy: -167.218
Base-Backbone interact. energy: -1.503
local terms energy: -168.630535
where:
bonds (distance) C4'-P energy: -35.169
bonds (distance) P-C4' energy: -29.540
flat angles C4'-P-C4' energy: -31.699
flat angles P-C4'-P energy: -23.989
tors. eta vs tors. theta energy: -48.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -572.469628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.469628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.469628 (E_RNA)
where:
Base-Base interactions energy: -398.823
where: short stacking energy: -171.960
Base-Backbone interact. energy: 1.062
local terms energy: -174.709024
where:
bonds (distance) C4'-P energy: -30.355
bonds (distance) P-C4' energy: -35.732
flat angles C4'-P-C4' energy: -32.381
flat angles P-C4'-P energy: -26.729
tors. eta vs tors. theta energy: -49.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -569.461539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.461539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.461539 (E_RNA)
where:
Base-Base interactions energy: -392.646
where: short stacking energy: -170.547
Base-Backbone interact. energy: -2.207
local terms energy: -174.608196
where:
bonds (distance) C4'-P energy: -31.467
bonds (distance) P-C4' energy: -31.173
flat angles C4'-P-C4' energy: -35.148
flat angles P-C4'-P energy: -28.738
tors. eta vs tors. theta energy: -48.082
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: 7
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -552.966028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.966028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.966028 (E_RNA)
where:
Base-Base interactions energy: -394.300
where: short stacking energy: -166.509
Base-Backbone interact. energy: -1.241
local terms energy: -157.425835
where:
bonds (distance) C4'-P energy: -31.878
bonds (distance) P-C4' energy: -23.607
flat angles C4'-P-C4' energy: -35.496
flat angles P-C4'-P energy: -19.175
tors. eta vs tors. theta energy: -47.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -533.297962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.297962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.297962 (E_RNA)
where:
Base-Base interactions energy: -364.099
where: short stacking energy: -170.182
Base-Backbone interact. energy: 2.542
local terms energy: -171.740638
where:
bonds (distance) C4'-P energy: -29.466
bonds (distance) P-C4' energy: -31.163
flat angles C4'-P-C4' energy: -35.664
flat angles P-C4'-P energy: -24.284
tors. eta vs tors. theta energy: -51.165
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: 3
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -473.267838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.267838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.267838 (E_RNA)
where:
Base-Base interactions energy: -320.871
where: short stacking energy: -136.681
Base-Backbone interact. energy: -0.861
local terms energy: -151.535642
where:
bonds (distance) C4'-P energy: -29.812
bonds (distance) P-C4' energy: -31.835
flat angles C4'-P-C4' energy: -28.613
flat angles P-C4'-P energy: -21.710
tors. eta vs tors. theta energy: -39.567
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: 7, replica: 10
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -465.171039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.171039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.171039 (E_RNA)
where:
Base-Base interactions energy: -322.073
where: short stacking energy: -131.112
Base-Backbone interact. energy: -0.201
local terms energy: -142.897396
where:
bonds (distance) C4'-P energy: -25.238
bonds (distance) P-C4' energy: -29.743
flat angles C4'-P-C4' energy: -35.614
flat angles P-C4'-P energy: -22.393
tors. eta vs tors. theta energy: -29.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -446.159086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.159086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.159086 (E_RNA)
where:
Base-Base interactions energy: -331.714
where: short stacking energy: -122.103
Base-Backbone interact. energy: 0.923
local terms energy: -115.368315
where:
bonds (distance) C4'-P energy: -23.590
bonds (distance) P-C4' energy: -28.472
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -16.695
tors. eta vs tors. theta energy: -30.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -432.144976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.144976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.144976 (E_RNA)
where:
Base-Base interactions energy: -293.454
where: short stacking energy: -132.998
Base-Backbone interact. energy: -0.254
local terms energy: -138.436686
where:
bonds (distance) C4'-P energy: -25.188
bonds (distance) P-C4' energy: -21.018
flat angles C4'-P-C4' energy: -31.343
flat angles P-C4'-P energy: -22.204
tors. eta vs tors. theta energy: -38.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -356.367152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.367152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.367152 (E_RNA)
where:
Base-Base interactions energy: -243.482
where: short stacking energy: -103.629
Base-Backbone interact. energy: -0.051
local terms energy: -112.834581
where:
bonds (distance) C4'-P energy: -25.650
bonds (distance) P-C4' energy: -31.485
flat angles C4'-P-C4' energy: -24.330
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -19.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -583.226783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.226783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.226783 (E_RNA)
where:
Base-Base interactions energy: -406.595
where: short stacking energy: -166.569
Base-Backbone interact. energy: -0.416
local terms energy: -176.216329
where:
bonds (distance) C4'-P energy: -31.398
bonds (distance) P-C4' energy: -34.818
flat angles C4'-P-C4' energy: -39.807
flat angles P-C4'-P energy: -21.643
tors. eta vs tors. theta energy: -48.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -578.091797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.091797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.091797 (E_RNA)
where:
Base-Base interactions energy: -410.303
where: short stacking energy: -168.502
Base-Backbone interact. energy: -1.074
local terms energy: -166.714896
where:
bonds (distance) C4'-P energy: -29.966
bonds (distance) P-C4' energy: -31.962
flat angles C4'-P-C4' energy: -33.389
flat angles P-C4'-P energy: -24.740
tors. eta vs tors. theta energy: -46.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -566.485843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.485843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.485843 (E_RNA)
where:
Base-Base interactions energy: -394.412
where: short stacking energy: -180.354
Base-Backbone interact. energy: -0.171
local terms energy: -171.903179
where:
bonds (distance) C4'-P energy: -37.098
bonds (distance) P-C4' energy: -26.414
flat angles C4'-P-C4' energy: -34.255
flat angles P-C4'-P energy: -23.268
tors. eta vs tors. theta energy: -50.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -541.369123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.369123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.369123 (E_RNA)
where:
Base-Base interactions energy: -367.805
where: short stacking energy: -171.315
Base-Backbone interact. energy: -0.001
local terms energy: -173.562582
where:
bonds (distance) C4'-P energy: -32.479
bonds (distance) P-C4' energy: -28.192
flat angles C4'-P-C4' energy: -37.263
flat angles P-C4'-P energy: -24.309
tors. eta vs tors. theta energy: -51.319
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: 7
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -535.063679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.063679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.063679 (E_RNA)
where:
Base-Base interactions energy: -375.840
where: short stacking energy: -150.101
Base-Backbone interact. energy: -1.240
local terms energy: -157.983768
where:
bonds (distance) C4'-P energy: -22.705
bonds (distance) P-C4' energy: -35.310
flat angles C4'-P-C4' energy: -29.490
flat angles P-C4'-P energy: -22.029
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: 6, replica: 10
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -473.319880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.319880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.319880 (E_RNA)
where:
Base-Base interactions energy: -331.415
where: short stacking energy: -150.785
Base-Backbone interact. energy: -0.658
local terms energy: -141.246863
where:
bonds (distance) C4'-P energy: -30.767
bonds (distance) P-C4' energy: -30.221
flat angles C4'-P-C4' energy: -29.973
flat angles P-C4'-P energy: -19.165
tors. eta vs tors. theta energy: -31.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -442.069126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.069126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.069126 (E_RNA)
where:
Base-Base interactions energy: -303.780
where: short stacking energy: -137.861
Base-Backbone interact. energy: -1.035
local terms energy: -137.254116
where:
bonds (distance) C4'-P energy: -27.645
bonds (distance) P-C4' energy: -25.208
flat angles C4'-P-C4' energy: -34.899
flat angles P-C4'-P energy: -18.063
tors. eta vs tors. theta energy: -31.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -441.943272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.943272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.943272 (E_RNA)
where:
Base-Base interactions energy: -304.929
where: short stacking energy: -135.815
Base-Backbone interact. energy: -1.258
local terms energy: -135.756797
where:
bonds (distance) C4'-P energy: -21.359
bonds (distance) P-C4' energy: -23.658
flat angles C4'-P-C4' energy: -32.581
flat angles P-C4'-P energy: -23.825
tors. eta vs tors. theta energy: -34.334
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: 243
Temperature: 1.300000
Total energy: -454.582449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.582449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.582449 (E_RNA)
where:
Base-Base interactions energy: -333.654
where: short stacking energy: -131.957
Base-Backbone interact. energy: 1.198
local terms energy: -122.126506
where:
bonds (distance) C4'-P energy: -24.434
bonds (distance) P-C4' energy: -29.488
flat angles C4'-P-C4' energy: -26.699
flat angles P-C4'-P energy: -15.893
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: 10, replica: 1
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -362.815012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.815012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.815012 (E_RNA)
where:
Base-Base interactions energy: -249.433
where: short stacking energy: -94.332
Base-Backbone interact. energy: -1.832
local terms energy: -111.549206
where:
bonds (distance) C4'-P energy: -28.616
bonds (distance) P-C4' energy: -30.123
flat angles C4'-P-C4' energy: -29.538
flat angles P-C4'-P energy: -16.160
tors. eta vs tors. theta energy: -7.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -588.023130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.023130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.023130 (E_RNA)
where:
Base-Base interactions energy: -408.348
where: short stacking energy: -175.427
Base-Backbone interact. energy: -1.048
local terms energy: -178.627558
where:
bonds (distance) C4'-P energy: -34.127
bonds (distance) P-C4' energy: -35.559
flat angles C4'-P-C4' energy: -35.426
flat angles P-C4'-P energy: -26.087
tors. eta vs tors. theta energy: -47.429
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: 2, replica: 5
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -573.881326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.881326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.881326 (E_RNA)
where:
Base-Base interactions energy: -399.455
where: short stacking energy: -173.357
Base-Backbone interact. energy: -0.857
local terms energy: -173.568823
where:
bonds (distance) C4'-P energy: -33.761
bonds (distance) P-C4' energy: -29.330
flat angles C4'-P-C4' energy: -37.698
flat angles P-C4'-P energy: -26.473
tors. eta vs tors. theta energy: -46.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -560.649554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.649554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.649554 (E_RNA)
where:
Base-Base interactions energy: -393.605
where: short stacking energy: -168.082
Base-Backbone interact. energy: -0.184
local terms energy: -166.860337
where:
bonds (distance) C4'-P energy: -28.878
bonds (distance) P-C4' energy: -30.460
flat angles C4'-P-C4' energy: -36.511
flat angles P-C4'-P energy: -24.314
tors. eta vs tors. theta energy: -46.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -539.087639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.087639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.087639 (E_RNA)
where:
Base-Base interactions energy: -363.026
where: short stacking energy: -170.735
Base-Backbone interact. energy: -0.346
local terms energy: -175.715816
where:
bonds (distance) C4'-P energy: -32.892
bonds (distance) P-C4' energy: -32.663
flat angles C4'-P-C4' energy: -36.144
flat angles P-C4'-P energy: -27.161
tors. eta vs tors. theta energy: -46.856
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: 7
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -553.641541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.641541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.641541 (E_RNA)
where:
Base-Base interactions energy: -406.233
where: short stacking energy: -163.777
Base-Backbone interact. energy: 0.250
local terms energy: -147.658361
where:
bonds (distance) C4'-P energy: -27.936
bonds (distance) P-C4' energy: -28.222
flat angles C4'-P-C4' energy: -28.207
flat angles P-C4'-P energy: -18.281
tors. eta vs tors. theta energy: -45.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -475.083752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.083752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.083752 (E_RNA)
where:
Base-Base interactions energy: -335.478
where: short stacking energy: -139.424
Base-Backbone interact. energy: -0.832
local terms energy: -138.773733
where:
bonds (distance) C4'-P energy: -25.196
bonds (distance) P-C4' energy: -29.044
flat angles C4'-P-C4' energy: -26.792
flat angles P-C4'-P energy: -23.146
tors. eta vs tors. theta energy: -34.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -435.455370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.455370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.455370 (E_RNA)
where:
Base-Base interactions energy: -289.688
where: short stacking energy: -130.410
Base-Backbone interact. energy: -0.046
local terms energy: -145.722032
where:
bonds (distance) C4'-P energy: -26.919
bonds (distance) P-C4' energy: -27.420
flat angles C4'-P-C4' energy: -39.195
flat angles P-C4'-P energy: -25.329
tors. eta vs tors. theta energy: -26.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -420.069789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.069789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.069789 (E_RNA)
where:
Base-Base interactions energy: -276.508
where: short stacking energy: -128.926
Base-Backbone interact. energy: -0.431
local terms energy: -143.130734
where:
bonds (distance) C4'-P energy: -21.902
bonds (distance) P-C4' energy: -34.853
flat angles C4'-P-C4' energy: -33.387
flat angles P-C4'-P energy: -24.541
tors. eta vs tors. theta energy: -28.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -353.880780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.880780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.880780 (E_RNA)
where:
Base-Base interactions energy: -238.453
where: short stacking energy: -92.063
Base-Backbone interact. energy: -0.945
local terms energy: -114.482591
where:
bonds (distance) C4'-P energy: -25.855
bonds (distance) P-C4' energy: -28.279
flat angles C4'-P-C4' energy: -28.020
flat angles P-C4'-P energy: -17.603
tors. eta vs tors. theta energy: -14.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -390.751815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.751815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.751815 (E_RNA)
where:
Base-Base interactions energy: -278.487
where: short stacking energy: -126.210
Base-Backbone interact. energy: -0.280
local terms energy: -111.984845
where:
bonds (distance) C4'-P energy: -27.456
bonds (distance) P-C4' energy: -26.365
flat angles C4'-P-C4' energy: -20.334
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -27.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -585.481824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.481824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.481824 (E_RNA)
where:
Base-Base interactions energy: -399.807
where: short stacking energy: -177.766
Base-Backbone interact. energy: -0.401
local terms energy: -185.274218
where:
bonds (distance) C4'-P energy: -33.344
bonds (distance) P-C4' energy: -34.601
flat angles C4'-P-C4' energy: -36.360
flat angles P-C4'-P energy: -29.050
tors. eta vs tors. theta energy: -51.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -574.488159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.488159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.488159 (E_RNA)
where:
Base-Base interactions energy: -393.560
where: short stacking energy: -175.800
Base-Backbone interact. energy: -0.954
local terms energy: -179.973569
where:
bonds (distance) C4'-P energy: -31.191
bonds (distance) P-C4' energy: -39.185
flat angles C4'-P-C4' energy: -32.910
flat angles P-C4'-P energy: -26.518
tors. eta vs tors. theta energy: -50.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -555.897573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.897573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.897573 (E_RNA)
where:
Base-Base interactions energy: -381.126
where: short stacking energy: -167.026
Base-Backbone interact. energy: -0.929
local terms energy: -173.842666
where:
bonds (distance) C4'-P energy: -36.200
bonds (distance) P-C4' energy: -31.218
flat angles C4'-P-C4' energy: -34.470
flat angles P-C4'-P energy: -24.518
tors. eta vs tors. theta energy: -47.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -541.495848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.495848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.495848 (E_RNA)
where:
Base-Base interactions energy: -385.157
where: short stacking energy: -153.916
Base-Backbone interact. energy: -0.399
local terms energy: -155.940533
where:
bonds (distance) C4'-P energy: -28.904
bonds (distance) P-C4' energy: -28.421
flat angles C4'-P-C4' energy: -36.462
flat angles P-C4'-P energy: -21.311
tors. eta vs tors. theta energy: -40.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -520.612410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.612410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.612410 (E_RNA)
where:
Base-Base interactions energy: -350.102
where: short stacking energy: -162.494
Base-Backbone interact. energy: -0.663
local terms energy: -169.847157
where:
bonds (distance) C4'-P energy: -32.102
bonds (distance) P-C4' energy: -29.973
flat angles C4'-P-C4' energy: -36.809
flat angles P-C4'-P energy: -26.031
tors. eta vs tors. theta energy: -44.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -490.091055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.091055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.091055 (E_RNA)
where:
Base-Base interactions energy: -350.704
where: short stacking energy: -149.874
Base-Backbone interact. energy: -1.453
local terms energy: -137.933393
where:
bonds (distance) C4'-P energy: -30.896
bonds (distance) P-C4' energy: -29.680
flat angles C4'-P-C4' energy: -28.011
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -36.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -464.626165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.626165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.626165 (E_RNA)
where:
Base-Base interactions energy: -318.367
where: short stacking energy: -143.879
Base-Backbone interact. energy: -1.000
local terms energy: -145.259355
where:
bonds (distance) C4'-P energy: -25.870
bonds (distance) P-C4' energy: -33.101
flat angles C4'-P-C4' energy: -35.078
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -39.721
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: 4
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -462.343279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.343279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.343279 (E_RNA)
where:
Base-Base interactions energy: -312.300
where: short stacking energy: -139.190
Base-Backbone interact. energy: -1.387
local terms energy: -148.656701
where:
bonds (distance) C4'-P energy: -25.818
bonds (distance) P-C4' energy: -28.287
flat angles C4'-P-C4' energy: -34.557
flat angles P-C4'-P energy: -21.262
tors. eta vs tors. theta energy: -38.732
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: 1
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -358.962200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.962200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.962200 (E_RNA)
where:
Base-Base interactions energy: -244.212
where: short stacking energy: -104.352
Base-Backbone interact. energy: -0.607
local terms energy: -114.143162
where:
bonds (distance) C4'-P energy: -19.816
bonds (distance) P-C4' energy: -26.527
flat angles C4'-P-C4' energy: -32.800
flat angles P-C4'-P energy: -14.288
tors. eta vs tors. theta energy: -20.712
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: 245
Temperature: 1.350000
Total energy: -406.131030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.131030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.131030 (E_RNA)
where:
Base-Base interactions energy: -285.998
where: short stacking energy: -117.869
Base-Backbone interact. energy: 0.148
local terms energy: -120.280510
where:
bonds (distance) C4'-P energy: -23.595
bonds (distance) P-C4' energy: -26.303
flat angles C4'-P-C4' energy: -26.160
flat angles P-C4'-P energy: -25.674
tors. eta vs tors. theta energy: -18.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -589.813311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.813311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.813311 (E_RNA)
where:
Base-Base interactions energy: -406.360
where: short stacking energy: -178.981
Base-Backbone interact. energy: -0.896
local terms energy: -182.557299
where:
bonds (distance) C4'-P energy: -35.099
bonds (distance) P-C4' energy: -30.552
flat angles C4'-P-C4' energy: -33.371
flat angles P-C4'-P energy: -30.883
tors. eta vs tors. theta energy: -52.652
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: 246
Temperature: 0.950000
Total energy: -569.822081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.822081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.822081 (E_RNA)
where:
Base-Base interactions energy: -397.069
where: short stacking energy: -183.953
Base-Backbone interact. energy: 1.638
local terms energy: -174.391014
where:
bonds (distance) C4'-P energy: -32.821
bonds (distance) P-C4' energy: -25.296
flat angles C4'-P-C4' energy: -41.105
flat angles P-C4'-P energy: -23.592
tors. eta vs tors. theta energy: -51.578
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: 2
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -564.216524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.216524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.216524 (E_RNA)
where:
Base-Base interactions energy: -383.823
where: short stacking energy: -168.728
Base-Backbone interact. energy: -2.080
local terms energy: -178.313450
where:
bonds (distance) C4'-P energy: -33.338
bonds (distance) P-C4' energy: -32.140
flat angles C4'-P-C4' energy: -34.790
flat angles P-C4'-P energy: -30.092
tors. eta vs tors. theta energy: -47.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -538.587149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.587149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.587149 (E_RNA)
where:
Base-Base interactions energy: -381.221
where: short stacking energy: -148.710
Base-Backbone interact. energy: -0.346
local terms energy: -157.020237
where:
bonds (distance) C4'-P energy: -27.447
bonds (distance) P-C4' energy: -34.022
flat angles C4'-P-C4' energy: -32.336
flat angles P-C4'-P energy: -19.860
tors. eta vs tors. theta energy: -43.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -527.749319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.749319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.749319 (E_RNA)
where:
Base-Base interactions energy: -361.541
where: short stacking energy: -165.320
Base-Backbone interact. energy: -0.333
local terms energy: -165.874848
where:
bonds (distance) C4'-P energy: -24.513
bonds (distance) P-C4' energy: -27.575
flat angles C4'-P-C4' energy: -38.605
flat angles P-C4'-P energy: -25.751
tors. eta vs tors. theta energy: -49.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -485.957753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.957753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.957753 (E_RNA)
where:
Base-Base interactions energy: -336.093
where: short stacking energy: -148.935
Base-Backbone interact. energy: -0.133
local terms energy: -149.731789
where:
bonds (distance) C4'-P energy: -27.818
bonds (distance) P-C4' energy: -27.356
flat angles C4'-P-C4' energy: -32.744
flat angles P-C4'-P energy: -19.953
tors. eta vs tors. theta energy: -41.861
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: 4
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -449.078627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.078627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.078627 (E_RNA)
where:
Base-Base interactions energy: -319.623
where: short stacking energy: -142.677
Base-Backbone interact. energy: -0.127
local terms energy: -129.329112
where:
bonds (distance) C4'-P energy: -18.542
bonds (distance) P-C4' energy: -28.006
flat angles C4'-P-C4' energy: -30.978
flat angles P-C4'-P energy: -22.229
tors. eta vs tors. theta energy: -29.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -445.401629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.401629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.401629 (E_RNA)
where:
Base-Base interactions energy: -311.330
where: short stacking energy: -135.812
Base-Backbone interact. energy: -0.425
local terms energy: -133.647250
where:
bonds (distance) C4'-P energy: -17.641
bonds (distance) P-C4' energy: -33.121
flat angles C4'-P-C4' energy: -34.148
flat angles P-C4'-P energy: -15.760
tors. eta vs tors. theta energy: -32.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -446.289270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.289270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.289270 (E_RNA)
where:
Base-Base interactions energy: -324.432
where: short stacking energy: -131.204
Base-Backbone interact. energy: 2.168
local terms energy: -124.024730
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -24.766
flat angles C4'-P-C4' energy: -32.070
flat angles P-C4'-P energy: -15.541
tors. eta vs tors. theta energy: -34.125
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: 1
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -342.565503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.565503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.565503 (E_RNA)
where:
Base-Base interactions energy: -232.107
where: short stacking energy: -97.095
Base-Backbone interact. energy: -0.195
local terms energy: -110.263295
where:
bonds (distance) C4'-P energy: -27.639
bonds (distance) P-C4' energy: -18.522
flat angles C4'-P-C4' energy: -28.819
flat angles P-C4'-P energy: -19.327
tors. eta vs tors. theta energy: -15.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -583.024440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.024440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.024440 (E_RNA)
where:
Base-Base interactions energy: -413.763
where: short stacking energy: -181.134
Base-Backbone interact. energy: -0.692
local terms energy: -168.569030
where:
bonds (distance) C4'-P energy: -34.106
bonds (distance) P-C4' energy: -22.465
flat angles C4'-P-C4' energy: -36.085
flat angles P-C4'-P energy: -24.123
tors. eta vs tors. theta energy: -51.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -547.942988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.942988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.942988 (E_RNA)
where:
Base-Base interactions energy: -389.579
where: short stacking energy: -173.217
Base-Backbone interact. energy: -0.211
local terms energy: -158.153265
where:
bonds (distance) C4'-P energy: -24.436
bonds (distance) P-C4' energy: -33.182
flat angles C4'-P-C4' energy: -32.425
flat angles P-C4'-P energy: -19.627
tors. eta vs tors. theta energy: -48.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -533.309292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.309292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.309292 (E_RNA)
where:
Base-Base interactions energy: -366.171
where: short stacking energy: -171.111
Base-Backbone interact. energy: 0.208
local terms energy: -167.346318
where:
bonds (distance) C4'-P energy: -23.126
bonds (distance) P-C4' energy: -36.330
flat angles C4'-P-C4' energy: -36.782
flat angles P-C4'-P energy: -26.609
tors. eta vs tors. theta energy: -44.500
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: 7
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -540.362594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.362594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.362594 (E_RNA)
where:
Base-Base interactions energy: -387.951
where: short stacking energy: -147.052
Base-Backbone interact. energy: -1.658
local terms energy: -150.754224
where:
bonds (distance) C4'-P energy: -23.577
bonds (distance) P-C4' energy: -32.532
flat angles C4'-P-C4' energy: -34.124
flat angles P-C4'-P energy: -21.683
tors. eta vs tors. theta energy: -38.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -526.384611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.384611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.384611 (E_RNA)
where:
Base-Base interactions energy: -359.231
where: short stacking energy: -163.328
Base-Backbone interact. energy: 2.734
local terms energy: -169.887059
where:
bonds (distance) C4'-P energy: -28.255
bonds (distance) P-C4' energy: -27.522
flat angles C4'-P-C4' energy: -37.463
flat angles P-C4'-P energy: -27.245
tors. eta vs tors. theta energy: -49.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -483.461071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.461071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.461071 (E_RNA)
where:
Base-Base interactions energy: -354.635
where: short stacking energy: -155.086
Base-Backbone interact. energy: -0.703
local terms energy: -128.122620
where:
bonds (distance) C4'-P energy: -14.113
bonds (distance) P-C4' energy: -23.904
flat angles C4'-P-C4' energy: -31.560
flat angles P-C4'-P energy: -21.510
tors. eta vs tors. theta energy: -37.035
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: 7, replica: 4
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -461.054207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.054207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.054207 (E_RNA)
where:
Base-Base interactions energy: -317.881
where: short stacking energy: -133.911
Base-Backbone interact. energy: -0.613
local terms energy: -142.560955
where:
bonds (distance) C4'-P energy: -26.161
bonds (distance) P-C4' energy: -28.858
flat angles C4'-P-C4' energy: -32.423
flat angles P-C4'-P energy: -15.702
tors. eta vs tors. theta energy: -39.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -480.852515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.852515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.852515 (E_RNA)
where:
Base-Base interactions energy: -346.275
where: short stacking energy: -134.069
Base-Backbone interact. energy: -0.564
local terms energy: -134.013636
where:
bonds (distance) C4'-P energy: -18.168
bonds (distance) P-C4' energy: -35.340
flat angles C4'-P-C4' energy: -32.959
flat angles P-C4'-P energy: -13.700
tors. eta vs tors. theta energy: -33.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -413.046556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.046556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.046556 (E_RNA)
where:
Base-Base interactions energy: -292.016
where: short stacking energy: -116.178
Base-Backbone interact. energy: -0.438
local terms energy: -120.592225
where:
bonds (distance) C4'-P energy: -24.874
bonds (distance) P-C4' energy: -18.274
flat angles C4'-P-C4' energy: -23.568
flat angles P-C4'-P energy: -24.784
tors. eta vs tors. theta energy: -29.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -382.489767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.489767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.489767 (E_RNA)
where:
Base-Base interactions energy: -250.832
where: short stacking energy: -101.840
Base-Backbone interact. energy: -0.893
local terms energy: -130.764406
where:
bonds (distance) C4'-P energy: -26.309
bonds (distance) P-C4' energy: -26.991
flat angles C4'-P-C4' energy: -37.741
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -28.480
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: 1, replica: 8
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -586.273446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.273446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.273446 (E_RNA)
where:
Base-Base interactions energy: -412.231
where: short stacking energy: -177.769
Base-Backbone interact. energy: -0.504
local terms energy: -173.537967
where:
bonds (distance) C4'-P energy: -31.763
bonds (distance) P-C4' energy: -31.551
flat angles C4'-P-C4' energy: -34.664
flat angles P-C4'-P energy: -24.931
tors. eta vs tors. theta energy: -50.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -559.960072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.960072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.960072 (E_RNA)
where:
Base-Base interactions energy: -382.415
where: short stacking energy: -163.507
Base-Backbone interact. energy: -1.273
local terms energy: -176.272357
where:
bonds (distance) C4'-P energy: -34.801
bonds (distance) P-C4' energy: -32.974
flat angles C4'-P-C4' energy: -37.279
flat angles P-C4'-P energy: -24.864
tors. eta vs tors. theta energy: -46.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -545.923296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.923296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.923296 (E_RNA)
where:
Base-Base interactions energy: -377.259
where: short stacking energy: -155.823
Base-Backbone interact. energy: -0.991
local terms energy: -167.673732
where:
bonds (distance) C4'-P energy: -30.570
bonds (distance) P-C4' energy: -32.210
flat angles C4'-P-C4' energy: -33.326
flat angles P-C4'-P energy: -28.560
tors. eta vs tors. theta energy: -43.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -531.392886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.392886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.392886 (E_RNA)
where:
Base-Base interactions energy: -361.885
where: short stacking energy: -160.101
Base-Backbone interact. energy: -0.700
local terms energy: -168.808653
where:
bonds (distance) C4'-P energy: -29.042
bonds (distance) P-C4' energy: -34.612
flat angles C4'-P-C4' energy: -35.178
flat angles P-C4'-P energy: -26.442
tors. eta vs tors. theta energy: -43.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -516.810114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.810114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.810114 (E_RNA)
where:
Base-Base interactions energy: -359.548
where: short stacking energy: -169.408
Base-Backbone interact. energy: -0.003
local terms energy: -157.259306
where:
bonds (distance) C4'-P energy: -26.305
bonds (distance) P-C4' energy: -25.427
flat angles C4'-P-C4' energy: -34.583
flat angles P-C4'-P energy: -21.146
tors. eta vs tors. theta energy: -49.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -479.312543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.312543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.312543 (E_RNA)
where:
Base-Base interactions energy: -336.972
where: short stacking energy: -133.274
Base-Backbone interact. energy: -0.744
local terms energy: -141.596311
where:
bonds (distance) C4'-P energy: -32.176
bonds (distance) P-C4' energy: -30.113
flat angles C4'-P-C4' energy: -33.814
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -35.358
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: 9
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -469.844424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.844424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.844424 (E_RNA)
where:
Base-Base interactions energy: -334.617
where: short stacking energy: -133.125
Base-Backbone interact. energy: -0.170
local terms energy: -135.057537
where:
bonds (distance) C4'-P energy: -23.126
bonds (distance) P-C4' energy: -27.817
flat angles C4'-P-C4' energy: -34.072
flat angles P-C4'-P energy: -17.415
tors. eta vs tors. theta energy: -32.627
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: 8, replica: 4
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -435.340063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.340063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.340063 (E_RNA)
where:
Base-Base interactions energy: -299.171
where: short stacking energy: -132.602
Base-Backbone interact. energy: -0.339
local terms energy: -135.830296
where:
bonds (distance) C4'-P energy: -30.716
bonds (distance) P-C4' energy: -21.901
flat angles C4'-P-C4' energy: -29.378
flat angles P-C4'-P energy: -18.933
tors. eta vs tors. theta energy: -34.903
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: 1
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -374.125155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.125155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.125155 (E_RNA)
where:
Base-Base interactions energy: -229.309
where: short stacking energy: -106.830
Base-Backbone interact. energy: -0.385
local terms energy: -144.430562
where:
bonds (distance) C4'-P energy: -29.848
bonds (distance) P-C4' energy: -34.849
flat angles C4'-P-C4' energy: -28.814
flat angles P-C4'-P energy: -26.348
tors. eta vs tors. theta energy: -24.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -417.378624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.378624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.378624 (E_RNA)
where:
Base-Base interactions energy: -295.728
where: short stacking energy: -133.871
Base-Backbone interact. energy: -1.014
local terms energy: -120.636799
where:
bonds (distance) C4'-P energy: -23.355
bonds (distance) P-C4' energy: -20.292
flat angles C4'-P-C4' energy: -31.835
flat angles P-C4'-P energy: -13.660
tors. eta vs tors. theta energy: -31.495
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: 8
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -596.456050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.456050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.456050 (E_RNA)
where:
Base-Base interactions energy: -417.064
where: short stacking energy: -187.486
Base-Backbone interact. energy: -1.034
local terms energy: -178.357678
where:
bonds (distance) C4'-P energy: -28.151
bonds (distance) P-C4' energy: -34.687
flat angles C4'-P-C4' energy: -36.781
flat angles P-C4'-P energy: -27.956
tors. eta vs tors. theta energy: -50.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -561.907912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.907912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.907912 (E_RNA)
where:
Base-Base interactions energy: -378.408
where: short stacking energy: -169.743
Base-Backbone interact. energy: -0.709
local terms energy: -182.790385
where:
bonds (distance) C4'-P energy: -36.849
bonds (distance) P-C4' energy: -34.892
flat angles C4'-P-C4' energy: -37.675
flat angles P-C4'-P energy: -26.076
tors. eta vs tors. theta energy: -47.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -546.638105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.638105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.638105 (E_RNA)
where:
Base-Base interactions energy: -394.680
where: short stacking energy: -154.513
Base-Backbone interact. energy: -0.341
local terms energy: -151.617093
where:
bonds (distance) C4'-P energy: -32.305
bonds (distance) P-C4' energy: -32.990
flat angles C4'-P-C4' energy: -24.539
flat angles P-C4'-P energy: -20.949
tors. eta vs tors. theta energy: -40.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -531.096842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.096842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.096842 (E_RNA)
where:
Base-Base interactions energy: -364.408
where: short stacking energy: -161.814
Base-Backbone interact. energy: -0.001
local terms energy: -166.687938
where:
bonds (distance) C4'-P energy: -28.144
bonds (distance) P-C4' energy: -32.983
flat angles C4'-P-C4' energy: -34.090
flat angles P-C4'-P energy: -20.484
tors. eta vs tors. theta energy: -50.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -522.737526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.737526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.737526 (E_RNA)
where:
Base-Base interactions energy: -355.077
where: short stacking energy: -172.236
Base-Backbone interact. energy: 0.010
local terms energy: -167.671108
where:
bonds (distance) C4'-P energy: -24.711
bonds (distance) P-C4' energy: -35.127
flat angles C4'-P-C4' energy: -34.697
flat angles P-C4'-P energy: -24.695
tors. eta vs tors. theta energy: -48.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -498.687997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.687997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.687997 (E_RNA)
where:
Base-Base interactions energy: -347.216
where: short stacking energy: -153.662
Base-Backbone interact. energy: -1.871
local terms energy: -149.601094
where:
bonds (distance) C4'-P energy: -24.632
bonds (distance) P-C4' energy: -29.397
flat angles C4'-P-C4' energy: -31.759
flat angles P-C4'-P energy: -21.220
tors. eta vs tors. theta energy: -42.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -412.990328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.990328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.990328 (E_RNA)
where:
Base-Base interactions energy: -285.902
where: short stacking energy: -115.350
Base-Backbone interact. energy: -0.439
local terms energy: -126.649115
where:
bonds (distance) C4'-P energy: -23.861
bonds (distance) P-C4' energy: -28.645
flat angles C4'-P-C4' energy: -23.470
flat angles P-C4'-P energy: -22.167
tors. eta vs tors. theta energy: -28.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -443.843827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.843827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.843827 (E_RNA)
where:
Base-Base interactions energy: -290.155
where: short stacking energy: -143.611
Base-Backbone interact. energy: -1.119
local terms energy: -152.570118
where:
bonds (distance) C4'-P energy: -22.587
bonds (distance) P-C4' energy: -31.854
flat angles C4'-P-C4' energy: -36.931
flat angles P-C4'-P energy: -20.839
tors. eta vs tors. theta energy: -40.359
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: 9, replica: 1
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -389.595477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.595477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.595477 (E_RNA)
where:
Base-Base interactions energy: -261.979
where: short stacking energy: -122.329
Base-Backbone interact. energy: 1.343
local terms energy: -128.959880
where:
bonds (distance) C4'-P energy: -26.865
bonds (distance) P-C4' energy: -26.168
flat angles C4'-P-C4' energy: -28.009
flat angles P-C4'-P energy: -25.214
tors. eta vs tors. theta energy: -22.705
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: 3
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -366.421067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.421067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.421067 (E_RNA)
where:
Base-Base interactions energy: -262.152
where: short stacking energy: -113.330
Base-Backbone interact. energy: -1.753
local terms energy: -102.515626
where:
bonds (distance) C4'-P energy: -16.734
bonds (distance) P-C4' energy: -21.630
flat angles C4'-P-C4' energy: -32.874
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -18.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -581.615025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.615025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.615025 (E_RNA)
where:
Base-Base interactions energy: -401.627
where: short stacking energy: -174.419
Base-Backbone interact. energy: -0.994
local terms energy: -178.993976
where:
bonds (distance) C4'-P energy: -31.397
bonds (distance) P-C4' energy: -30.090
flat angles C4'-P-C4' energy: -38.237
flat angles P-C4'-P energy: -26.575
tors. eta vs tors. theta energy: -52.695
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: 250
Temperature: 0.950000
Total energy: -558.645496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.645496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.645496 (E_RNA)
where:
Base-Base interactions energy: -397.794
where: short stacking energy: -173.080
Base-Backbone interact. energy: -0.009
local terms energy: -160.842742
where:
bonds (distance) C4'-P energy: -20.733
bonds (distance) P-C4' energy: -34.434
flat angles C4'-P-C4' energy: -35.701
flat angles P-C4'-P energy: -22.444
tors. eta vs tors. theta energy: -47.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -540.099293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.099293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.099293 (E_RNA)
where:
Base-Base interactions energy: -371.829
where: short stacking energy: -171.592
Base-Backbone interact. energy: -0.092
local terms energy: -168.178145
where:
bonds (distance) C4'-P energy: -34.312
bonds (distance) P-C4' energy: -33.225
flat angles C4'-P-C4' energy: -33.168
flat angles P-C4'-P energy: -18.461
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: 4, replica: 7
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -543.570876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.570876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.570876 (E_RNA)
where:
Base-Base interactions energy: -386.993
where: short stacking energy: -163.163
Base-Backbone interact. energy: -2.682
local terms energy: -153.896091
where:
bonds (distance) C4'-P energy: -25.465
bonds (distance) P-C4' energy: -28.329
flat angles C4'-P-C4' energy: -29.125
flat angles P-C4'-P energy: -26.121
tors. eta vs tors. theta energy: -44.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -516.971590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.971590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.971590 (E_RNA)
where:
Base-Base interactions energy: -362.760
where: short stacking energy: -171.325
Base-Backbone interact. energy: -0.752
local terms energy: -153.460207
where:
bonds (distance) C4'-P energy: -24.645
bonds (distance) P-C4' energy: -29.258
flat angles C4'-P-C4' energy: -35.662
flat angles P-C4'-P energy: -18.775
tors. eta vs tors. theta energy: -45.120
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: 6, replica: 10
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -497.554733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.554733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.554733 (E_RNA)
where:
Base-Base interactions energy: -344.368
where: short stacking energy: -156.987
Base-Backbone interact. energy: 2.259
local terms energy: -155.445891
where:
bonds (distance) C4'-P energy: -28.797
bonds (distance) P-C4' energy: -29.411
flat angles C4'-P-C4' energy: -33.834
flat angles P-C4'-P energy: -23.030
tors. eta vs tors. theta energy: -40.373
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: 7, replica: 4
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -457.256491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.256491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.256491 (E_RNA)
where:
Base-Base interactions energy: -302.027
where: short stacking energy: -143.902
Base-Backbone interact. energy: -0.077
local terms energy: -155.152279
where:
bonds (distance) C4'-P energy: -29.437
bonds (distance) P-C4' energy: -25.553
flat angles C4'-P-C4' energy: -37.245
flat angles P-C4'-P energy: -21.995
tors. eta vs tors. theta energy: -40.924
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: 8, replica: 9
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -354.257076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.257076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.257076 (E_RNA)
where:
Base-Base interactions energy: -239.703
where: short stacking energy: -107.339
Base-Backbone interact. energy: -0.673
local terms energy: -113.881465
where:
bonds (distance) C4'-P energy: -35.657
bonds (distance) P-C4' energy: -18.900
flat angles C4'-P-C4' energy: -31.264
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -17.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -398.624368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.624368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.624368 (E_RNA)
where:
Base-Base interactions energy: -275.292
where: short stacking energy: -127.643
Base-Backbone interact. energy: -0.408
local terms energy: -122.924908
where:
bonds (distance) C4'-P energy: -17.806
bonds (distance) P-C4' energy: -26.090
flat angles C4'-P-C4' energy: -29.184
flat angles P-C4'-P energy: -17.763
tors. eta vs tors. theta energy: -32.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -309.901558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.901558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.901558 (E_RNA)
where:
Base-Base interactions energy: -201.013
where: short stacking energy: -96.791
Base-Backbone interact. energy: -0.298
local terms energy: -108.590097
where:
bonds (distance) C4'-P energy: -24.554
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -29.691
flat angles P-C4'-P energy: -21.204
tors. eta vs tors. theta energy: -17.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -579.609529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.609529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.609529 (E_RNA)
where:
Base-Base interactions energy: -409.880
where: short stacking energy: -176.525
Base-Backbone interact. energy: -0.810
local terms energy: -168.919506
where:
bonds (distance) C4'-P energy: -31.020
bonds (distance) P-C4' energy: -30.199
flat angles C4'-P-C4' energy: -34.752
flat angles P-C4'-P energy: -24.063
tors. eta vs tors. theta energy: -48.885
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: 2
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -571.659360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.659360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.659360 (E_RNA)
where:
Base-Base interactions energy: -398.377
where: short stacking energy: -167.737
Base-Backbone interact. energy: -0.007
local terms energy: -173.275375
where:
bonds (distance) C4'-P energy: -29.035
bonds (distance) P-C4' energy: -32.247
flat angles C4'-P-C4' energy: -35.675
flat angles P-C4'-P energy: -26.652
tors. eta vs tors. theta energy: -49.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -541.429617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.429617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.429617 (E_RNA)
where:
Base-Base interactions energy: -370.610
where: short stacking energy: -164.115
Base-Backbone interact. energy: 0.390
local terms energy: -171.210339
where:
bonds (distance) C4'-P energy: -32.726
bonds (distance) P-C4' energy: -32.159
flat angles C4'-P-C4' energy: -33.902
flat angles P-C4'-P energy: -25.678
tors. eta vs tors. theta energy: -46.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -546.475047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.475047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.475047 (E_RNA)
where:
Base-Base interactions energy: -372.587
where: short stacking energy: -173.704
Base-Backbone interact. energy: -1.070
local terms energy: -172.817788
where:
bonds (distance) C4'-P energy: -29.923
bonds (distance) P-C4' energy: -33.016
flat angles C4'-P-C4' energy: -37.047
flat angles P-C4'-P energy: -24.493
tors. eta vs tors. theta energy: -48.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -527.949988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.949988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.949988 (E_RNA)
where:
Base-Base interactions energy: -377.435
where: short stacking energy: -149.054
Base-Backbone interact. energy: -2.316
local terms energy: -148.199114
where:
bonds (distance) C4'-P energy: -25.892
bonds (distance) P-C4' energy: -31.459
flat angles C4'-P-C4' energy: -31.410
flat angles P-C4'-P energy: -16.363
tors. eta vs tors. theta energy: -43.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -487.931123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.931123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.931123 (E_RNA)
where:
Base-Base interactions energy: -347.013
where: short stacking energy: -151.345
Base-Backbone interact. energy: -0.688
local terms energy: -140.229735
where:
bonds (distance) C4'-P energy: -24.795
bonds (distance) P-C4' energy: -27.615
flat angles C4'-P-C4' energy: -29.365
flat angles P-C4'-P energy: -21.006
tors. eta vs tors. theta energy: -37.449
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: 7, replica: 4
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -471.286355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.286355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.286355 (E_RNA)
where:
Base-Base interactions energy: -327.131
where: short stacking energy: -142.740
Base-Backbone interact. energy: 0.274
local terms energy: -144.429867
where:
bonds (distance) C4'-P energy: -25.233
bonds (distance) P-C4' energy: -33.826
flat angles C4'-P-C4' energy: -28.423
flat angles P-C4'-P energy: -21.804
tors. eta vs tors. theta energy: -35.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -457.922653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.922653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.922653 (E_RNA)
where:
Base-Base interactions energy: -310.173
where: short stacking energy: -132.466
Base-Backbone interact. energy: -0.169
local terms energy: -147.580849
where:
bonds (distance) C4'-P energy: -29.802
bonds (distance) P-C4' energy: -31.708
flat angles C4'-P-C4' energy: -29.557
flat angles P-C4'-P energy: -20.081
tors. eta vs tors. theta energy: -36.434
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: 9, replica: 9
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -402.665909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.665909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.665909 (E_RNA)
where:
Base-Base interactions energy: -290.339
where: short stacking energy: -123.848
Base-Backbone interact. energy: -0.248
local terms energy: -112.079263
where:
bonds (distance) C4'-P energy: -21.784
bonds (distance) P-C4' energy: -27.595
flat angles C4'-P-C4' energy: -25.186
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -27.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -288.314510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.314510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.314510 (E_RNA)
where:
Base-Base interactions energy: -169.549
where: short stacking energy: -82.059
Base-Backbone interact. energy: -0.228
local terms energy: -118.537805
where:
bonds (distance) C4'-P energy: -33.165
bonds (distance) P-C4' energy: -24.887
flat angles C4'-P-C4' energy: -22.459
flat angles P-C4'-P energy: -23.206
tors. eta vs tors. theta energy: -14.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -575.659290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.659290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.659290 (E_RNA)
where:
Base-Base interactions energy: -402.115
where: short stacking energy: -180.040
Base-Backbone interact. energy: -0.357
local terms energy: -173.187987
where:
bonds (distance) C4'-P energy: -29.693
bonds (distance) P-C4' energy: -33.780
flat angles C4'-P-C4' energy: -37.712
flat angles P-C4'-P energy: -24.596
tors. eta vs tors. theta energy: -47.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -571.126057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.126057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.126057 (E_RNA)
where:
Base-Base interactions energy: -405.548
where: short stacking energy: -169.176
Base-Backbone interact. energy: -1.632
local terms energy: -163.945755
where:
bonds (distance) C4'-P energy: -32.709
bonds (distance) P-C4' energy: -27.570
flat angles C4'-P-C4' energy: -29.418
flat angles P-C4'-P energy: -25.975
tors. eta vs tors. theta energy: -48.274
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: 3, replica: 5
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -558.521248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.521248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.521248 (E_RNA)
where:
Base-Base interactions energy: -381.952
where: short stacking energy: -174.896
Base-Backbone interact. energy: -0.004
local terms energy: -176.565131
where:
bonds (distance) C4'-P energy: -29.711
bonds (distance) P-C4' energy: -37.557
flat angles C4'-P-C4' energy: -37.386
flat angles P-C4'-P energy: -20.891
tors. eta vs tors. theta energy: -51.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -534.396348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.396348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.396348 (E_RNA)
where:
Base-Base interactions energy: -367.262
where: short stacking energy: -164.504
Base-Backbone interact. energy: -0.031
local terms energy: -167.103400
where:
bonds (distance) C4'-P energy: -27.704
bonds (distance) P-C4' energy: -29.375
flat angles C4'-P-C4' energy: -37.800
flat angles P-C4'-P energy: -26.267
tors. eta vs tors. theta energy: -45.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -525.980096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.980096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.980096 (E_RNA)
where:
Base-Base interactions energy: -376.613
where: short stacking energy: -150.280
Base-Backbone interact. energy: -0.788
local terms energy: -148.578845
where:
bonds (distance) C4'-P energy: -26.535
bonds (distance) P-C4' energy: -30.445
flat angles C4'-P-C4' energy: -32.525
flat angles P-C4'-P energy: -22.037
tors. eta vs tors. theta energy: -37.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -469.517754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.517754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.517754 (E_RNA)
where:
Base-Base interactions energy: -336.297
where: short stacking energy: -140.098
Base-Backbone interact. energy: -0.418
local terms energy: -132.802198
where:
bonds (distance) C4'-P energy: -24.752
bonds (distance) P-C4' energy: -28.171
flat angles C4'-P-C4' energy: -34.589
flat angles P-C4'-P energy: -17.765
tors. eta vs tors. theta energy: -27.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -466.041380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.041380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.041380 (E_RNA)
where:
Base-Base interactions energy: -315.762
where: short stacking energy: -149.720
Base-Backbone interact. energy: 0.623
local terms energy: -150.902576
where:
bonds (distance) C4'-P energy: -31.513
bonds (distance) P-C4' energy: -31.131
flat angles C4'-P-C4' energy: -30.692
flat angles P-C4'-P energy: -20.271
tors. eta vs tors. theta energy: -37.295
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: 4
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -466.308906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.308906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.308906 (E_RNA)
where:
Base-Base interactions energy: -325.499
where: short stacking energy: -154.955
Base-Backbone interact. energy: -0.500
local terms energy: -140.309710
where:
bonds (distance) C4'-P energy: -32.481
bonds (distance) P-C4' energy: -24.359
flat angles C4'-P-C4' energy: -32.241
flat angles P-C4'-P energy: -18.891
tors. eta vs tors. theta energy: -32.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -452.526411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.526411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.526411 (E_RNA)
where:
Base-Base interactions energy: -326.386
where: short stacking energy: -140.131
Base-Backbone interact. energy: -0.172
local terms energy: -125.968475
where:
bonds (distance) C4'-P energy: -24.589
bonds (distance) P-C4' energy: -19.564
flat angles C4'-P-C4' energy: -32.241
flat angles P-C4'-P energy: -19.076
tors. eta vs tors. theta energy: -30.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -330.733954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.733954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.733954 (E_RNA)
where:
Base-Base interactions energy: -216.836
where: short stacking energy: -99.001
Base-Backbone interact. energy: -0.607
local terms energy: -113.290050
where:
bonds (distance) C4'-P energy: -24.920
bonds (distance) P-C4' energy: -23.154
flat angles C4'-P-C4' energy: -20.946
flat angles P-C4'-P energy: -21.489
tors. eta vs tors. theta energy: -22.782
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: 2
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -576.380558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.380558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.380558 (E_RNA)
where:
Base-Base interactions energy: -399.746
where: short stacking energy: -187.277
Base-Backbone interact. energy: 0.320
local terms energy: -176.954506
where:
bonds (distance) C4'-P energy: -32.632
bonds (distance) P-C4' energy: -38.953
flat angles C4'-P-C4' energy: -34.667
flat angles P-C4'-P energy: -20.877
tors. eta vs tors. theta energy: -49.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -573.383640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.383640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.383640 (E_RNA)
where:
Base-Base interactions energy: -393.277
where: short stacking energy: -171.212
Base-Backbone interact. energy: -0.056
local terms energy: -180.050444
where:
bonds (distance) C4'-P energy: -35.237
bonds (distance) P-C4' energy: -33.190
flat angles C4'-P-C4' energy: -37.031
flat angles P-C4'-P energy: -25.428
tors. eta vs tors. theta energy: -49.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -552.114133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.114133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.114133 (E_RNA)
where:
Base-Base interactions energy: -389.447
where: short stacking energy: -169.992
Base-Backbone interact. energy: 0.085
local terms energy: -162.751679
where:
bonds (distance) C4'-P energy: -28.658
bonds (distance) P-C4' energy: -31.908
flat angles C4'-P-C4' energy: -34.729
flat angles P-C4'-P energy: -23.808
tors. eta vs tors. theta energy: -43.649
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: 253
Temperature: 1.050000
Total energy: -536.074873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.074873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.074873 (E_RNA)
where:
Base-Base interactions energy: -379.748
where: short stacking energy: -149.225
Base-Backbone interact. energy: -1.078
local terms energy: -155.248243
where:
bonds (distance) C4'-P energy: -29.792
bonds (distance) P-C4' energy: -27.914
flat angles C4'-P-C4' energy: -34.583
flat angles P-C4'-P energy: -25.159
tors. eta vs tors. theta energy: -37.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -524.040225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.040225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.040225 (E_RNA)
where:
Base-Base interactions energy: -358.088
where: short stacking energy: -159.040
Base-Backbone interact. energy: -0.179
local terms energy: -165.773304
where:
bonds (distance) C4'-P energy: -30.018
bonds (distance) P-C4' energy: -33.305
flat angles C4'-P-C4' energy: -31.316
flat angles P-C4'-P energy: -25.194
tors. eta vs tors. theta energy: -45.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -480.753529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.753529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.753529 (E_RNA)
where:
Base-Base interactions energy: -325.037
where: short stacking energy: -159.621
Base-Backbone interact. energy: -0.962
local terms energy: -154.754303
where:
bonds (distance) C4'-P energy: -31.585
bonds (distance) P-C4' energy: -28.564
flat angles C4'-P-C4' energy: -34.868
flat angles P-C4'-P energy: -24.150
tors. eta vs tors. theta energy: -35.588
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: 1
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -463.522851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.522851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.522851 (E_RNA)
where:
Base-Base interactions energy: -312.554
where: short stacking energy: -139.895
Base-Backbone interact. energy: -1.274
local terms energy: -149.694999
where:
bonds (distance) C4'-P energy: -22.406
bonds (distance) P-C4' energy: -34.149
flat angles C4'-P-C4' energy: -35.143
flat angles P-C4'-P energy: -17.044
tors. eta vs tors. theta energy: -40.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -448.592873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.592873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.592873 (E_RNA)
where:
Base-Base interactions energy: -315.971
where: short stacking energy: -143.065
Base-Backbone interact. energy: 0.849
local terms energy: -133.471105
where:
bonds (distance) C4'-P energy: -21.762
bonds (distance) P-C4' energy: -30.302
flat angles C4'-P-C4' energy: -30.549
flat angles P-C4'-P energy: -18.389
tors. eta vs tors. theta energy: -32.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -416.615361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.615361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.615361 (E_RNA)
where:
Base-Base interactions energy: -275.482
where: short stacking energy: -117.646
Base-Backbone interact. energy: -1.970
local terms energy: -139.163017
where:
bonds (distance) C4'-P energy: -35.289
bonds (distance) P-C4' energy: -32.523
flat angles C4'-P-C4' energy: -27.877
flat angles P-C4'-P energy: -18.276
tors. eta vs tors. theta energy: -25.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -315.764858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.764858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.764858 (E_RNA)
where:
Base-Base interactions energy: -211.186
where: short stacking energy: -100.204
Base-Backbone interact. energy: -0.003
local terms energy: -104.576778
where:
bonds (distance) C4'-P energy: -18.535
bonds (distance) P-C4' energy: -25.432
flat angles C4'-P-C4' energy: -20.813
flat angles P-C4'-P energy: -20.517
tors. eta vs tors. theta energy: -19.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -578.889886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.889886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.889886 (E_RNA)
where:
Base-Base interactions energy: -397.307
where: short stacking energy: -168.469
Base-Backbone interact. energy: 0.754
local terms energy: -182.336996
where:
bonds (distance) C4'-P energy: -33.176
bonds (distance) P-C4' energy: -34.608
flat angles C4'-P-C4' energy: -33.492
flat angles P-C4'-P energy: -31.488
tors. eta vs tors. theta energy: -49.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -576.873560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.873560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.873560 (E_RNA)
where:
Base-Base interactions energy: -404.574
where: short stacking energy: -170.652
Base-Backbone interact. energy: -0.890
local terms energy: -171.409961
where:
bonds (distance) C4'-P energy: -27.801
bonds (distance) P-C4' energy: -36.515
flat angles C4'-P-C4' energy: -38.502
flat angles P-C4'-P energy: -22.435
tors. eta vs tors. theta energy: -46.157
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: 7
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -535.832206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.832206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.832206 (E_RNA)
where:
Base-Base interactions energy: -378.469
where: short stacking energy: -144.553
Base-Backbone interact. energy: -0.534
local terms energy: -156.829524
where:
bonds (distance) C4'-P energy: -33.631
bonds (distance) P-C4' energy: -24.364
flat angles C4'-P-C4' energy: -38.787
flat angles P-C4'-P energy: -23.984
tors. eta vs tors. theta energy: -36.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -531.365557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.365557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.365557 (E_RNA)
where:
Base-Base interactions energy: -373.912
where: short stacking energy: -151.866
Base-Backbone interact. energy: -0.601
local terms energy: -156.852762
where:
bonds (distance) C4'-P energy: -27.504
bonds (distance) P-C4' energy: -33.571
flat angles C4'-P-C4' energy: -33.046
flat angles P-C4'-P energy: -23.655
tors. eta vs tors. theta energy: -39.077
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: 6
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -521.537293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.537293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.537293 (E_RNA)
where:
Base-Base interactions energy: -363.031
where: short stacking energy: -163.148
Base-Backbone interact. energy: -0.039
local terms energy: -158.467201
where:
bonds (distance) C4'-P energy: -25.724
bonds (distance) P-C4' energy: -26.323
flat angles C4'-P-C4' energy: -35.822
flat angles P-C4'-P energy: -23.881
tors. eta vs tors. theta energy: -46.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -472.110065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.110065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.110065 (E_RNA)
where:
Base-Base interactions energy: -324.061
where: short stacking energy: -140.898
Base-Backbone interact. energy: -0.363
local terms energy: -147.686179
where:
bonds (distance) C4'-P energy: -31.450
bonds (distance) P-C4' energy: -23.899
flat angles C4'-P-C4' energy: -34.102
flat angles P-C4'-P energy: -21.649
tors. eta vs tors. theta energy: -36.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -468.425787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.425787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.425787 (E_RNA)
where:
Base-Base interactions energy: -322.541
where: short stacking energy: -136.365
Base-Backbone interact. energy: -0.105
local terms energy: -145.779385
where:
bonds (distance) C4'-P energy: -29.911
bonds (distance) P-C4' energy: -28.455
flat angles C4'-P-C4' energy: -35.107
flat angles P-C4'-P energy: -18.409
tors. eta vs tors. theta energy: -33.897
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: 1
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -463.715180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.715180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.715180 (E_RNA)
where:
Base-Base interactions energy: -318.895
where: short stacking energy: -131.490
Base-Backbone interact. energy: -1.516
local terms energy: -143.303942
where:
bonds (distance) C4'-P energy: -29.080
bonds (distance) P-C4' energy: -30.021
flat angles C4'-P-C4' energy: -35.046
flat angles P-C4'-P energy: -14.379
tors. eta vs tors. theta energy: -34.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -328.846210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.846210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.846210 (E_RNA)
where:
Base-Base interactions energy: -216.678
where: short stacking energy: -96.513
Base-Backbone interact. energy: -0.858
local terms energy: -111.309668
where:
bonds (distance) C4'-P energy: -24.606
bonds (distance) P-C4' energy: -27.539
flat angles C4'-P-C4' energy: -28.641
flat angles P-C4'-P energy: -14.403
tors. eta vs tors. theta energy: -16.121
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: 254
Temperature: 1.350000
Total energy: -327.552493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.552493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.552493 (E_RNA)
where:
Base-Base interactions energy: -216.823
where: short stacking energy: -106.665
Base-Backbone interact. energy: -0.168
local terms energy: -110.560786
where:
bonds (distance) C4'-P energy: -25.072
bonds (distance) P-C4' energy: -24.418
flat angles C4'-P-C4' energy: -21.866
flat angles P-C4'-P energy: -14.800
tors. eta vs tors. theta energy: -24.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -583.930137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.930137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.930137 (E_RNA)
where:
Base-Base interactions energy: -406.506
where: short stacking energy: -179.337
Base-Backbone interact. energy: -1.966
local terms energy: -175.458590
where:
bonds (distance) C4'-P energy: -31.918
bonds (distance) P-C4' energy: -31.234
flat angles C4'-P-C4' energy: -36.853
flat angles P-C4'-P energy: -24.285
tors. eta vs tors. theta energy: -51.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -567.401469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.401469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.401469 (E_RNA)
where:
Base-Base interactions energy: -393.964
where: short stacking energy: -171.000
Base-Backbone interact. energy: -0.254
local terms energy: -173.182574
where:
bonds (distance) C4'-P energy: -29.622
bonds (distance) P-C4' energy: -38.548
flat angles C4'-P-C4' energy: -37.493
flat angles P-C4'-P energy: -24.328
tors. eta vs tors. theta energy: -43.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -550.554016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.554016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.554016 (E_RNA)
where:
Base-Base interactions energy: -392.039
where: short stacking energy: -158.264
Base-Backbone interact. energy: -1.175
local terms energy: -157.340468
where:
bonds (distance) C4'-P energy: -34.258
bonds (distance) P-C4' energy: -25.364
flat angles C4'-P-C4' energy: -30.478
flat angles P-C4'-P energy: -25.784
tors. eta vs tors. theta energy: -41.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -523.785834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.785834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.785834 (E_RNA)
where:
Base-Base interactions energy: -361.610
where: short stacking energy: -173.038
Base-Backbone interact. energy: -0.019
local terms energy: -162.156480
where:
bonds (distance) C4'-P energy: -22.088
bonds (distance) P-C4' energy: -34.482
flat angles C4'-P-C4' energy: -39.592
flat angles P-C4'-P energy: -18.921
tors. eta vs tors. theta energy: -47.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -529.532657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.532657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.532657 (E_RNA)
where:
Base-Base interactions energy: -373.624
where: short stacking energy: -162.847
Base-Backbone interact. energy: -0.366
local terms energy: -155.543436
where:
bonds (distance) C4'-P energy: -26.453
bonds (distance) P-C4' energy: -30.072
flat angles C4'-P-C4' energy: -31.783
flat angles P-C4'-P energy: -26.623
tors. eta vs tors. theta energy: -40.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -462.617975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.617975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.617975 (E_RNA)
where:
Base-Base interactions energy: -326.932
where: short stacking energy: -133.843
Base-Backbone interact. energy: -1.231
local terms energy: -134.455328
where:
bonds (distance) C4'-P energy: -23.834
bonds (distance) P-C4' energy: -34.368
flat angles C4'-P-C4' energy: -34.867
flat angles P-C4'-P energy: -16.626
tors. eta vs tors. theta energy: -24.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -455.188038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.188038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.188038 (E_RNA)
where:
Base-Base interactions energy: -319.866
where: short stacking energy: -136.570
Base-Backbone interact. energy: 0.454
local terms energy: -135.776203
where:
bonds (distance) C4'-P energy: -31.367
bonds (distance) P-C4' energy: -24.275
flat angles C4'-P-C4' energy: -25.896
flat angles P-C4'-P energy: -21.014
tors. eta vs tors. theta energy: -33.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -434.831837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.831837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.831837 (E_RNA)
where:
Base-Base interactions energy: -302.082
where: short stacking energy: -128.487
Base-Backbone interact. energy: 0.261
local terms energy: -133.010965
where:
bonds (distance) C4'-P energy: -26.881
bonds (distance) P-C4' energy: -26.563
flat angles C4'-P-C4' energy: -30.781
flat angles P-C4'-P energy: -18.352
tors. eta vs tors. theta energy: -30.434
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: 9, replica: 3
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -280.664160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.664160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.664160 (E_RNA)
where:
Base-Base interactions energy: -172.054
where: short stacking energy: -83.033
Base-Backbone interact. energy: 1.110
local terms energy: -109.720461
where:
bonds (distance) C4'-P energy: -26.021
bonds (distance) P-C4' energy: -28.898
flat angles C4'-P-C4' energy: -26.154
flat angles P-C4'-P energy: -18.522
tors. eta vs tors. theta energy: -10.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -330.417887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.417887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.417887 (E_RNA)
where:
Base-Base interactions energy: -220.412
where: short stacking energy: -77.233
Base-Backbone interact. energy: 0.504
local terms energy: -110.509856
where:
bonds (distance) C4'-P energy: -31.719
bonds (distance) P-C4' energy: -23.840
flat angles C4'-P-C4' energy: -29.255
flat angles P-C4'-P energy: -16.721
tors. eta vs tors. theta energy: -8.976
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: 8
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -579.859130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.859130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.859130 (E_RNA)
where:
Base-Base interactions energy: -405.617
where: short stacking energy: -177.665
Base-Backbone interact. energy: -0.574
local terms energy: -173.668531
where:
bonds (distance) C4'-P energy: -27.497
bonds (distance) P-C4' energy: -33.264
flat angles C4'-P-C4' energy: -36.407
flat angles P-C4'-P energy: -23.422
tors. eta vs tors. theta energy: -53.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -583.961896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.961896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.961896 (E_RNA)
where:
Base-Base interactions energy: -401.973
where: short stacking energy: -174.168
Base-Backbone interact. energy: -0.033
local terms energy: -181.956271
where:
bonds (distance) C4'-P energy: -33.888
bonds (distance) P-C4' energy: -35.772
flat angles C4'-P-C4' energy: -37.396
flat angles P-C4'-P energy: -25.331
tors. eta vs tors. theta energy: -49.569
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: 6
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -542.554417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.554417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.554417 (E_RNA)
where:
Base-Base interactions energy: -360.151
where: short stacking energy: -175.843
Base-Backbone interact. energy: -0.469
local terms energy: -181.934728
where:
bonds (distance) C4'-P energy: -35.335
bonds (distance) P-C4' energy: -29.427
flat angles C4'-P-C4' energy: -41.890
flat angles P-C4'-P energy: -25.126
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: 4, replica: 7
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -556.027789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.027789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.027789 (E_RNA)
where:
Base-Base interactions energy: -399.732
where: short stacking energy: -162.712
Base-Backbone interact. energy: -0.112
local terms energy: -156.184299
where:
bonds (distance) C4'-P energy: -26.811
bonds (distance) P-C4' energy: -26.990
flat angles C4'-P-C4' energy: -33.789
flat angles P-C4'-P energy: -22.257
tors. eta vs tors. theta energy: -46.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -535.118065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.118065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.118065 (E_RNA)
where:
Base-Base interactions energy: -376.430
where: short stacking energy: -163.332
Base-Backbone interact. energy: -0.228
local terms energy: -158.460894
where:
bonds (distance) C4'-P energy: -28.430
bonds (distance) P-C4' energy: -31.053
flat angles C4'-P-C4' energy: -26.950
flat angles P-C4'-P energy: -25.399
tors. eta vs tors. theta energy: -46.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -483.221905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.221905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.221905 (E_RNA)
where:
Base-Base interactions energy: -339.137
where: short stacking energy: -158.574
Base-Backbone interact. energy: 2.589
local terms energy: -146.674312
where:
bonds (distance) C4'-P energy: -26.871
bonds (distance) P-C4' energy: -30.975
flat angles C4'-P-C4' energy: -24.330
flat angles P-C4'-P energy: -22.526
tors. eta vs tors. theta energy: -41.972
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: 7, replica: 1
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -437.688115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.688115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.688115 (E_RNA)
where:
Base-Base interactions energy: -293.911
where: short stacking energy: -139.720
Base-Backbone interact. energy: -0.333
local terms energy: -143.443831
where:
bonds (distance) C4'-P energy: -25.102
bonds (distance) P-C4' energy: -26.646
flat angles C4'-P-C4' energy: -28.523
flat angles P-C4'-P energy: -26.018
tors. eta vs tors. theta energy: -37.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -435.002260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.002260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.002260 (E_RNA)
where:
Base-Base interactions energy: -295.698
where: short stacking energy: -127.562
Base-Backbone interact. energy: -0.381
local terms energy: -138.923517
where:
bonds (distance) C4'-P energy: -31.289
bonds (distance) P-C4' energy: -34.165
flat angles C4'-P-C4' energy: -30.727
flat angles P-C4'-P energy: -14.254
tors. eta vs tors. theta energy: -28.489
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: 256
Temperature: 1.300000
Total energy: -347.622960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.622960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.622960 (E_RNA)
where:
Base-Base interactions energy: -232.147
where: short stacking energy: -101.718
Base-Backbone interact. energy: 1.448
local terms energy: -116.923589
where:
bonds (distance) C4'-P energy: -30.855
bonds (distance) P-C4' energy: -28.740
flat angles C4'-P-C4' energy: -23.629
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -23.579
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: 3
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -294.336134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.336134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.336134 (E_RNA)
where:
Base-Base interactions energy: -178.171
where: short stacking energy: -82.166
Base-Backbone interact. energy: -0.474
local terms energy: -115.691403
where:
bonds (distance) C4'-P energy: -26.581
bonds (distance) P-C4' energy: -24.264
flat angles C4'-P-C4' energy: -30.863
flat angles P-C4'-P energy: -16.982
tors. eta vs tors. theta energy: -17.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -587.993361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.993361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.993361 (E_RNA)
where:
Base-Base interactions energy: -407.162
where: short stacking energy: -168.331
Base-Backbone interact. energy: -0.346
local terms energy: -180.484710
where:
bonds (distance) C4'-P energy: -32.332
bonds (distance) P-C4' energy: -36.126
flat angles C4'-P-C4' energy: -37.300
flat angles P-C4'-P energy: -23.265
tors. eta vs tors. theta energy: -51.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -570.113788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.113788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.113788 (E_RNA)
where:
Base-Base interactions energy: -396.824
where: short stacking energy: -184.120
Base-Backbone interact. energy: -0.033
local terms energy: -173.256960
where:
bonds (distance) C4'-P energy: -32.122
bonds (distance) P-C4' energy: -31.265
flat angles C4'-P-C4' energy: -34.746
flat angles P-C4'-P energy: -23.804
tors. eta vs tors. theta energy: -51.320
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: 6
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -554.262823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.262823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.262823 (E_RNA)
where:
Base-Base interactions energy: -376.712
where: short stacking energy: -172.936
Base-Backbone interact. energy: -0.218
local terms energy: -177.332692
where:
bonds (distance) C4'-P energy: -36.696
bonds (distance) P-C4' energy: -30.642
flat angles C4'-P-C4' energy: -36.055
flat angles P-C4'-P energy: -25.540
tors. eta vs tors. theta energy: -48.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -553.259293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.259293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.259293 (E_RNA)
where:
Base-Base interactions energy: -387.177
where: short stacking energy: -161.428
Base-Backbone interact. energy: -1.011
local terms energy: -165.071863
where:
bonds (distance) C4'-P energy: -28.807
bonds (distance) P-C4' energy: -34.030
flat angles C4'-P-C4' energy: -31.412
flat angles P-C4'-P energy: -28.371
tors. eta vs tors. theta energy: -42.453
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: 7
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -533.700489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.700489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.700489 (E_RNA)
where:
Base-Base interactions energy: -385.011
where: short stacking energy: -177.899
Base-Backbone interact. energy: -1.036
local terms energy: -147.653445
where:
bonds (distance) C4'-P energy: -27.534
bonds (distance) P-C4' energy: -30.014
flat angles C4'-P-C4' energy: -31.300
flat angles P-C4'-P energy: -17.248
tors. eta vs tors. theta energy: -41.558
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: 6, replica: 1
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -474.561631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.561631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.561631 (E_RNA)
where:
Base-Base interactions energy: -329.297
where: short stacking energy: -149.265
Base-Backbone interact. energy: -1.259
local terms energy: -144.004887
where:
bonds (distance) C4'-P energy: -28.256
bonds (distance) P-C4' energy: -26.608
flat angles C4'-P-C4' energy: -28.892
flat angles P-C4'-P energy: -21.693
tors. eta vs tors. theta energy: -38.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -467.907412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.907412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.907412 (E_RNA)
where:
Base-Base interactions energy: -323.389
where: short stacking energy: -161.058
Base-Backbone interact. energy: -0.159
local terms energy: -144.359724
where:
bonds (distance) C4'-P energy: -21.176
bonds (distance) P-C4' energy: -28.963
flat angles C4'-P-C4' energy: -30.681
flat angles P-C4'-P energy: -22.255
tors. eta vs tors. theta energy: -41.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -385.851753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.851753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.851753 (E_RNA)
where:
Base-Base interactions energy: -249.066
where: short stacking energy: -108.149
Base-Backbone interact. energy: -0.577
local terms energy: -136.209553
where:
bonds (distance) C4'-P energy: -34.200
bonds (distance) P-C4' energy: -23.200
flat angles C4'-P-C4' energy: -27.309
flat angles P-C4'-P energy: -24.222
tors. eta vs tors. theta energy: -27.279
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: 10
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -335.803331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.803331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.803331 (E_RNA)
where:
Base-Base interactions energy: -221.357
where: short stacking energy: -107.821
Base-Backbone interact. energy: 2.085
local terms energy: -116.531606
where:
bonds (distance) C4'-P energy: -28.946
bonds (distance) P-C4' energy: -23.739
flat angles C4'-P-C4' energy: -22.716
flat angles P-C4'-P energy: -17.876
tors. eta vs tors. theta energy: -23.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -303.898949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.898949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.898949 (E_RNA)
where:
Base-Base interactions energy: -184.243
where: short stacking energy: -86.923
Base-Backbone interact. energy: -0.087
local terms energy: -119.569006
where:
bonds (distance) C4'-P energy: -23.462
bonds (distance) P-C4' energy: -31.453
flat angles C4'-P-C4' energy: -30.765
flat angles P-C4'-P energy: -17.573
tors. eta vs tors. theta energy: -16.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -582.157736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.157736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.157736 (E_RNA)
where:
Base-Base interactions energy: -410.084
where: short stacking energy: -173.971
Base-Backbone interact. energy: -0.553
local terms energy: -171.520150
where:
bonds (distance) C4'-P energy: -30.603
bonds (distance) P-C4' energy: -36.678
flat angles C4'-P-C4' energy: -33.913
flat angles P-C4'-P energy: -19.322
tors. eta vs tors. theta energy: -51.004
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: 2
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -570.095534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.095534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.095534 (E_RNA)
where:
Base-Base interactions energy: -395.701
where: short stacking energy: -174.635
Base-Backbone interact. energy: -0.648
local terms energy: -173.747084
where:
bonds (distance) C4'-P energy: -31.021
bonds (distance) P-C4' energy: -37.706
flat angles C4'-P-C4' energy: -38.306
flat angles P-C4'-P energy: -19.045
tors. eta vs tors. theta energy: -47.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -535.626871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.626871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.626871 (E_RNA)
where:
Base-Base interactions energy: -363.655
where: short stacking energy: -164.884
Base-Backbone interact. energy: -0.695
local terms energy: -171.277004
where:
bonds (distance) C4'-P energy: -27.276
bonds (distance) P-C4' energy: -33.658
flat angles C4'-P-C4' energy: -37.060
flat angles P-C4'-P energy: -23.036
tors. eta vs tors. theta energy: -50.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -538.046196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.046196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.046196 (E_RNA)
where:
Base-Base interactions energy: -376.150
where: short stacking energy: -166.984
Base-Backbone interact. energy: -0.519
local terms energy: -161.377287
where:
bonds (distance) C4'-P energy: -29.154
bonds (distance) P-C4' energy: -33.730
flat angles C4'-P-C4' energy: -35.428
flat angles P-C4'-P energy: -24.710
tors. eta vs tors. theta energy: -38.356
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: 7
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -512.882039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.882039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.882039 (E_RNA)
where:
Base-Base interactions energy: -345.800
where: short stacking energy: -145.347
Base-Backbone interact. energy: -2.000
local terms energy: -165.081667
where:
bonds (distance) C4'-P energy: -29.352
bonds (distance) P-C4' energy: -33.675
flat angles C4'-P-C4' energy: -35.757
flat angles P-C4'-P energy: -25.934
tors. eta vs tors. theta energy: -40.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -472.975186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.975186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.975186 (E_RNA)
where:
Base-Base interactions energy: -329.995
where: short stacking energy: -150.433
Base-Backbone interact. energy: -0.755
local terms energy: -142.224776
where:
bonds (distance) C4'-P energy: -20.178
bonds (distance) P-C4' energy: -34.838
flat angles C4'-P-C4' energy: -28.929
flat angles P-C4'-P energy: -18.894
tors. eta vs tors. theta energy: -39.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -456.910431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.910431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.910431 (E_RNA)
where:
Base-Base interactions energy: -314.150
where: short stacking energy: -150.951
Base-Backbone interact. energy: -2.027
local terms energy: -140.733315
where:
bonds (distance) C4'-P energy: -27.944
bonds (distance) P-C4' energy: -21.809
flat angles C4'-P-C4' energy: -29.415
flat angles P-C4'-P energy: -24.541
tors. eta vs tors. theta energy: -37.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -456.529739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.529739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.529739 (E_RNA)
where:
Base-Base interactions energy: -321.725
where: short stacking energy: -151.669
Base-Backbone interact. energy: -0.843
local terms energy: -133.962340
where:
bonds (distance) C4'-P energy: -27.609
bonds (distance) P-C4' energy: -26.137
flat angles C4'-P-C4' energy: -23.328
flat angles P-C4'-P energy: -17.180
tors. eta vs tors. theta energy: -39.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -334.892633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.892633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.892633 (E_RNA)
where:
Base-Base interactions energy: -220.323
where: short stacking energy: -109.280
Base-Backbone interact. energy: -0.284
local terms energy: -114.286193
where:
bonds (distance) C4'-P energy: -21.157
bonds (distance) P-C4' energy: -24.487
flat angles C4'-P-C4' energy: -31.135
flat angles P-C4'-P energy: -17.874
tors. eta vs tors. theta energy: -19.633
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: 258
Temperature: 1.350000
Total energy: -340.262823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.262823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.262823 (E_RNA)
where:
Base-Base interactions energy: -213.477
where: short stacking energy: -113.913
Base-Backbone interact. energy: -0.034
local terms energy: -126.751863
where:
bonds (distance) C4'-P energy: -33.311
bonds (distance) P-C4' energy: -22.737
flat angles C4'-P-C4' energy: -27.178
flat angles P-C4'-P energy: -19.397
tors. eta vs tors. theta energy: -24.129
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: 1, replica: 8
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -584.519227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.519227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.519227 (E_RNA)
where:
Base-Base interactions energy: -402.899
where: short stacking energy: -174.562
Base-Backbone interact. energy: -0.259
local terms energy: -181.360601
where:
bonds (distance) C4'-P energy: -36.596
bonds (distance) P-C4' energy: -31.542
flat angles C4'-P-C4' energy: -38.908
flat angles P-C4'-P energy: -24.464
tors. eta vs tors. theta energy: -49.851
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: 2, replica: 2
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -564.647327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.647327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.647327 (E_RNA)
where:
Base-Base interactions energy: -400.740
where: short stacking energy: -174.875
Base-Backbone interact. energy: -0.205
local terms energy: -163.702710
where:
bonds (distance) C4'-P energy: -30.390
bonds (distance) P-C4' energy: -28.269
flat angles C4'-P-C4' energy: -33.331
flat angles P-C4'-P energy: -23.278
tors. eta vs tors. theta energy: -48.435
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: 3, replica: 6
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -555.394285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.394285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.394285 (E_RNA)
where:
Base-Base interactions energy: -387.159
where: short stacking energy: -169.994
Base-Backbone interact. energy: -0.329
local terms energy: -167.907007
where:
bonds (distance) C4'-P energy: -25.420
bonds (distance) P-C4' energy: -36.329
flat angles C4'-P-C4' energy: -32.619
flat angles P-C4'-P energy: -22.757
tors. eta vs tors. theta energy: -50.782
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: 7
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -533.733050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.733050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.733050 (E_RNA)
where:
Base-Base interactions energy: -383.110
where: short stacking energy: -158.074
Base-Backbone interact. energy: -0.858
local terms energy: -149.765475
where:
bonds (distance) C4'-P energy: -32.093
bonds (distance) P-C4' energy: -27.971
flat angles C4'-P-C4' energy: -32.857
flat angles P-C4'-P energy: -21.078
tors. eta vs tors. theta energy: -35.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -543.293131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.293131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.293131 (E_RNA)
where:
Base-Base interactions energy: -377.905
where: short stacking energy: -166.682
Base-Backbone interact. energy: -0.037
local terms energy: -165.350715
where:
bonds (distance) C4'-P energy: -32.222
bonds (distance) P-C4' energy: -34.465
flat angles C4'-P-C4' energy: -38.683
flat angles P-C4'-P energy: -16.486
tors. eta vs tors. theta energy: -43.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -512.935092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.935092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.935092 (E_RNA)
where:
Base-Base interactions energy: -364.007
where: short stacking energy: -152.711
Base-Backbone interact. energy: -1.582
local terms energy: -147.346647
where:
bonds (distance) C4'-P energy: -25.133
bonds (distance) P-C4' energy: -25.426
flat angles C4'-P-C4' energy: -35.501
flat angles P-C4'-P energy: -20.729
tors. eta vs tors. theta energy: -40.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -410.583398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.583398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.583398 (E_RNA)
where:
Base-Base interactions energy: -276.959
where: short stacking energy: -127.255
Base-Backbone interact. energy: -0.018
local terms energy: -133.606904
where:
bonds (distance) C4'-P energy: -30.558
bonds (distance) P-C4' energy: -29.410
flat angles C4'-P-C4' energy: -26.320
flat angles P-C4'-P energy: -19.307
tors. eta vs tors. theta energy: -28.011
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: 8, replica: 4
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -459.839869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.839869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.839869 (E_RNA)
where:
Base-Base interactions energy: -315.170
where: short stacking energy: -148.989
Base-Backbone interact. energy: 0.205
local terms energy: -144.875527
where:
bonds (distance) C4'-P energy: -31.946
bonds (distance) P-C4' energy: -32.113
flat angles C4'-P-C4' energy: -24.915
flat angles P-C4'-P energy: -20.661
tors. eta vs tors. theta energy: -35.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -363.822345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.822345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.822345 (E_RNA)
where:
Base-Base interactions energy: -238.023
where: short stacking energy: -127.573
Base-Backbone interact. energy: -0.693
local terms energy: -125.106873
where:
bonds (distance) C4'-P energy: -17.893
bonds (distance) P-C4' energy: -30.682
flat angles C4'-P-C4' energy: -35.260
flat angles P-C4'-P energy: -14.252
tors. eta vs tors. theta energy: -27.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -343.429455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.429455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.429455 (E_RNA)
where:
Base-Base interactions energy: -221.653
where: short stacking energy: -102.906
Base-Backbone interact. energy: -0.394
local terms energy: -121.381585
where:
bonds (distance) C4'-P energy: -24.140
bonds (distance) P-C4' energy: -25.113
flat angles C4'-P-C4' energy: -25.105
flat angles P-C4'-P energy: -23.846
tors. eta vs tors. theta energy: -23.178
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: 2
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -574.576242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.576242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.576242 (E_RNA)
where:
Base-Base interactions energy: -402.979
where: short stacking energy: -175.069
Base-Backbone interact. energy: 0.170
local terms energy: -171.767193
where:
bonds (distance) C4'-P energy: -31.271
bonds (distance) P-C4' energy: -29.011
flat angles C4'-P-C4' energy: -31.301
flat angles P-C4'-P energy: -29.054
tors. eta vs tors. theta energy: -51.130
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: 8
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -574.822851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.822851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.822851 (E_RNA)
where:
Base-Base interactions energy: -394.265
where: short stacking energy: -170.063
Base-Backbone interact. energy: -0.784
local terms energy: -179.773141
where:
bonds (distance) C4'-P energy: -33.032
bonds (distance) P-C4' energy: -34.517
flat angles C4'-P-C4' energy: -34.139
flat angles P-C4'-P energy: -26.347
tors. eta vs tors. theta energy: -51.737
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: 7
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -531.213418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.213418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.213418 (E_RNA)
where:
Base-Base interactions energy: -373.004
where: short stacking energy: -156.690
Base-Backbone interact. energy: -0.272
local terms energy: -157.937760
where:
bonds (distance) C4'-P energy: -29.506
bonds (distance) P-C4' energy: -27.549
flat angles C4'-P-C4' energy: -38.455
flat angles P-C4'-P energy: -22.006
tors. eta vs tors. theta energy: -40.422
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: 6
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -545.557651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.557651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.557651 (E_RNA)
where:
Base-Base interactions energy: -374.366
where: short stacking energy: -183.366
Base-Backbone interact. energy: -0.461
local terms energy: -170.730765
where:
bonds (distance) C4'-P energy: -27.489
bonds (distance) P-C4' energy: -25.907
flat angles C4'-P-C4' energy: -36.898
flat angles P-C4'-P energy: -24.340
tors. eta vs tors. theta energy: -56.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -513.773870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.773870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.773870 (E_RNA)
where:
Base-Base interactions energy: -363.624
where: short stacking energy: -143.524
Base-Backbone interact. energy: -0.860
local terms energy: -149.290141
where:
bonds (distance) C4'-P energy: -28.156
bonds (distance) P-C4' energy: -29.348
flat angles C4'-P-C4' energy: -30.395
flat angles P-C4'-P energy: -22.041
tors. eta vs tors. theta energy: -39.350
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: 260
Temperature: 1.150000
Total energy: -525.243095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.243095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.243095 (E_RNA)
where:
Base-Base interactions energy: -378.086
where: short stacking energy: -161.180
Base-Backbone interact. energy: -0.159
local terms energy: -146.998517
where:
bonds (distance) C4'-P energy: -27.932
bonds (distance) P-C4' energy: -23.323
flat angles C4'-P-C4' energy: -32.163
flat angles P-C4'-P energy: -24.244
tors. eta vs tors. theta energy: -39.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -431.985398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.985398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.985398 (E_RNA)
where:
Base-Base interactions energy: -300.960
where: short stacking energy: -144.143
Base-Backbone interact. energy: 1.852
local terms energy: -132.877482
where:
bonds (distance) C4'-P energy: -22.300
bonds (distance) P-C4' energy: -26.385
flat angles C4'-P-C4' energy: -28.053
flat angles P-C4'-P energy: -20.059
tors. eta vs tors. theta energy: -36.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -413.216691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.216691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.216691 (E_RNA)
where:
Base-Base interactions energy: -269.322
where: short stacking energy: -131.795
Base-Backbone interact. energy: -0.064
local terms energy: -143.830351
where:
bonds (distance) C4'-P energy: -31.431
bonds (distance) P-C4' energy: -28.122
flat angles C4'-P-C4' energy: -35.958
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -34.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -380.311485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.311485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.311485 (E_RNA)
where:
Base-Base interactions energy: -242.117
where: short stacking energy: -112.753
Base-Backbone interact. energy: -0.318
local terms energy: -137.876654
where:
bonds (distance) C4'-P energy: -27.884
bonds (distance) P-C4' energy: -31.023
flat angles C4'-P-C4' energy: -29.318
flat angles P-C4'-P energy: -20.745
tors. eta vs tors. theta energy: -28.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -325.984925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.984925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.984925 (E_RNA)
where:
Base-Base interactions energy: -212.486
where: short stacking energy: -94.790
Base-Backbone interact. energy: 0.892
local terms energy: -114.391520
where:
bonds (distance) C4'-P energy: -23.959
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -28.043
flat angles P-C4'-P energy: -20.683
tors. eta vs tors. theta energy: -23.204
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: 2
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -588.588321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.588321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.588321 (E_RNA)
where:
Base-Base interactions energy: -408.305
where: short stacking energy: -186.976
Base-Backbone interact. energy: -0.010
local terms energy: -180.272867
where:
bonds (distance) C4'-P energy: -36.655
bonds (distance) P-C4' energy: -29.140
flat angles C4'-P-C4' energy: -35.474
flat angles P-C4'-P energy: -27.337
tors. eta vs tors. theta energy: -51.668
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: 8
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -573.755804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.755804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.755804 (E_RNA)
where:
Base-Base interactions energy: -407.280
where: short stacking energy: -180.435
Base-Backbone interact. energy: -0.187
local terms energy: -166.288813
where:
bonds (distance) C4'-P energy: -27.311
bonds (distance) P-C4' energy: -33.060
flat angles C4'-P-C4' energy: -33.008
flat angles P-C4'-P energy: -17.433
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: 3, replica: 7
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -561.613175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.613175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.613175 (E_RNA)
where:
Base-Base interactions energy: -395.536
where: short stacking energy: -163.183
Base-Backbone interact. energy: -0.158
local terms energy: -165.918657
where:
bonds (distance) C4'-P energy: -34.088
bonds (distance) P-C4' energy: -27.732
flat angles C4'-P-C4' energy: -35.055
flat angles P-C4'-P energy: -22.002
tors. eta vs tors. theta energy: -47.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -532.820121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.820121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.820121 (E_RNA)
where:
Base-Base interactions energy: -370.377
where: short stacking energy: -177.273
Base-Backbone interact. energy: -0.337
local terms energy: -162.105908
where:
bonds (distance) C4'-P energy: -28.570
bonds (distance) P-C4' energy: -26.600
flat angles C4'-P-C4' energy: -28.840
flat angles P-C4'-P energy: -27.909
tors. eta vs tors. theta energy: -50.187
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: 5, replica: 9
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -536.176816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.176816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.176816 (E_RNA)
where:
Base-Base interactions energy: -386.068
where: short stacking energy: -161.575
Base-Backbone interact. energy: -0.129
local terms energy: -149.979306
where:
bonds (distance) C4'-P energy: -30.355
bonds (distance) P-C4' energy: -30.075
flat angles C4'-P-C4' energy: -25.144
flat angles P-C4'-P energy: -20.725
tors. eta vs tors. theta energy: -43.681
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: 5
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -520.730832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.730832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.730832 (E_RNA)
where:
Base-Base interactions energy: -367.869
where: short stacking energy: -159.727
Base-Backbone interact. energy: -0.328
local terms energy: -152.534629
where:
bonds (distance) C4'-P energy: -24.397
bonds (distance) P-C4' energy: -30.733
flat angles C4'-P-C4' energy: -31.475
flat angles P-C4'-P energy: -24.300
tors. eta vs tors. theta energy: -41.629
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: 4
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -446.766071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.766071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.766071 (E_RNA)
where:
Base-Base interactions energy: -304.698
where: short stacking energy: -131.891
Base-Backbone interact. energy: -0.462
local terms energy: -141.606710
where:
bonds (distance) C4'-P energy: -28.106
bonds (distance) P-C4' energy: -29.973
flat angles C4'-P-C4' energy: -33.300
flat angles P-C4'-P energy: -19.975
tors. eta vs tors. theta energy: -30.253
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: 1
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -368.999135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.999135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.999135 (E_RNA)
where:
Base-Base interactions energy: -237.770
where: short stacking energy: -113.328
Base-Backbone interact. energy: -1.157
local terms energy: -130.072898
where:
bonds (distance) C4'-P energy: -27.718
bonds (distance) P-C4' energy: -19.127
flat angles C4'-P-C4' energy: -30.343
flat angles P-C4'-P energy: -26.301
tors. eta vs tors. theta energy: -26.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -352.399145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.399145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.399145 (E_RNA)
where:
Base-Base interactions energy: -239.770
where: short stacking energy: -113.040
Base-Backbone interact. energy: -0.750
local terms energy: -111.879824
where:
bonds (distance) C4'-P energy: -17.906
bonds (distance) P-C4' energy: -29.767
flat angles C4'-P-C4' energy: -25.348
flat angles P-C4'-P energy: -14.074
tors. eta vs tors. theta energy: -24.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -374.518213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.518213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.518213 (E_RNA)
where:
Base-Base interactions energy: -255.126
where: short stacking energy: -111.949
Base-Backbone interact. energy: -0.116
local terms energy: -119.276042
where:
bonds (distance) C4'-P energy: -25.718
bonds (distance) P-C4' energy: -21.524
flat angles C4'-P-C4' energy: -28.008
flat angles P-C4'-P energy: -18.576
tors. eta vs tors. theta energy: -25.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -596.111316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.111316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.111316 (E_RNA)
where:
Base-Base interactions energy: -416.068
where: short stacking energy: -186.042
Base-Backbone interact. energy: -0.788
local terms energy: -179.255112
where:
bonds (distance) C4'-P energy: -31.141
bonds (distance) P-C4' energy: -29.955
flat angles C4'-P-C4' energy: -35.758
flat angles P-C4'-P energy: -27.772
tors. eta vs tors. theta energy: -54.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -567.217439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.217439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.217439 (E_RNA)
where:
Base-Base interactions energy: -396.559
where: short stacking energy: -183.700
Base-Backbone interact. energy: -0.598
local terms energy: -170.060716
where:
bonds (distance) C4'-P energy: -29.057
bonds (distance) P-C4' energy: -30.372
flat angles C4'-P-C4' energy: -33.881
flat angles P-C4'-P energy: -26.976
tors. eta vs tors. theta energy: -49.775
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: 7
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -568.047188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.047188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.047188 (E_RNA)
where:
Base-Base interactions energy: -400.694
where: short stacking energy: -173.699
Base-Backbone interact. energy: -1.721
local terms energy: -165.632182
where:
bonds (distance) C4'-P energy: -26.522
bonds (distance) P-C4' energy: -33.445
flat angles C4'-P-C4' energy: -30.810
flat angles P-C4'-P energy: -25.586
tors. eta vs tors. theta energy: -49.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -542.130395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.130395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.130395 (E_RNA)
where:
Base-Base interactions energy: -381.098
where: short stacking energy: -185.916
Base-Backbone interact. energy: -0.257
local terms energy: -160.775605
where:
bonds (distance) C4'-P energy: -27.476
bonds (distance) P-C4' energy: -25.040
flat angles C4'-P-C4' energy: -37.073
flat angles P-C4'-P energy: -21.707
tors. eta vs tors. theta energy: -49.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -541.564569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.564569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.564569 (E_RNA)
where:
Base-Base interactions energy: -379.401
where: short stacking energy: -154.713
Base-Backbone interact. energy: -0.099
local terms energy: -162.064449
where:
bonds (distance) C4'-P energy: -32.010
bonds (distance) P-C4' energy: -36.973
flat angles C4'-P-C4' energy: -34.029
flat angles P-C4'-P energy: -14.907
tors. eta vs tors. theta energy: -44.145
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: 6, replica: 9
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -498.664251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.664251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.664251 (E_RNA)
where:
Base-Base interactions energy: -358.907
where: short stacking energy: -143.489
Base-Backbone interact. energy: -0.951
local terms energy: -138.806197
where:
bonds (distance) C4'-P energy: -27.709
bonds (distance) P-C4' energy: -32.121
flat angles C4'-P-C4' energy: -29.052
flat angles P-C4'-P energy: -16.469
tors. eta vs tors. theta energy: -33.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -461.865044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.865044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.865044 (E_RNA)
where:
Base-Base interactions energy: -315.549
where: short stacking energy: -141.515
Base-Backbone interact. energy: -0.218
local terms energy: -146.097588
where:
bonds (distance) C4'-P energy: -23.995
bonds (distance) P-C4' energy: -30.295
flat angles C4'-P-C4' energy: -34.841
flat angles P-C4'-P energy: -21.947
tors. eta vs tors. theta energy: -35.020
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: 1
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -411.802814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.802814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.802814 (E_RNA)
where:
Base-Base interactions energy: -290.841
where: short stacking energy: -116.018
Base-Backbone interact. energy: -1.295
local terms energy: -119.667509
where:
bonds (distance) C4'-P energy: -24.559
bonds (distance) P-C4' energy: -24.204
flat angles C4'-P-C4' energy: -29.256
flat angles P-C4'-P energy: -17.717
tors. eta vs tors. theta energy: -23.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -366.582815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.582815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.582815 (E_RNA)
where:
Base-Base interactions energy: -239.182
where: short stacking energy: -106.106
Base-Backbone interact. energy: -0.274
local terms energy: -127.127116
where:
bonds (distance) C4'-P energy: -20.216
bonds (distance) P-C4' energy: -30.043
flat angles C4'-P-C4' energy: -32.273
flat angles P-C4'-P energy: -15.075
tors. eta vs tors. theta energy: -29.519
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: 262
Temperature: 1.350000
Total energy: -351.534794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.534794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.534794 (E_RNA)
where:
Base-Base interactions energy: -239.640
where: short stacking energy: -96.322
Base-Backbone interact. energy: -0.828
local terms energy: -111.067609
where:
bonds (distance) C4'-P energy: -32.801
bonds (distance) P-C4' energy: -18.707
flat angles C4'-P-C4' energy: -23.749
flat angles P-C4'-P energy: -17.523
tors. eta vs tors. theta energy: -18.288
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: 8
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -586.337294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.337294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.337294 (E_RNA)
where:
Base-Base interactions energy: -405.601
where: short stacking energy: -170.162
Base-Backbone interact. energy: -1.969
local terms energy: -178.766856
where:
bonds (distance) C4'-P energy: -32.192
bonds (distance) P-C4' energy: -30.930
flat angles C4'-P-C4' energy: -34.870
flat angles P-C4'-P energy: -29.378
tors. eta vs tors. theta energy: -51.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -569.763396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.763396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.763396 (E_RNA)
where:
Base-Base interactions energy: -389.041
where: short stacking energy: -169.370
Base-Backbone interact. energy: -0.498
local terms energy: -180.224601
where:
bonds (distance) C4'-P energy: -37.504
bonds (distance) P-C4' energy: -36.467
flat angles C4'-P-C4' energy: -37.546
flat angles P-C4'-P energy: -22.037
tors. eta vs tors. theta energy: -46.671
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: 263
Temperature: 1.000000
Total energy: -561.517399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.517399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.517399 (E_RNA)
where:
Base-Base interactions energy: -398.226
where: short stacking energy: -172.918
Base-Backbone interact. energy: -1.288
local terms energy: -162.003001
where:
bonds (distance) C4'-P energy: -28.685
bonds (distance) P-C4' energy: -34.548
flat angles C4'-P-C4' energy: -31.140
flat angles P-C4'-P energy: -22.616
tors. eta vs tors. theta energy: -45.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -553.475649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.475649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.475649 (E_RNA)
where:
Base-Base interactions energy: -389.551
where: short stacking energy: -166.666
Base-Backbone interact. energy: -0.300
local terms energy: -163.625432
where:
bonds (distance) C4'-P energy: -30.927
bonds (distance) P-C4' energy: -31.434
flat angles C4'-P-C4' energy: -37.112
flat angles P-C4'-P energy: -21.403
tors. eta vs tors. theta energy: -42.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -528.852303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.852303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.852303 (E_RNA)
where:
Base-Base interactions energy: -369.262
where: short stacking energy: -171.446
Base-Backbone interact. energy: -0.193
local terms energy: -159.397220
where:
bonds (distance) C4'-P energy: -26.431
bonds (distance) P-C4' energy: -26.615
flat angles C4'-P-C4' energy: -35.036
flat angles P-C4'-P energy: -22.732
tors. eta vs tors. theta energy: -48.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -502.870777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.870777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.870777 (E_RNA)
where:
Base-Base interactions energy: -359.077
where: short stacking energy: -149.797
Base-Backbone interact. energy: -0.363
local terms energy: -143.430825
where:
bonds (distance) C4'-P energy: -22.373
bonds (distance) P-C4' energy: -35.115
flat angles C4'-P-C4' energy: -32.889
flat angles P-C4'-P energy: -18.887
tors. eta vs tors. theta energy: -34.168
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: 4
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -453.903329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.903329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.903329 (E_RNA)
where:
Base-Base interactions energy: -313.161
where: short stacking energy: -156.512
Base-Backbone interact. energy: -1.325
local terms energy: -139.417182
where:
bonds (distance) C4'-P energy: -27.075
bonds (distance) P-C4' energy: -20.331
flat angles C4'-P-C4' energy: -36.365
flat angles P-C4'-P energy: -18.030
tors. eta vs tors. theta energy: -37.617
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: 1
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -414.760616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.760616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.760616 (E_RNA)
where:
Base-Base interactions energy: -275.937
where: short stacking energy: -137.034
Base-Backbone interact. energy: -0.186
local terms energy: -138.637046
where:
bonds (distance) C4'-P energy: -26.504
bonds (distance) P-C4' energy: -22.030
flat angles C4'-P-C4' energy: -32.129
flat angles P-C4'-P energy: -22.220
tors. eta vs tors. theta energy: -35.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -346.814741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.814741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.814741 (E_RNA)
where:
Base-Base interactions energy: -233.236
where: short stacking energy: -111.679
Base-Backbone interact. energy: -0.834
local terms energy: -112.744666
where:
bonds (distance) C4'-P energy: -20.604
bonds (distance) P-C4' energy: -24.057
flat angles C4'-P-C4' energy: -30.112
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -24.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -374.851948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.851948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.851948 (E_RNA)
where:
Base-Base interactions energy: -251.939
where: short stacking energy: -109.973
Base-Backbone interact. energy: -0.216
local terms energy: -122.697387
where:
bonds (distance) C4'-P energy: -23.439
bonds (distance) P-C4' energy: -30.273
flat angles C4'-P-C4' energy: -33.695
flat angles P-C4'-P energy: -13.837
tors. eta vs tors. theta energy: -21.453
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: 1, replica: 7
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -573.950525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.950525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.950525 (E_RNA)
where:
Base-Base interactions energy: -400.150
where: short stacking energy: -165.061
Base-Backbone interact. energy: -0.818
local terms energy: -172.982029
where:
bonds (distance) C4'-P energy: -31.407
bonds (distance) P-C4' energy: -34.489
flat angles C4'-P-C4' energy: -35.467
flat angles P-C4'-P energy: -24.248
tors. eta vs tors. theta energy: -47.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -574.531359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.531359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.531359 (E_RNA)
where:
Base-Base interactions energy: -404.114
where: short stacking energy: -174.053
Base-Backbone interact. energy: 0.396
local terms energy: -170.813526
where:
bonds (distance) C4'-P energy: -27.622
bonds (distance) P-C4' energy: -29.275
flat angles C4'-P-C4' energy: -35.364
flat angles P-C4'-P energy: -27.172
tors. eta vs tors. theta energy: -51.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -561.416094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.416094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.416094 (E_RNA)
where:
Base-Base interactions energy: -401.682
where: short stacking energy: -172.475
Base-Backbone interact. energy: -0.086
local terms energy: -159.648524
where:
bonds (distance) C4'-P energy: -29.867
bonds (distance) P-C4' energy: -30.769
flat angles C4'-P-C4' energy: -33.599
flat angles P-C4'-P energy: -18.143
tors. eta vs tors. theta energy: -47.271
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: 264
Temperature: 1.050000
Total energy: -565.253431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.253431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.253431 (E_RNA)
where:
Base-Base interactions energy: -396.331
where: short stacking energy: -179.926
Base-Backbone interact. energy: -0.185
local terms energy: -168.737725
where:
bonds (distance) C4'-P energy: -28.622
bonds (distance) P-C4' energy: -31.753
flat angles C4'-P-C4' energy: -33.806
flat angles P-C4'-P energy: -26.546
tors. eta vs tors. theta energy: -48.012
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: 6
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -525.667808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.667808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.667808 (E_RNA)
where:
Base-Base interactions energy: -359.538
where: short stacking energy: -165.456
Base-Backbone interact. energy: -0.614
local terms energy: -165.516343
where:
bonds (distance) C4'-P energy: -32.852
bonds (distance) P-C4' energy: -33.105
flat angles C4'-P-C4' energy: -29.711
flat angles P-C4'-P energy: -20.898
tors. eta vs tors. theta energy: -48.951
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: 9
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -520.283498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.283498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.283498 (E_RNA)
where:
Base-Base interactions energy: -368.164
where: short stacking energy: -149.522
Base-Backbone interact. energy: -0.673
local terms energy: -151.446165
where:
bonds (distance) C4'-P energy: -31.861
bonds (distance) P-C4' energy: -20.334
flat angles C4'-P-C4' energy: -30.230
flat angles P-C4'-P energy: -21.600
tors. eta vs tors. theta energy: -47.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -467.924269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.924269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.924269 (E_RNA)
where:
Base-Base interactions energy: -313.653
where: short stacking energy: -148.930
Base-Backbone interact. energy: -2.457
local terms energy: -151.814428
where:
bonds (distance) C4'-P energy: -27.453
bonds (distance) P-C4' energy: -28.390
flat angles C4'-P-C4' energy: -33.866
flat angles P-C4'-P energy: -18.788
tors. eta vs tors. theta energy: -43.318
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: 1
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -392.721219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.721219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.721219 (E_RNA)
where:
Base-Base interactions energy: -259.956
where: short stacking energy: -125.832
Base-Backbone interact. energy: -0.117
local terms energy: -132.648053
where:
bonds (distance) C4'-P energy: -30.745
bonds (distance) P-C4' energy: -33.323
flat angles C4'-P-C4' energy: -28.649
flat angles P-C4'-P energy: -16.177
tors. eta vs tors. theta energy: -23.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -314.681212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.681212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.681212 (E_RNA)
where:
Base-Base interactions energy: -186.863
where: short stacking energy: -87.163
Base-Backbone interact. energy: 3.088
local terms energy: -130.906012
where:
bonds (distance) C4'-P energy: -33.506
bonds (distance) P-C4' energy: -32.160
flat angles C4'-P-C4' energy: -30.656
flat angles P-C4'-P energy: -19.329
tors. eta vs tors. theta energy: -15.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -314.814016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.814016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.814016 (E_RNA)
where:
Base-Base interactions energy: -214.396
where: short stacking energy: -100.461
Base-Backbone interact. energy: -0.146
local terms energy: -100.271298
where:
bonds (distance) C4'-P energy: -24.441
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -24.947
flat angles P-C4'-P energy: -23.817
tors. eta vs tors. theta energy: -11.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -577.509365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.509365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.509365 (E_RNA)
where:
Base-Base interactions energy: -407.259
where: short stacking energy: -174.677
Base-Backbone interact. energy: -0.380
local terms energy: -169.869964
where:
bonds (distance) C4'-P energy: -27.995
bonds (distance) P-C4' energy: -33.705
flat angles C4'-P-C4' energy: -37.310
flat angles P-C4'-P energy: -25.282
tors. eta vs tors. theta energy: -45.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -578.082274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.082274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.082274 (E_RNA)
where:
Base-Base interactions energy: -403.862
where: short stacking energy: -175.830
Base-Backbone interact. energy: -2.099
local terms energy: -172.121267
where:
bonds (distance) C4'-P energy: -30.409
bonds (distance) P-C4' energy: -36.480
flat angles C4'-P-C4' energy: -32.122
flat angles P-C4'-P energy: -24.363
tors. eta vs tors. theta energy: -48.748
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: 3, replica: 5
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -552.227101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.227101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.227101 (E_RNA)
where:
Base-Base interactions energy: -383.798
where: short stacking energy: -171.962
Base-Backbone interact. energy: -0.359
local terms energy: -168.070507
where:
bonds (distance) C4'-P energy: -29.931
bonds (distance) P-C4' energy: -32.570
flat angles C4'-P-C4' energy: -36.429
flat angles P-C4'-P energy: -24.615
tors. eta vs tors. theta energy: -44.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -532.300392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.300392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.300392 (E_RNA)
where:
Base-Base interactions energy: -366.763
where: short stacking energy: -159.879
Base-Backbone interact. energy: -0.134
local terms energy: -165.403260
where:
bonds (distance) C4'-P energy: -30.811
bonds (distance) P-C4' energy: -30.062
flat angles C4'-P-C4' energy: -33.289
flat angles P-C4'-P energy: -23.050
tors. eta vs tors. theta energy: -48.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -512.014869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.014869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.014869 (E_RNA)
where:
Base-Base interactions energy: -350.360
where: short stacking energy: -154.980
Base-Backbone interact. energy: -0.121
local terms energy: -161.533444
where:
bonds (distance) C4'-P energy: -30.025
bonds (distance) P-C4' energy: -31.448
flat angles C4'-P-C4' energy: -32.191
flat angles P-C4'-P energy: -22.931
tors. eta vs tors. theta energy: -44.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -491.070793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.070793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.070793 (E_RNA)
where:
Base-Base interactions energy: -345.765
where: short stacking energy: -150.848
Base-Backbone interact. energy: -1.163
local terms energy: -144.143298
where:
bonds (distance) C4'-P energy: -21.607
bonds (distance) P-C4' energy: -32.139
flat angles C4'-P-C4' energy: -28.952
flat angles P-C4'-P energy: -20.516
tors. eta vs tors. theta energy: -40.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -448.809560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.809560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.809560 (E_RNA)
where:
Base-Base interactions energy: -311.834
where: short stacking energy: -143.938
Base-Backbone interact. energy: -0.452
local terms energy: -136.523435
where:
bonds (distance) C4'-P energy: -17.707
bonds (distance) P-C4' energy: -27.289
flat angles C4'-P-C4' energy: -36.402
flat angles P-C4'-P energy: -18.227
tors. eta vs tors. theta energy: -36.899
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: 1
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -412.034596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.034596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.034596 (E_RNA)
where:
Base-Base interactions energy: -269.795
where: short stacking energy: -131.729
Base-Backbone interact. energy: -0.274
local terms energy: -141.965356
where:
bonds (distance) C4'-P energy: -27.590
bonds (distance) P-C4' energy: -34.231
flat angles C4'-P-C4' energy: -30.291
flat angles P-C4'-P energy: -18.017
tors. eta vs tors. theta energy: -31.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -309.848435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.848435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.848435 (E_RNA)
where:
Base-Base interactions energy: -200.374
where: short stacking energy: -89.351
Base-Backbone interact. energy: -0.733
local terms energy: -108.740994
where:
bonds (distance) C4'-P energy: -19.077
bonds (distance) P-C4' energy: -28.941
flat angles C4'-P-C4' energy: -25.967
flat angles P-C4'-P energy: -23.707
tors. eta vs tors. theta energy: -11.049
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: 3
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -312.102473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.102473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.102473 (E_RNA)
where:
Base-Base interactions energy: -194.698
where: short stacking energy: -94.459
Base-Backbone interact. energy: -0.269
local terms energy: -117.134941
where:
bonds (distance) C4'-P energy: -23.946
bonds (distance) P-C4' energy: -36.164
flat angles C4'-P-C4' energy: -29.178
flat angles P-C4'-P energy: -14.346
tors. eta vs tors. theta energy: -13.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -595.259291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.259291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.259291 (E_RNA)
where:
Base-Base interactions energy: -422.365
where: short stacking energy: -174.322
Base-Backbone interact. energy: -1.814
local terms energy: -171.081054
where:
bonds (distance) C4'-P energy: -31.506
bonds (distance) P-C4' energy: -34.794
flat angles C4'-P-C4' energy: -35.003
flat angles P-C4'-P energy: -22.991
tors. eta vs tors. theta energy: -46.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -576.882053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.882053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.882053 (E_RNA)
where:
Base-Base interactions energy: -391.835
where: short stacking energy: -170.660
Base-Backbone interact. energy: -0.011
local terms energy: -185.036076
where:
bonds (distance) C4'-P energy: -30.455
bonds (distance) P-C4' energy: -36.335
flat angles C4'-P-C4' energy: -40.191
flat angles P-C4'-P energy: -25.690
tors. eta vs tors. theta energy: -52.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -551.689916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.689916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.689916 (E_RNA)
where:
Base-Base interactions energy: -374.560
where: short stacking energy: -170.791
Base-Backbone interact. energy: -0.404
local terms energy: -176.725747
where:
bonds (distance) C4'-P energy: -31.394
bonds (distance) P-C4' energy: -33.587
flat angles C4'-P-C4' energy: -37.084
flat angles P-C4'-P energy: -27.263
tors. eta vs tors. theta energy: -47.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -532.722472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.722472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.722472 (E_RNA)
where:
Base-Base interactions energy: -372.792
where: short stacking energy: -159.856
Base-Backbone interact. energy: -0.279
local terms energy: -159.651364
where:
bonds (distance) C4'-P energy: -27.058
bonds (distance) P-C4' energy: -28.213
flat angles C4'-P-C4' energy: -32.757
flat angles P-C4'-P energy: -29.078
tors. eta vs tors. theta energy: -42.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -528.264937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.264937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.264937 (E_RNA)
where:
Base-Base interactions energy: -366.571
where: short stacking energy: -154.379
Base-Backbone interact. energy: -0.065
local terms energy: -161.629028
where:
bonds (distance) C4'-P energy: -26.703
bonds (distance) P-C4' energy: -32.567
flat angles C4'-P-C4' energy: -39.875
flat angles P-C4'-P energy: -19.843
tors. eta vs tors. theta energy: -42.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -476.388824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.388824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.388824 (E_RNA)
where:
Base-Base interactions energy: -329.211
where: short stacking energy: -134.970
Base-Backbone interact. energy: -0.086
local terms energy: -147.091315
where:
bonds (distance) C4'-P energy: -27.436
bonds (distance) P-C4' energy: -28.610
flat angles C4'-P-C4' energy: -33.664
flat angles P-C4'-P energy: -23.456
tors. eta vs tors. theta energy: -33.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -403.428355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.428355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.428355 (E_RNA)
where:
Base-Base interactions energy: -262.890
where: short stacking energy: -118.775
Base-Backbone interact. energy: -0.187
local terms energy: -140.351756
where:
bonds (distance) C4'-P energy: -32.605
bonds (distance) P-C4' energy: -33.361
flat angles C4'-P-C4' energy: -33.507
flat angles P-C4'-P energy: -15.376
tors. eta vs tors. theta energy: -25.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -470.293221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.293221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.293221 (E_RNA)
where:
Base-Base interactions energy: -315.819
where: short stacking energy: -141.098
Base-Backbone interact. energy: -0.082
local terms energy: -154.392392
where:
bonds (distance) C4'-P energy: -25.998
bonds (distance) P-C4' energy: -35.568
flat angles C4'-P-C4' energy: -30.312
flat angles P-C4'-P energy: -18.711
tors. eta vs tors. theta energy: -43.804
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: 3
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -338.373560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.373560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.373560 (E_RNA)
where:
Base-Base interactions energy: -211.132
where: short stacking energy: -107.926
Base-Backbone interact. energy: -0.124
local terms energy: -127.117191
where:
bonds (distance) C4'-P energy: -22.750
bonds (distance) P-C4' energy: -33.326
flat angles C4'-P-C4' energy: -27.381
flat angles P-C4'-P energy: -19.140
tors. eta vs tors. theta energy: -24.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -308.686953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.686953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.686953 (E_RNA)
where:
Base-Base interactions energy: -192.694
where: short stacking energy: -83.803
Base-Backbone interact. energy: -1.063
local terms energy: -114.929778
where:
bonds (distance) C4'-P energy: -34.929
bonds (distance) P-C4' energy: -32.355
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -18.675
tors. eta vs tors. theta energy: -15.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -575.810912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.810912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.810912 (E_RNA)
where:
Base-Base interactions energy: -400.694
where: short stacking energy: -164.745
Base-Backbone interact. energy: -0.384
local terms energy: -174.732085
where:
bonds (distance) C4'-P energy: -35.476
bonds (distance) P-C4' energy: -34.617
flat angles C4'-P-C4' energy: -34.028
flat angles P-C4'-P energy: -25.222
tors. eta vs tors. theta energy: -45.390
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: 8
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -564.718116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.718116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.718116 (E_RNA)
where:
Base-Base interactions energy: -385.991
where: short stacking energy: -166.917
Base-Backbone interact. energy: -2.101
local terms energy: -176.626085
where:
bonds (distance) C4'-P energy: -34.123
bonds (distance) P-C4' energy: -31.796
flat angles C4'-P-C4' energy: -36.700
flat angles P-C4'-P energy: -22.290
tors. eta vs tors. theta energy: -51.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -559.965903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.965903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.965903 (E_RNA)
where:
Base-Base interactions energy: -375.168
where: short stacking energy: -182.757
Base-Backbone interact. energy: -0.366
local terms energy: -184.431610
where:
bonds (distance) C4'-P energy: -36.456
bonds (distance) P-C4' energy: -35.179
flat angles C4'-P-C4' energy: -37.897
flat angles P-C4'-P energy: -19.787
tors. eta vs tors. theta energy: -55.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -549.045371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.045371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.045371 (E_RNA)
where:
Base-Base interactions energy: -387.465
where: short stacking energy: -165.816
Base-Backbone interact. energy: -0.346
local terms energy: -161.233614
where:
bonds (distance) C4'-P energy: -33.184
bonds (distance) P-C4' energy: -30.131
flat angles C4'-P-C4' energy: -28.486
flat angles P-C4'-P energy: -20.360
tors. eta vs tors. theta energy: -49.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -542.266513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.266513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.266513 (E_RNA)
where:
Base-Base interactions energy: -389.217
where: short stacking energy: -163.587
Base-Backbone interact. energy: -0.108
local terms energy: -152.941243
where:
bonds (distance) C4'-P energy: -27.176
bonds (distance) P-C4' energy: -31.153
flat angles C4'-P-C4' energy: -31.469
flat angles P-C4'-P energy: -17.367
tors. eta vs tors. theta energy: -45.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -505.853038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.853038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.853038 (E_RNA)
where:
Base-Base interactions energy: -353.949
where: short stacking energy: -158.494
Base-Backbone interact. energy: -0.282
local terms energy: -151.621976
where:
bonds (distance) C4'-P energy: -30.149
bonds (distance) P-C4' energy: -23.309
flat angles C4'-P-C4' energy: -32.449
flat angles P-C4'-P energy: -21.051
tors. eta vs tors. theta energy: -44.663
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: 1
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -433.506409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.506409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.506409 (E_RNA)
where:
Base-Base interactions energy: -295.106
where: short stacking energy: -139.182
Base-Backbone interact. energy: -1.368
local terms energy: -137.032580
where:
bonds (distance) C4'-P energy: -28.541
bonds (distance) P-C4' energy: -27.338
flat angles C4'-P-C4' energy: -31.359
flat angles P-C4'-P energy: -18.173
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: 8, replica: 4
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -425.791413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.791413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.791413 (E_RNA)
where:
Base-Base interactions energy: -298.474
where: short stacking energy: -136.082
Base-Backbone interact. energy: -1.024
local terms energy: -126.293180
where:
bonds (distance) C4'-P energy: -22.478
bonds (distance) P-C4' energy: -31.810
flat angles C4'-P-C4' energy: -25.717
flat angles P-C4'-P energy: -17.267
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: 9, replica: 3
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -332.633260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.633260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.633260 (E_RNA)
where:
Base-Base interactions energy: -224.668
where: short stacking energy: -98.549
Base-Backbone interact. energy: -0.429
local terms energy: -107.535693
where:
bonds (distance) C4'-P energy: -23.931
bonds (distance) P-C4' energy: -28.018
flat angles C4'-P-C4' energy: -20.954
flat angles P-C4'-P energy: -14.953
tors. eta vs tors. theta energy: -19.680
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: 267
Temperature: 1.350000
Total energy: -295.139602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.139602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.139602 (E_RNA)
where:
Base-Base interactions energy: -197.184
where: short stacking energy: -95.399
Base-Backbone interact. energy: 2.348
local terms energy: -100.303799
where:
bonds (distance) C4'-P energy: -25.200
bonds (distance) P-C4' energy: -27.268
flat angles C4'-P-C4' energy: -24.432
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -14.977
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: 8
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -591.610273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.610273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.610273 (E_RNA)
where:
Base-Base interactions energy: -405.836
where: short stacking energy: -181.912
Base-Backbone interact. energy: -1.138
local terms energy: -184.636297
where:
bonds (distance) C4'-P energy: -33.189
bonds (distance) P-C4' energy: -33.177
flat angles C4'-P-C4' energy: -37.829
flat angles P-C4'-P energy: -26.891
tors. eta vs tors. theta energy: -53.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -580.180633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.180633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.180633 (E_RNA)
where:
Base-Base interactions energy: -413.097
where: short stacking energy: -163.739
Base-Backbone interact. energy: -0.065
local terms energy: -167.018752
where:
bonds (distance) C4'-P energy: -27.667
bonds (distance) P-C4' energy: -32.361
flat angles C4'-P-C4' energy: -38.452
flat angles P-C4'-P energy: -24.699
tors. eta vs tors. theta energy: -43.840
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: 3, replica: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -556.569707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.569707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.569707 (E_RNA)
where:
Base-Base interactions energy: -381.975
where: short stacking energy: -158.560
Base-Backbone interact. energy: 0.452
local terms energy: -175.047020
where:
bonds (distance) C4'-P energy: -32.126
bonds (distance) P-C4' energy: -37.767
flat angles C4'-P-C4' energy: -35.189
flat angles P-C4'-P energy: -21.483
tors. eta vs tors. theta energy: -48.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -553.282386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.282386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.282386 (E_RNA)
where:
Base-Base interactions energy: -379.896
where: short stacking energy: -177.694
Base-Backbone interact. energy: -0.876
local terms energy: -172.510586
where:
bonds (distance) C4'-P energy: -33.187
bonds (distance) P-C4' energy: -30.212
flat angles C4'-P-C4' energy: -36.108
flat angles P-C4'-P energy: -20.939
tors. eta vs tors. theta energy: -52.064
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: 5, replica: 5
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -544.216295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.216295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.216295 (E_RNA)
where:
Base-Base interactions energy: -383.768
where: short stacking energy: -157.055
Base-Backbone interact. energy: -0.021
local terms energy: -160.427449
where:
bonds (distance) C4'-P energy: -30.458
bonds (distance) P-C4' energy: -30.965
flat angles C4'-P-C4' energy: -36.921
flat angles P-C4'-P energy: -22.544
tors. eta vs tors. theta energy: -39.539
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: 9
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -507.061335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.061335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.061335 (E_RNA)
where:
Base-Base interactions energy: -358.466
where: short stacking energy: -156.225
Base-Backbone interact. energy: -1.414
local terms energy: -147.181649
where:
bonds (distance) C4'-P energy: -22.949
bonds (distance) P-C4' energy: -29.469
flat angles C4'-P-C4' energy: -31.763
flat angles P-C4'-P energy: -22.098
tors. eta vs tors. theta energy: -40.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -434.940959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.940959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.940959 (E_RNA)
where:
Base-Base interactions energy: -297.952
where: short stacking energy: -139.760
Base-Backbone interact. energy: 0.433
local terms energy: -137.421702
where:
bonds (distance) C4'-P energy: -28.045
bonds (distance) P-C4' energy: -28.527
flat angles C4'-P-C4' energy: -32.018
flat angles P-C4'-P energy: -19.464
tors. eta vs tors. theta energy: -29.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -426.647766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.647766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.647766 (E_RNA)
where:
Base-Base interactions energy: -299.637
where: short stacking energy: -135.838
Base-Backbone interact. energy: -0.485
local terms energy: -126.526012
where:
bonds (distance) C4'-P energy: -21.962
bonds (distance) P-C4' energy: -28.412
flat angles C4'-P-C4' energy: -28.850
flat angles P-C4'-P energy: -14.466
tors. eta vs tors. theta energy: -32.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -326.924979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.924979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.924979 (E_RNA)
where:
Base-Base interactions energy: -222.630
where: short stacking energy: -94.148
Base-Backbone interact. energy: -0.248
local terms energy: -104.046846
where:
bonds (distance) C4'-P energy: -19.749
bonds (distance) P-C4' energy: -29.886
flat angles C4'-P-C4' energy: -19.996
flat angles P-C4'-P energy: -14.437
tors. eta vs tors. theta energy: -19.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -267.376126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.376126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.376126 (E_RNA)
where:
Base-Base interactions energy: -177.433
where: short stacking energy: -86.532
Base-Backbone interact. energy: -0.113
local terms energy: -89.830152
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -28.161
flat angles C4'-P-C4' energy: -22.613
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -14.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -586.705467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.705467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.705467 (E_RNA)
where:
Base-Base interactions energy: -402.677
where: short stacking energy: -177.864
Base-Backbone interact. energy: -0.873
local terms energy: -183.155066
where:
bonds (distance) C4'-P energy: -33.546
bonds (distance) P-C4' energy: -34.585
flat angles C4'-P-C4' energy: -38.306
flat angles P-C4'-P energy: -25.538
tors. eta vs tors. theta energy: -51.181
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: 7
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -575.100188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.100188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.100188 (E_RNA)
where:
Base-Base interactions energy: -409.415
where: short stacking energy: -172.300
Base-Backbone interact. energy: -0.478
local terms energy: -165.206351
where:
bonds (distance) C4'-P energy: -33.807
bonds (distance) P-C4' energy: -33.037
flat angles C4'-P-C4' energy: -26.196
flat angles P-C4'-P energy: -23.727
tors. eta vs tors. theta energy: -48.440
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: 2
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -559.615842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.615842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.615842 (E_RNA)
where:
Base-Base interactions energy: -385.991
where: short stacking energy: -175.769
Base-Backbone interact. energy: -0.752
local terms energy: -172.873077
where:
bonds (distance) C4'-P energy: -31.340
bonds (distance) P-C4' energy: -29.509
flat angles C4'-P-C4' energy: -36.678
flat angles P-C4'-P energy: -23.384
tors. eta vs tors. theta energy: -51.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -519.151308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.151308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.151308 (E_RNA)
where:
Base-Base interactions energy: -355.914
where: short stacking energy: -159.295
Base-Backbone interact. energy: -0.091
local terms energy: -163.146278
where:
bonds (distance) C4'-P energy: -28.751
bonds (distance) P-C4' energy: -32.235
flat angles C4'-P-C4' energy: -27.181
flat angles P-C4'-P energy: -24.621
tors. eta vs tors. theta energy: -50.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -528.169324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.169324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.169324 (E_RNA)
where:
Base-Base interactions energy: -371.835
where: short stacking energy: -158.945
Base-Backbone interact. energy: -0.146
local terms energy: -156.188230
where:
bonds (distance) C4'-P energy: -29.323
bonds (distance) P-C4' energy: -33.658
flat angles C4'-P-C4' energy: -30.446
flat angles P-C4'-P energy: -21.066
tors. eta vs tors. theta energy: -41.695
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: 9
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -501.917727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.917727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.917727 (E_RNA)
where:
Base-Base interactions energy: -366.570
where: short stacking energy: -134.491
Base-Backbone interact. energy: -0.365
local terms energy: -134.982765
where:
bonds (distance) C4'-P energy: -22.210
bonds (distance) P-C4' energy: -24.093
flat angles C4'-P-C4' energy: -32.562
flat angles P-C4'-P energy: -19.677
tors. eta vs tors. theta energy: -36.441
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: 7, replica: 4
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -469.481045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.481045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.481045 (E_RNA)
where:
Base-Base interactions energy: -308.667
where: short stacking energy: -143.333
Base-Backbone interact. energy: -0.045
local terms energy: -160.768961
where:
bonds (distance) C4'-P energy: -28.498
bonds (distance) P-C4' energy: -30.331
flat angles C4'-P-C4' energy: -32.600
flat angles P-C4'-P energy: -25.563
tors. eta vs tors. theta energy: -43.776
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: 8, replica: 1
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -399.889063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.889063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.889063 (E_RNA)
where:
Base-Base interactions energy: -273.549
where: short stacking energy: -129.804
Base-Backbone interact. energy: 5.145
local terms energy: -131.484841
where:
bonds (distance) C4'-P energy: -31.231
bonds (distance) P-C4' energy: -27.476
flat angles C4'-P-C4' energy: -25.686
flat angles P-C4'-P energy: -20.642
tors. eta vs tors. theta energy: -26.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -308.951703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.951703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.951703 (E_RNA)
where:
Base-Base interactions energy: -200.909
where: short stacking energy: -99.884
Base-Backbone interact. energy: -0.494
local terms energy: -107.549338
where:
bonds (distance) C4'-P energy: -27.127
bonds (distance) P-C4' energy: -24.841
flat angles C4'-P-C4' energy: -24.750
flat angles P-C4'-P energy: -14.150
tors. eta vs tors. theta energy: -16.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -317.119346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.119346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.119346 (E_RNA)
where:
Base-Base interactions energy: -212.083
where: short stacking energy: -91.252
Base-Backbone interact. energy: 0.233
local terms energy: -105.268983
where:
bonds (distance) C4'-P energy: -20.704
bonds (distance) P-C4' energy: -27.870
flat angles C4'-P-C4' energy: -24.501
flat angles P-C4'-P energy: -16.696
tors. eta vs tors. theta energy: -15.497
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: 7
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -580.737707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.737707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.737707 (E_RNA)
where:
Base-Base interactions energy: -413.047
where: short stacking energy: -162.364
Base-Backbone interact. energy: -0.518
local terms energy: -167.172850
where:
bonds (distance) C4'-P energy: -32.437
bonds (distance) P-C4' energy: -34.512
flat angles C4'-P-C4' energy: -30.698
flat angles P-C4'-P energy: -22.834
tors. eta vs tors. theta energy: -46.691
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: 8
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -574.662154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.662154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.662154 (E_RNA)
where:
Base-Base interactions energy: -409.437
where: short stacking energy: -171.362
Base-Backbone interact. energy: 0.464
local terms energy: -165.688964
where:
bonds (distance) C4'-P energy: -27.710
bonds (distance) P-C4' energy: -31.311
flat angles C4'-P-C4' energy: -33.647
flat angles P-C4'-P energy: -22.015
tors. eta vs tors. theta energy: -51.007
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: 2
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -567.804480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.804480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.804480 (E_RNA)
where:
Base-Base interactions energy: -398.550
where: short stacking energy: -174.409
Base-Backbone interact. energy: 0.810
local terms energy: -170.064202
where:
bonds (distance) C4'-P energy: -26.202
bonds (distance) P-C4' energy: -28.156
flat angles C4'-P-C4' energy: -38.064
flat angles P-C4'-P energy: -27.590
tors. eta vs tors. theta energy: -50.053
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: 6
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -529.638538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.638538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.638538 (E_RNA)
where:
Base-Base interactions energy: -358.884
where: short stacking energy: -162.765
Base-Backbone interact. energy: -1.444
local terms energy: -169.310638
where:
bonds (distance) C4'-P energy: -26.732
bonds (distance) P-C4' energy: -30.107
flat angles C4'-P-C4' energy: -38.128
flat angles P-C4'-P energy: -29.947
tors. eta vs tors. theta energy: -44.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -543.344494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.344494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.344494 (E_RNA)
where:
Base-Base interactions energy: -397.517
where: short stacking energy: -162.499
Base-Backbone interact. energy: -0.657
local terms energy: -145.170655
where:
bonds (distance) C4'-P energy: -24.600
bonds (distance) P-C4' energy: -28.819
flat angles C4'-P-C4' energy: -28.264
flat angles P-C4'-P energy: -20.218
tors. eta vs tors. theta energy: -43.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -507.980615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.980615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.980615 (E_RNA)
where:
Base-Base interactions energy: -355.573
where: short stacking energy: -148.094
Base-Backbone interact. energy: -0.976
local terms energy: -151.431114
where:
bonds (distance) C4'-P energy: -23.971
bonds (distance) P-C4' energy: -29.679
flat angles C4'-P-C4' energy: -34.764
flat angles P-C4'-P energy: -19.957
tors. eta vs tors. theta energy: -43.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -450.495850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.495850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.495850 (E_RNA)
where:
Base-Base interactions energy: -310.556
where: short stacking energy: -139.388
Base-Backbone interact. energy: -0.586
local terms energy: -139.353961
where:
bonds (distance) C4'-P energy: -26.532
bonds (distance) P-C4' energy: -31.205
flat angles C4'-P-C4' energy: -28.785
flat angles P-C4'-P energy: -16.387
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: 8, replica: 1
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -405.006232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.006232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.006232 (E_RNA)
where:
Base-Base interactions energy: -280.782
where: short stacking energy: -124.942
Base-Backbone interact. energy: -0.347
local terms energy: -123.877260
where:
bonds (distance) C4'-P energy: -21.697
bonds (distance) P-C4' energy: -29.920
flat angles C4'-P-C4' energy: -29.275
flat angles P-C4'-P energy: -14.696
tors. eta vs tors. theta energy: -28.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -363.408577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.408577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.408577 (E_RNA)
where:
Base-Base interactions energy: -238.072
where: short stacking energy: -111.015
Base-Backbone interact. energy: 0.481
local terms energy: -125.818182
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -35.484
flat angles C4'-P-C4' energy: -37.073
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: -24.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -264.370518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.370518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.370518 (E_RNA)
where:
Base-Base interactions energy: -161.224
where: short stacking energy: -66.421
Base-Backbone interact. energy: -0.262
local terms energy: -102.885075
where:
bonds (distance) C4'-P energy: -28.090
bonds (distance) P-C4' energy: -33.652
flat angles C4'-P-C4' energy: -26.098
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -3.226
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: 271
Temperature: 0.900000
Total energy: -575.019407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.019407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.019407 (E_RNA)
where:
Base-Base interactions energy: -399.926
where: short stacking energy: -168.311
Base-Backbone interact. energy: -1.183
local terms energy: -173.911214
where:
bonds (distance) C4'-P energy: -28.580
bonds (distance) P-C4' energy: -29.705
flat angles C4'-P-C4' energy: -35.467
flat angles P-C4'-P energy: -29.187
tors. eta vs tors. theta energy: -50.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -573.916502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.916502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.916502 (E_RNA)
where:
Base-Base interactions energy: -397.531
where: short stacking energy: -167.189
Base-Backbone interact. energy: -0.872
local terms energy: -175.513316
where:
bonds (distance) C4'-P energy: -34.133
bonds (distance) P-C4' energy: -32.001
flat angles C4'-P-C4' energy: -33.342
flat angles P-C4'-P energy: -25.450
tors. eta vs tors. theta energy: -50.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -564.820643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.820643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.820643 (E_RNA)
where:
Base-Base interactions energy: -400.630
where: short stacking energy: -178.228
Base-Backbone interact. energy: 0.298
local terms energy: -164.489334
where:
bonds (distance) C4'-P energy: -27.507
bonds (distance) P-C4' energy: -27.351
flat angles C4'-P-C4' energy: -34.101
flat angles P-C4'-P energy: -23.989
tors. eta vs tors. theta energy: -51.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -555.145343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.145343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.145343 (E_RNA)
where:
Base-Base interactions energy: -391.460
where: short stacking energy: -160.955
Base-Backbone interact. energy: -0.213
local terms energy: -163.472093
where:
bonds (distance) C4'-P energy: -29.348
bonds (distance) P-C4' energy: -28.730
flat angles C4'-P-C4' energy: -38.086
flat angles P-C4'-P energy: -21.088
tors. eta vs tors. theta energy: -46.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -536.211184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.211184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.211184 (E_RNA)
where:
Base-Base interactions energy: -378.596
where: short stacking energy: -180.795
Base-Backbone interact. energy: -0.074
local terms energy: -157.541126
where:
bonds (distance) C4'-P energy: -24.554
bonds (distance) P-C4' energy: -30.382
flat angles C4'-P-C4' energy: -28.941
flat angles P-C4'-P energy: -23.546
tors. eta vs tors. theta energy: -50.118
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: 6, replica: 9
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -511.708529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.708529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.708529 (E_RNA)
where:
Base-Base interactions energy: -359.373
where: short stacking energy: -147.925
Base-Backbone interact. energy: -0.727
local terms energy: -151.608891
where:
bonds (distance) C4'-P energy: -29.654
bonds (distance) P-C4' energy: -28.025
flat angles C4'-P-C4' energy: -30.861
flat angles P-C4'-P energy: -24.532
tors. eta vs tors. theta energy: -38.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -481.308212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.308212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.308212 (E_RNA)
where:
Base-Base interactions energy: -321.077
where: short stacking energy: -156.718
Base-Backbone interact. energy: -0.040
local terms energy: -160.191233
where:
bonds (distance) C4'-P energy: -28.177
bonds (distance) P-C4' energy: -37.050
flat angles C4'-P-C4' energy: -26.260
flat angles P-C4'-P energy: -24.425
tors. eta vs tors. theta energy: -44.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -412.703788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.703788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.703788 (E_RNA)
where:
Base-Base interactions energy: -276.586
where: short stacking energy: -127.209
Base-Backbone interact. energy: -0.089
local terms energy: -136.028748
where:
bonds (distance) C4'-P energy: -31.137
bonds (distance) P-C4' energy: -30.765
flat angles C4'-P-C4' energy: -28.586
flat angles P-C4'-P energy: -18.693
tors. eta vs tors. theta energy: -26.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -366.172276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.172276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.172276 (E_RNA)
where:
Base-Base interactions energy: -249.067
where: short stacking energy: -123.542
Base-Backbone interact. energy: 0.863
local terms energy: -117.968119
where:
bonds (distance) C4'-P energy: -19.941
bonds (distance) P-C4' energy: -28.019
flat angles C4'-P-C4' energy: -22.212
flat angles P-C4'-P energy: -22.236
tors. eta vs tors. theta energy: -25.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -299.691996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.691996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.691996 (E_RNA)
where:
Base-Base interactions energy: -190.950
where: short stacking energy: -92.485
Base-Backbone interact. energy: -0.316
local terms energy: -108.426420
where:
bonds (distance) C4'-P energy: -25.830
bonds (distance) P-C4' energy: -28.148
flat angles C4'-P-C4' energy: -27.208
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -14.830
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: 8
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -580.606230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.606230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.606230 (E_RNA)
where:
Base-Base interactions energy: -401.833
where: short stacking energy: -178.053
Base-Backbone interact. energy: -1.619
local terms energy: -177.154783
where:
bonds (distance) C4'-P energy: -34.077
bonds (distance) P-C4' energy: -32.664
flat angles C4'-P-C4' energy: -34.330
flat angles P-C4'-P energy: -24.103
tors. eta vs tors. theta energy: -51.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -583.572845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.572845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.572845 (E_RNA)
where:
Base-Base interactions energy: -404.284
where: short stacking energy: -179.983
Base-Backbone interact. energy: -1.497
local terms energy: -177.792204
where:
bonds (distance) C4'-P energy: -32.458
bonds (distance) P-C4' energy: -34.429
flat angles C4'-P-C4' energy: -36.134
flat angles P-C4'-P energy: -24.334
tors. eta vs tors. theta energy: -50.438
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: 3, replica: 2
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -561.102365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.102365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.102365 (E_RNA)
where:
Base-Base interactions energy: -387.272
where: short stacking energy: -174.911
Base-Backbone interact. energy: -0.396
local terms energy: -173.434448
where:
bonds (distance) C4'-P energy: -31.737
bonds (distance) P-C4' energy: -34.803
flat angles C4'-P-C4' energy: -32.462
flat angles P-C4'-P energy: -24.383
tors. eta vs tors. theta energy: -50.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -542.341770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.341770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.341770 (E_RNA)
where:
Base-Base interactions energy: -388.369
where: short stacking energy: -163.468
Base-Backbone interact. energy: -0.404
local terms energy: -153.568909
where:
bonds (distance) C4'-P energy: -28.798
bonds (distance) P-C4' energy: -31.739
flat angles C4'-P-C4' energy: -28.229
flat angles P-C4'-P energy: -23.425
tors. eta vs tors. theta energy: -41.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -526.274881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.274881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.274881 (E_RNA)
where:
Base-Base interactions energy: -355.431
where: short stacking energy: -168.078
Base-Backbone interact. energy: -0.915
local terms energy: -169.929541
where:
bonds (distance) C4'-P energy: -25.157
bonds (distance) P-C4' energy: -30.503
flat angles C4'-P-C4' energy: -37.049
flat angles P-C4'-P energy: -27.712
tors. eta vs tors. theta energy: -49.509
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: 9
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -524.246110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.246110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.246110 (E_RNA)
where:
Base-Base interactions energy: -359.847
where: short stacking energy: -156.870
Base-Backbone interact. energy: -1.196
local terms energy: -163.202633
where:
bonds (distance) C4'-P energy: -28.480
bonds (distance) P-C4' energy: -36.009
flat angles C4'-P-C4' energy: -33.670
flat angles P-C4'-P energy: -20.733
tors. eta vs tors. theta energy: -44.311
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: 4
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -453.523901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.523901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.523901 (E_RNA)
where:
Base-Base interactions energy: -314.426
where: short stacking energy: -130.624
Base-Backbone interact. energy: -0.113
local terms energy: -138.984944
where:
bonds (distance) C4'-P energy: -28.848
bonds (distance) P-C4' energy: -27.212
flat angles C4'-P-C4' energy: -34.885
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: -33.749
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: 272
Temperature: 1.250000
Total energy: -404.801382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.801382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.801382 (E_RNA)
where:
Base-Base interactions energy: -271.511
where: short stacking energy: -130.590
Base-Backbone interact. energy: -1.078
local terms energy: -132.212262
where:
bonds (distance) C4'-P energy: -26.813
bonds (distance) P-C4' energy: -27.155
flat angles C4'-P-C4' energy: -28.820
flat angles P-C4'-P energy: -21.704
tors. eta vs tors. theta energy: -27.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -392.926206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.926206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.926206 (E_RNA)
where:
Base-Base interactions energy: -273.946
where: short stacking energy: -118.121
Base-Backbone interact. energy: -0.967
local terms energy: -118.013979
where:
bonds (distance) C4'-P energy: -24.718
bonds (distance) P-C4' energy: -26.519
flat angles C4'-P-C4' energy: -26.281
flat angles P-C4'-P energy: -20.142
tors. eta vs tors. theta energy: -20.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -337.305491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.305491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.305491 (E_RNA)
where:
Base-Base interactions energy: -221.584
where: short stacking energy: -114.315
Base-Backbone interact. energy: -0.400
local terms energy: -115.322262
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -37.014
flat angles C4'-P-C4' energy: -19.253
flat angles P-C4'-P energy: -19.549
tors. eta vs tors. theta energy: -21.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -590.531086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.531086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.531086 (E_RNA)
where:
Base-Base interactions energy: -410.835
where: short stacking energy: -190.314
Base-Backbone interact. energy: -1.764
local terms energy: -177.931900
where:
bonds (distance) C4'-P energy: -36.172
bonds (distance) P-C4' energy: -24.181
flat angles C4'-P-C4' energy: -38.955
flat angles P-C4'-P energy: -26.230
tors. eta vs tors. theta energy: -52.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -570.516724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.516724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.516724 (E_RNA)
where:
Base-Base interactions energy: -402.419
where: short stacking energy: -162.039
Base-Backbone interact. energy: -0.631
local terms energy: -167.466839
where:
bonds (distance) C4'-P energy: -27.941
bonds (distance) P-C4' energy: -36.506
flat angles C4'-P-C4' energy: -32.625
flat angles P-C4'-P energy: -23.821
tors. eta vs tors. theta energy: -46.574
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: 2
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -560.368426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.368426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.368426 (E_RNA)
where:
Base-Base interactions energy: -388.212
where: short stacking energy: -164.655
Base-Backbone interact. energy: -0.101
local terms energy: -172.055256
where:
bonds (distance) C4'-P energy: -32.715
bonds (distance) P-C4' energy: -35.836
flat angles C4'-P-C4' energy: -34.825
flat angles P-C4'-P energy: -23.834
tors. eta vs tors. theta energy: -44.846
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: 5
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -536.859286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.859286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.859286 (E_RNA)
where:
Base-Base interactions energy: -367.930
where: short stacking energy: -164.192
Base-Backbone interact. energy: -0.650
local terms energy: -168.279614
where:
bonds (distance) C4'-P energy: -28.428
bonds (distance) P-C4' energy: -35.232
flat angles C4'-P-C4' energy: -33.221
flat angles P-C4'-P energy: -27.263
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: 5, replica: 6
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -515.861690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.861690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.861690 (E_RNA)
where:
Base-Base interactions energy: -356.605
where: short stacking energy: -157.088
Base-Backbone interact. energy: -0.347
local terms energy: -158.910043
where:
bonds (distance) C4'-P energy: -25.199
bonds (distance) P-C4' energy: -29.763
flat angles C4'-P-C4' energy: -32.045
flat angles P-C4'-P energy: -26.613
tors. eta vs tors. theta energy: -45.289
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: 9
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -515.020087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.020087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.020087 (E_RNA)
where:
Base-Base interactions energy: -360.987
where: short stacking energy: -135.948
Base-Backbone interact. energy: -0.146
local terms energy: -153.887638
where:
bonds (distance) C4'-P energy: -36.833
bonds (distance) P-C4' energy: -25.282
flat angles C4'-P-C4' energy: -29.572
flat angles P-C4'-P energy: -18.278
tors. eta vs tors. theta energy: -43.924
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: 7, replica: 4
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -435.261974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.261974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.261974 (E_RNA)
where:
Base-Base interactions energy: -307.102
where: short stacking energy: -136.500
Base-Backbone interact. energy: -0.269
local terms energy: -127.890808
where:
bonds (distance) C4'-P energy: -26.407
bonds (distance) P-C4' energy: -26.738
flat angles C4'-P-C4' energy: -25.325
flat angles P-C4'-P energy: -19.758
tors. eta vs tors. theta energy: -29.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -379.447833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.447833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.447833 (E_RNA)
where:
Base-Base interactions energy: -257.266
where: short stacking energy: -119.715
Base-Backbone interact. energy: 2.018
local terms energy: -124.199663
where:
bonds (distance) C4'-P energy: -29.858
bonds (distance) P-C4' energy: -26.715
flat angles C4'-P-C4' energy: -26.920
flat angles P-C4'-P energy: -14.927
tors. eta vs tors. theta energy: -25.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -389.551721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.551721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.551721 (E_RNA)
where:
Base-Base interactions energy: -258.216
where: short stacking energy: -115.327
Base-Backbone interact. energy: -1.250
local terms energy: -130.085501
where:
bonds (distance) C4'-P energy: -25.858
bonds (distance) P-C4' energy: -29.982
flat angles C4'-P-C4' energy: -28.324
flat angles P-C4'-P energy: -16.568
tors. eta vs tors. theta energy: -29.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -338.118084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.118084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.118084 (E_RNA)
where:
Base-Base interactions energy: -223.295
where: short stacking energy: -106.579
Base-Backbone interact. energy: -0.694
local terms energy: -114.128940
where:
bonds (distance) C4'-P energy: -31.676
bonds (distance) P-C4' energy: -21.883
flat angles C4'-P-C4' energy: -28.349
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -21.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -592.224721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.224721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.224721 (E_RNA)
where:
Base-Base interactions energy: -416.109
where: short stacking energy: -183.703
Base-Backbone interact. energy: -0.748
local terms energy: -175.367470
where:
bonds (distance) C4'-P energy: -33.427
bonds (distance) P-C4' energy: -33.642
flat angles C4'-P-C4' energy: -31.799
flat angles P-C4'-P energy: -24.594
tors. eta vs tors. theta energy: -51.904
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: 274
Temperature: 0.950000
Total energy: -566.924091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.924091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.924091 (E_RNA)
where:
Base-Base interactions energy: -396.112
where: short stacking energy: -158.239
Base-Backbone interact. energy: -2.999
local terms energy: -167.812814
where:
bonds (distance) C4'-P energy: -31.071
bonds (distance) P-C4' energy: -29.103
flat angles C4'-P-C4' energy: -35.895
flat angles P-C4'-P energy: -26.139
tors. eta vs tors. theta energy: -45.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -554.552020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.552020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.552020 (E_RNA)
where:
Base-Base interactions energy: -385.937
where: short stacking energy: -170.427
Base-Backbone interact. energy: -0.640
local terms energy: -167.975022
where:
bonds (distance) C4'-P energy: -27.290
bonds (distance) P-C4' energy: -35.912
flat angles C4'-P-C4' energy: -37.500
flat angles P-C4'-P energy: -22.675
tors. eta vs tors. theta energy: -44.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -523.055143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.055143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.055143 (E_RNA)
where:
Base-Base interactions energy: -364.109
where: short stacking energy: -163.173
Base-Backbone interact. energy: -0.375
local terms energy: -158.570927
where:
bonds (distance) C4'-P energy: -25.092
bonds (distance) P-C4' energy: -30.918
flat angles C4'-P-C4' energy: -36.035
flat angles P-C4'-P energy: -22.418
tors. eta vs tors. theta energy: -44.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -538.335477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.335477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.335477 (E_RNA)
where:
Base-Base interactions energy: -377.794
where: short stacking energy: -151.841
Base-Backbone interact. energy: -0.676
local terms energy: -159.864963
where:
bonds (distance) C4'-P energy: -22.586
bonds (distance) P-C4' energy: -33.165
flat angles C4'-P-C4' energy: -32.935
flat angles P-C4'-P energy: -24.265
tors. eta vs tors. theta energy: -46.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -499.687537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.687537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.687537 (E_RNA)
where:
Base-Base interactions energy: -349.884
where: short stacking energy: -148.305
Base-Backbone interact. energy: -0.564
local terms energy: -149.239598
where:
bonds (distance) C4'-P energy: -29.526
bonds (distance) P-C4' energy: -19.981
flat angles C4'-P-C4' energy: -30.635
flat angles P-C4'-P energy: -24.458
tors. eta vs tors. theta energy: -44.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -442.956273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.956273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.956273 (E_RNA)
where:
Base-Base interactions energy: -309.421
where: short stacking energy: -127.509
Base-Backbone interact. energy: -2.630
local terms energy: -130.905184
where:
bonds (distance) C4'-P energy: -25.900
bonds (distance) P-C4' energy: -27.513
flat angles C4'-P-C4' energy: -21.748
flat angles P-C4'-P energy: -20.098
tors. eta vs tors. theta energy: -35.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -388.378508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.378508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.378508 (E_RNA)
where:
Base-Base interactions energy: -255.683
where: short stacking energy: -119.390
Base-Backbone interact. energy: -0.228
local terms energy: -132.467284
where:
bonds (distance) C4'-P energy: -26.095
bonds (distance) P-C4' energy: -29.377
flat angles C4'-P-C4' energy: -26.974
flat angles P-C4'-P energy: -24.541
tors. eta vs tors. theta energy: -25.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -395.234460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.234460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.234460 (E_RNA)
where:
Base-Base interactions energy: -268.996
where: short stacking energy: -129.455
Base-Backbone interact. energy: -0.510
local terms energy: -125.728798
where:
bonds (distance) C4'-P energy: -25.695
bonds (distance) P-C4' energy: -25.590
flat angles C4'-P-C4' energy: -26.253
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -37.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -366.353547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.353547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.353547 (E_RNA)
where:
Base-Base interactions energy: -252.266
where: short stacking energy: -111.861
Base-Backbone interact. energy: -0.091
local terms energy: -113.996511
where:
bonds (distance) C4'-P energy: -31.935
bonds (distance) P-C4' energy: -18.070
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -17.775
tors. eta vs tors. theta energy: -27.654
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: 8
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -587.863854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.863854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.863854 (E_RNA)
where:
Base-Base interactions energy: -420.499
where: short stacking energy: -174.640
Base-Backbone interact. energy: 1.359
local terms energy: -168.723781
where:
bonds (distance) C4'-P energy: -30.854
bonds (distance) P-C4' energy: -28.232
flat angles C4'-P-C4' energy: -37.106
flat angles P-C4'-P energy: -23.171
tors. eta vs tors. theta energy: -49.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -566.207017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.207017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.207017 (E_RNA)
where:
Base-Base interactions energy: -402.813
where: short stacking energy: -161.582
Base-Backbone interact. energy: -0.119
local terms energy: -163.275819
where:
bonds (distance) C4'-P energy: -33.249
bonds (distance) P-C4' energy: -28.783
flat angles C4'-P-C4' energy: -33.476
flat angles P-C4'-P energy: -22.328
tors. eta vs tors. theta energy: -45.440
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: 5
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -552.947096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.947096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.947096 (E_RNA)
where:
Base-Base interactions energy: -380.397
where: short stacking energy: -165.583
Base-Backbone interact. energy: -0.685
local terms energy: -171.865321
where:
bonds (distance) C4'-P energy: -29.427
bonds (distance) P-C4' energy: -37.587
flat angles C4'-P-C4' energy: -35.382
flat angles P-C4'-P energy: -23.854
tors. eta vs tors. theta energy: -45.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -552.736770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.736770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.736770 (E_RNA)
where:
Base-Base interactions energy: -397.047
where: short stacking energy: -167.866
Base-Backbone interact. energy: -0.288
local terms energy: -155.402105
where:
bonds (distance) C4'-P energy: -27.722
bonds (distance) P-C4' energy: -25.303
flat angles C4'-P-C4' energy: -32.855
flat angles P-C4'-P energy: -22.295
tors. eta vs tors. theta energy: -47.227
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: 5, replica: 2
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -529.604869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.604869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.604869 (E_RNA)
where:
Base-Base interactions energy: -363.177
where: short stacking energy: -165.243
Base-Backbone interact. energy: -0.978
local terms energy: -165.450076
where:
bonds (distance) C4'-P energy: -30.512
bonds (distance) P-C4' energy: -28.001
flat angles C4'-P-C4' energy: -37.300
flat angles P-C4'-P energy: -22.817
tors. eta vs tors. theta energy: -46.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -513.364749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.364749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.364749 (E_RNA)
where:
Base-Base interactions energy: -356.379
where: short stacking energy: -153.345
Base-Backbone interact. energy: -0.210
local terms energy: -156.776362
where:
bonds (distance) C4'-P energy: -23.843
bonds (distance) P-C4' energy: -38.920
flat angles C4'-P-C4' energy: -26.953
flat angles P-C4'-P energy: -24.559
tors. eta vs tors. theta energy: -42.501
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: 4
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -461.363414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.363414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.363414 (E_RNA)
where:
Base-Base interactions energy: -320.603
where: short stacking energy: -138.671
Base-Backbone interact. energy: 0.437
local terms energy: -141.198004
where:
bonds (distance) C4'-P energy: -25.127
bonds (distance) P-C4' energy: -24.444
flat angles C4'-P-C4' energy: -32.210
flat angles P-C4'-P energy: -23.416
tors. eta vs tors. theta energy: -36.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -377.328796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.328796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.328796 (E_RNA)
where:
Base-Base interactions energy: -240.160
where: short stacking energy: -117.488
Base-Backbone interact. energy: -2.078
local terms energy: -135.090332
where:
bonds (distance) C4'-P energy: -23.154
bonds (distance) P-C4' energy: -27.880
flat angles C4'-P-C4' energy: -29.981
flat angles P-C4'-P energy: -23.460
tors. eta vs tors. theta energy: -30.615
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: 1
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -430.699122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.699122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.699122 (E_RNA)
where:
Base-Base interactions energy: -302.266
where: short stacking energy: -120.650
Base-Backbone interact. energy: -1.059
local terms energy: -127.374924
where:
bonds (distance) C4'-P energy: -29.351
bonds (distance) P-C4' energy: -25.399
flat angles C4'-P-C4' energy: -32.368
flat angles P-C4'-P energy: -15.639
tors. eta vs tors. theta energy: -24.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -308.033094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.033094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.033094 (E_RNA)
where:
Base-Base interactions energy: -199.467
where: short stacking energy: -96.270
Base-Backbone interact. energy: -0.831
local terms energy: -107.734372
where:
bonds (distance) C4'-P energy: -22.123
bonds (distance) P-C4' energy: -22.081
flat angles C4'-P-C4' energy: -27.346
flat angles P-C4'-P energy: -17.334
tors. eta vs tors. theta energy: -18.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -589.516174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.516174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.516174 (E_RNA)
where:
Base-Base interactions energy: -406.592
where: short stacking energy: -173.338
Base-Backbone interact. energy: -0.861
local terms energy: -182.062960
where:
bonds (distance) C4'-P energy: -33.973
bonds (distance) P-C4' energy: -34.498
flat angles C4'-P-C4' energy: -36.647
flat angles P-C4'-P energy: -26.582
tors. eta vs tors. theta energy: -50.362
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: 8
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -572.224031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.224031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.224031 (E_RNA)
where:
Base-Base interactions energy: -403.392
where: short stacking energy: -175.658
Base-Backbone interact. energy: -0.772
local terms energy: -168.060139
where:
bonds (distance) C4'-P energy: -31.498
bonds (distance) P-C4' energy: -31.346
flat angles C4'-P-C4' energy: -35.806
flat angles P-C4'-P energy: -17.953
tors. eta vs tors. theta energy: -51.458
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: 5
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -554.885404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.885404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.885404 (E_RNA)
where:
Base-Base interactions energy: -393.445
where: short stacking energy: -159.295
Base-Backbone interact. energy: -0.188
local terms energy: -161.251518
where:
bonds (distance) C4'-P energy: -29.645
bonds (distance) P-C4' energy: -28.899
flat angles C4'-P-C4' energy: -35.475
flat angles P-C4'-P energy: -23.975
tors. eta vs tors. theta energy: -43.258
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: 9
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -559.262386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.262386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.262386 (E_RNA)
where:
Base-Base interactions energy: -396.248
where: short stacking energy: -168.303
Base-Backbone interact. energy: -0.188
local terms energy: -162.825864
where:
bonds (distance) C4'-P energy: -20.847
bonds (distance) P-C4' energy: -32.731
flat angles C4'-P-C4' energy: -36.364
flat angles P-C4'-P energy: -21.038
tors. eta vs tors. theta energy: -51.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -524.398305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.398305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.398305 (E_RNA)
where:
Base-Base interactions energy: -364.112
where: short stacking energy: -161.578
Base-Backbone interact. energy: -0.330
local terms energy: -159.956593
where:
bonds (distance) C4'-P energy: -30.321
bonds (distance) P-C4' energy: -31.361
flat angles C4'-P-C4' energy: -34.306
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -50.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -513.515933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.515933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.515933 (E_RNA)
where:
Base-Base interactions energy: -351.465
where: short stacking energy: -151.959
Base-Backbone interact. energy: -0.432
local terms energy: -161.619093
where:
bonds (distance) C4'-P energy: -27.955
bonds (distance) P-C4' energy: -36.521
flat angles C4'-P-C4' energy: -33.235
flat angles P-C4'-P energy: -18.719
tors. eta vs tors. theta energy: -45.188
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: 4
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -477.497048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.497048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.497048 (E_RNA)
where:
Base-Base interactions energy: -331.018
where: short stacking energy: -146.815
Base-Backbone interact. energy: -0.685
local terms energy: -145.793198
where:
bonds (distance) C4'-P energy: -20.211
bonds (distance) P-C4' energy: -31.578
flat angles C4'-P-C4' energy: -33.044
flat angles P-C4'-P energy: -23.014
tors. eta vs tors. theta energy: -37.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -397.331290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.331290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.331290 (E_RNA)
where:
Base-Base interactions energy: -260.663
where: short stacking energy: -109.211
Base-Backbone interact. energy: -0.359
local terms energy: -136.308622
where:
bonds (distance) C4'-P energy: -28.586
bonds (distance) P-C4' energy: -30.486
flat angles C4'-P-C4' energy: -27.243
flat angles P-C4'-P energy: -20.051
tors. eta vs tors. theta energy: -29.943
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: 10
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -360.217419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.217419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.217419 (E_RNA)
where:
Base-Base interactions energy: -245.447
where: short stacking energy: -104.026
Base-Backbone interact. energy: -0.903
local terms energy: -113.867212
where:
bonds (distance) C4'-P energy: -25.398
bonds (distance) P-C4' energy: -24.460
flat angles C4'-P-C4' energy: -33.592
flat angles P-C4'-P energy: -14.936
tors. eta vs tors. theta energy: -15.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -389.622797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.622797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.622797 (E_RNA)
where:
Base-Base interactions energy: -284.086
where: short stacking energy: -124.058
Base-Backbone interact. energy: -0.742
local terms energy: -104.794452
where:
bonds (distance) C4'-P energy: -18.512
bonds (distance) P-C4' energy: -22.814
flat angles C4'-P-C4' energy: -28.560
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -23.326
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: 7
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -580.331456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.331456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.331456 (E_RNA)
where:
Base-Base interactions energy: -403.092
where: short stacking energy: -167.679
Base-Backbone interact. energy: -0.685
local terms energy: -176.553935
where:
bonds (distance) C4'-P energy: -36.156
bonds (distance) P-C4' energy: -31.893
flat angles C4'-P-C4' energy: -31.918
flat angles P-C4'-P energy: -28.361
tors. eta vs tors. theta energy: -48.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -580.985621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.985621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.985621 (E_RNA)
where:
Base-Base interactions energy: -405.409
where: short stacking energy: -186.282
Base-Backbone interact. energy: -0.543
local terms energy: -175.033686
where:
bonds (distance) C4'-P energy: -35.576
bonds (distance) P-C4' energy: -31.782
flat angles C4'-P-C4' energy: -32.323
flat angles P-C4'-P energy: -20.970
tors. eta vs tors. theta energy: -54.383
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: 5
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -556.224759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.224759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.224759 (E_RNA)
where:
Base-Base interactions energy: -386.621
where: short stacking energy: -167.777
Base-Backbone interact. energy: 0.241
local terms energy: -169.844783
where:
bonds (distance) C4'-P energy: -30.913
bonds (distance) P-C4' energy: -32.643
flat angles C4'-P-C4' energy: -35.174
flat angles P-C4'-P energy: -25.425
tors. eta vs tors. theta energy: -45.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -534.559974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.559974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.559974 (E_RNA)
where:
Base-Base interactions energy: -365.431
where: short stacking energy: -172.341
Base-Backbone interact. energy: -0.057
local terms energy: -169.072021
where:
bonds (distance) C4'-P energy: -31.323
bonds (distance) P-C4' energy: -30.261
flat angles C4'-P-C4' energy: -34.236
flat angles P-C4'-P energy: -24.091
tors. eta vs tors. theta energy: -49.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -558.231863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.231863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.231863 (E_RNA)
where:
Base-Base interactions energy: -387.504
where: short stacking energy: -147.986
Base-Backbone interact. energy: -0.364
local terms energy: -170.363401
where:
bonds (distance) C4'-P energy: -29.961
bonds (distance) P-C4' energy: -38.116
flat angles C4'-P-C4' energy: -35.690
flat angles P-C4'-P energy: -23.675
tors. eta vs tors. theta energy: -42.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -515.826485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.826485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.826485 (E_RNA)
where:
Base-Base interactions energy: -358.555
where: short stacking energy: -150.641
Base-Backbone interact. energy: -0.438
local terms energy: -156.833684
where:
bonds (distance) C4'-P energy: -26.729
bonds (distance) P-C4' energy: -34.085
flat angles C4'-P-C4' energy: -31.644
flat angles P-C4'-P energy: -21.745
tors. eta vs tors. theta energy: -42.631
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: 4
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -465.363446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.363446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.363446 (E_RNA)
where:
Base-Base interactions energy: -313.771
where: short stacking energy: -142.878
Base-Backbone interact. energy: 0.315
local terms energy: -151.907047
where:
bonds (distance) C4'-P energy: -24.460
bonds (distance) P-C4' energy: -36.073
flat angles C4'-P-C4' energy: -31.294
flat angles P-C4'-P energy: -20.337
tors. eta vs tors. theta energy: -39.743
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: 8, replica: 10
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -390.234351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.234351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.234351 (E_RNA)
where:
Base-Base interactions energy: -269.765
where: short stacking energy: -107.483
Base-Backbone interact. energy: -2.800
local terms energy: -117.669600
where:
bonds (distance) C4'-P energy: -27.691
bonds (distance) P-C4' energy: -26.280
flat angles C4'-P-C4' energy: -30.401
flat angles P-C4'-P energy: -14.071
tors. eta vs tors. theta energy: -19.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -324.476217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.476217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.476217 (E_RNA)
where:
Base-Base interactions energy: -217.427
where: short stacking energy: -104.714
Base-Backbone interact. energy: -0.989
local terms energy: -106.059457
where:
bonds (distance) C4'-P energy: -22.758
bonds (distance) P-C4' energy: -29.086
flat angles C4'-P-C4' energy: -22.282
flat angles P-C4'-P energy: -16.512
tors. eta vs tors. theta energy: -15.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -335.918431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.918431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.918431 (E_RNA)
where:
Base-Base interactions energy: -209.509
where: short stacking energy: -107.491
Base-Backbone interact. energy: 2.192
local terms energy: -128.601432
where:
bonds (distance) C4'-P energy: -30.843
bonds (distance) P-C4' energy: -33.235
flat angles C4'-P-C4' energy: -29.969
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -23.992
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: 8
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -574.266205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.266205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.266205 (E_RNA)
where:
Base-Base interactions energy: -412.053
where: short stacking energy: -177.380
Base-Backbone interact. energy: -0.705
local terms energy: -161.508904
where:
bonds (distance) C4'-P energy: -23.746
bonds (distance) P-C4' energy: -28.518
flat angles C4'-P-C4' energy: -34.577
flat angles P-C4'-P energy: -25.687
tors. eta vs tors. theta energy: -48.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -572.032050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.032050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.032050 (E_RNA)
where:
Base-Base interactions energy: -402.238
where: short stacking energy: -170.708
Base-Backbone interact. energy: -1.337
local terms energy: -168.457331
where:
bonds (distance) C4'-P energy: -21.561
bonds (distance) P-C4' energy: -33.778
flat angles C4'-P-C4' energy: -35.879
flat angles P-C4'-P energy: -27.734
tors. eta vs tors. theta energy: -49.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -538.114578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.114578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.114578 (E_RNA)
where:
Base-Base interactions energy: -369.770
where: short stacking energy: -163.190
Base-Backbone interact. energy: -0.666
local terms energy: -167.678063
where:
bonds (distance) C4'-P energy: -30.069
bonds (distance) P-C4' energy: -33.035
flat angles C4'-P-C4' energy: -31.271
flat angles P-C4'-P energy: -29.703
tors. eta vs tors. theta energy: -43.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -530.410303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.410303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.410303 (E_RNA)
where:
Base-Base interactions energy: -374.943
where: short stacking energy: -159.503
Base-Backbone interact. energy: -0.076
local terms energy: -155.391370
where:
bonds (distance) C4'-P energy: -30.903
bonds (distance) P-C4' energy: -29.251
flat angles C4'-P-C4' energy: -34.422
flat angles P-C4'-P energy: -19.000
tors. eta vs tors. theta energy: -41.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -545.547113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.547113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.547113 (E_RNA)
where:
Base-Base interactions energy: -386.694
where: short stacking energy: -156.043
Base-Backbone interact. energy: -0.320
local terms energy: -158.533250
where:
bonds (distance) C4'-P energy: -26.350
bonds (distance) P-C4' energy: -27.176
flat angles C4'-P-C4' energy: -34.686
flat angles P-C4'-P energy: -25.092
tors. eta vs tors. theta energy: -45.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -538.244328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.244328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.244328 (E_RNA)
where:
Base-Base interactions energy: -379.131
where: short stacking energy: -167.630
Base-Backbone interact. energy: -0.336
local terms energy: -158.777154
where:
bonds (distance) C4'-P energy: -26.046
bonds (distance) P-C4' energy: -33.286
flat angles C4'-P-C4' energy: -31.328
flat angles P-C4'-P energy: -25.098
tors. eta vs tors. theta energy: -43.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -447.824112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.824112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.824112 (E_RNA)
where:
Base-Base interactions energy: -300.572
where: short stacking energy: -127.060
Base-Backbone interact. energy: 0.419
local terms energy: -147.671277
where:
bonds (distance) C4'-P energy: -32.206
bonds (distance) P-C4' energy: -30.905
flat angles C4'-P-C4' energy: -35.037
flat angles P-C4'-P energy: -14.937
tors. eta vs tors. theta energy: -34.586
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: 8, replica: 10
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -407.964398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.964398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.964398 (E_RNA)
where:
Base-Base interactions energy: -272.407
where: short stacking energy: -124.368
Base-Backbone interact. energy: -0.659
local terms energy: -134.899001
where:
bonds (distance) C4'-P energy: -31.418
bonds (distance) P-C4' energy: -27.146
flat angles C4'-P-C4' energy: -35.130
flat angles P-C4'-P energy: -14.764
tors. eta vs tors. theta energy: -26.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -362.543976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.543976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.543976 (E_RNA)
where:
Base-Base interactions energy: -246.890
where: short stacking energy: -113.092
Base-Backbone interact. energy: -0.460
local terms energy: -115.193822
where:
bonds (distance) C4'-P energy: -25.565
bonds (distance) P-C4' energy: -21.977
flat angles C4'-P-C4' energy: -18.928
flat angles P-C4'-P energy: -15.164
tors. eta vs tors. theta energy: -33.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -313.368159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.368159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.368159 (E_RNA)
where:
Base-Base interactions energy: -196.076
where: short stacking energy: -101.712
Base-Backbone interact. energy: -0.256
local terms energy: -117.036906
where:
bonds (distance) C4'-P energy: -29.164
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -27.654
flat angles P-C4'-P energy: -20.148
tors. eta vs tors. theta energy: -23.387
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: 1, replica: 8
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -578.187773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.187773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.187773 (E_RNA)
where:
Base-Base interactions energy: -410.654
where: short stacking energy: -175.437
Base-Backbone interact. energy: -0.417
local terms energy: -167.117396
where:
bonds (distance) C4'-P energy: -33.216
bonds (distance) P-C4' energy: -29.908
flat angles C4'-P-C4' energy: -35.617
flat angles P-C4'-P energy: -21.600
tors. eta vs tors. theta energy: -46.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -563.668900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.668900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.668900 (E_RNA)
where:
Base-Base interactions energy: -402.697
where: short stacking energy: -172.591
Base-Backbone interact. energy: -1.307
local terms energy: -159.664454
where:
bonds (distance) C4'-P energy: -34.059
bonds (distance) P-C4' energy: -35.570
flat angles C4'-P-C4' energy: -29.188
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -48.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -538.237026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.237026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.237026 (E_RNA)
where:
Base-Base interactions energy: -369.537
where: short stacking energy: -162.774
Base-Backbone interact. energy: -0.286
local terms energy: -168.413461
where:
bonds (distance) C4'-P energy: -34.475
bonds (distance) P-C4' energy: -29.857
flat angles C4'-P-C4' energy: -32.886
flat angles P-C4'-P energy: -23.458
tors. eta vs tors. theta energy: -47.736
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: 9
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -577.874147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.874147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.874147 (E_RNA)
where:
Base-Base interactions energy: -405.738
where: short stacking energy: -169.451
Base-Backbone interact. energy: -0.479
local terms energy: -171.656922
where:
bonds (distance) C4'-P energy: -34.226
bonds (distance) P-C4' energy: -33.176
flat angles C4'-P-C4' energy: -31.143
flat angles P-C4'-P energy: -21.718
tors. eta vs tors. theta energy: -51.394
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: 5, replica: 5
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -541.283789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.283789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.283789 (E_RNA)
where:
Base-Base interactions energy: -383.281
where: short stacking energy: -171.759
Base-Backbone interact. energy: -0.177
local terms energy: -157.825923
where:
bonds (distance) C4'-P energy: -26.063
bonds (distance) P-C4' energy: -27.442
flat angles C4'-P-C4' energy: -32.831
flat angles P-C4'-P energy: -26.835
tors. eta vs tors. theta energy: -44.655
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: 6, replica: 2
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -525.346977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.346977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.346977 (E_RNA)
where:
Base-Base interactions energy: -369.216
where: short stacking energy: -167.592
Base-Backbone interact. energy: 0.713
local terms energy: -156.844408
where:
bonds (distance) C4'-P energy: -25.308
bonds (distance) P-C4' energy: -36.586
flat angles C4'-P-C4' energy: -29.641
flat angles P-C4'-P energy: -18.318
tors. eta vs tors. theta energy: -46.992
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: 4
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -450.865749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.865749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.865749 (E_RNA)
where:
Base-Base interactions energy: -289.126
where: short stacking energy: -130.789
Base-Backbone interact. energy: -0.015
local terms energy: -161.724886
where:
bonds (distance) C4'-P energy: -34.054
bonds (distance) P-C4' energy: -37.458
flat angles C4'-P-C4' energy: -35.790
flat angles P-C4'-P energy: -19.722
tors. eta vs tors. theta energy: -34.701
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: 8, replica: 10
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -448.317160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.317160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.317160 (E_RNA)
where:
Base-Base interactions energy: -309.508
where: short stacking energy: -134.303
Base-Backbone interact. energy: -0.520
local terms energy: -138.289040
where:
bonds (distance) C4'-P energy: -31.190
bonds (distance) P-C4' energy: -24.370
flat angles C4'-P-C4' energy: -27.271
flat angles P-C4'-P energy: -20.746
tors. eta vs tors. theta energy: -34.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -384.299598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.299598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.299598 (E_RNA)
where:
Base-Base interactions energy: -251.338
where: short stacking energy: -119.407
Base-Backbone interact. energy: -1.057
local terms energy: -131.904749
where:
bonds (distance) C4'-P energy: -24.532
bonds (distance) P-C4' energy: -24.300
flat angles C4'-P-C4' energy: -30.782
flat angles P-C4'-P energy: -21.641
tors. eta vs tors. theta energy: -30.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -306.582600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.582600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.582600 (E_RNA)
where:
Base-Base interactions energy: -190.695
where: short stacking energy: -93.337
Base-Backbone interact. energy: -0.410
local terms energy: -115.477527
where:
bonds (distance) C4'-P energy: -33.369
bonds (distance) P-C4' energy: -23.573
flat angles C4'-P-C4' energy: -23.801
flat angles P-C4'-P energy: -15.478
tors. eta vs tors. theta energy: -19.257
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: 280
Temperature: 0.900000
Total energy: -574.465391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.465391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.465391 (E_RNA)
where:
Base-Base interactions energy: -404.697
where: short stacking energy: -176.218
Base-Backbone interact. energy: -0.853
local terms energy: -168.915872
where:
bonds (distance) C4'-P energy: -32.473
bonds (distance) P-C4' energy: -35.049
flat angles C4'-P-C4' energy: -30.816
flat angles P-C4'-P energy: -25.066
tors. eta vs tors. theta energy: -45.513
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: 2, replica: 8
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -572.141526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.141526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.141526 (E_RNA)
where:
Base-Base interactions energy: -397.259
where: short stacking energy: -168.686
Base-Backbone interact. energy: -1.256
local terms energy: -173.626650
where:
bonds (distance) C4'-P energy: -31.906
bonds (distance) P-C4' energy: -26.923
flat angles C4'-P-C4' energy: -36.983
flat angles P-C4'-P energy: -27.388
tors. eta vs tors. theta energy: -50.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -570.975944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.975944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.975944 (E_RNA)
where:
Base-Base interactions energy: -399.737
where: short stacking energy: -160.807
Base-Backbone interact. energy: -0.848
local terms energy: -170.391131
where:
bonds (distance) C4'-P energy: -35.633
bonds (distance) P-C4' energy: -28.442
flat angles C4'-P-C4' energy: -37.701
flat angles P-C4'-P energy: -22.202
tors. eta vs tors. theta energy: -46.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -541.824541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.824541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.824541 (E_RNA)
where:
Base-Base interactions energy: -370.712
where: short stacking energy: -182.950
Base-Backbone interact. energy: -0.745
local terms energy: -170.367865
where:
bonds (distance) C4'-P energy: -25.588
bonds (distance) P-C4' energy: -34.343
flat angles C4'-P-C4' energy: -33.057
flat angles P-C4'-P energy: -25.537
tors. eta vs tors. theta energy: -51.844
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: 5, replica: 2
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -543.582228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.582228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.582228 (E_RNA)
where:
Base-Base interactions energy: -378.907
where: short stacking energy: -163.782
Base-Backbone interact. energy: -0.958
local terms energy: -163.717108
where:
bonds (distance) C4'-P energy: -29.279
bonds (distance) P-C4' energy: -33.287
flat angles C4'-P-C4' energy: -32.522
flat angles P-C4'-P energy: -21.971
tors. eta vs tors. theta energy: -46.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -523.871865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.871865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.871865 (E_RNA)
where:
Base-Base interactions energy: -379.921
where: short stacking energy: -155.658
Base-Backbone interact. energy: -0.088
local terms energy: -143.863027
where:
bonds (distance) C4'-P energy: -24.369
bonds (distance) P-C4' energy: -27.756
flat angles C4'-P-C4' energy: -29.651
flat angles P-C4'-P energy: -22.347
tors. eta vs tors. theta energy: -39.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -432.074718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.074718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.074718 (E_RNA)
where:
Base-Base interactions energy: -310.780
where: short stacking energy: -139.155
Base-Backbone interact. energy: 0.848
local terms energy: -122.143018
where:
bonds (distance) C4'-P energy: -29.049
bonds (distance) P-C4' energy: -21.065
flat angles C4'-P-C4' energy: -27.195
flat angles P-C4'-P energy: -17.048
tors. eta vs tors. theta energy: -27.785
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: 4
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -463.254423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.254423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.254423 (E_RNA)
where:
Base-Base interactions energy: -318.111
where: short stacking energy: -150.904
Base-Backbone interact. energy: 3.050
local terms energy: -148.194140
where:
bonds (distance) C4'-P energy: -21.682
bonds (distance) P-C4' energy: -31.502
flat angles C4'-P-C4' energy: -27.591
flat angles P-C4'-P energy: -29.051
tors. eta vs tors. theta energy: -38.367
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: 3
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -357.053817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.053817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.053817 (E_RNA)
where:
Base-Base interactions energy: -225.100
where: short stacking energy: -109.741
Base-Backbone interact. energy: 1.754
local terms energy: -133.707534
where:
bonds (distance) C4'-P energy: -24.771
bonds (distance) P-C4' energy: -31.724
flat angles C4'-P-C4' energy: -35.027
flat angles P-C4'-P energy: -20.489
tors. eta vs tors. theta energy: -21.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -294.524581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.524581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.524581 (E_RNA)
where:
Base-Base interactions energy: -175.946
where: short stacking energy: -88.500
Base-Backbone interact. energy: -0.398
local terms energy: -118.180868
where:
bonds (distance) C4'-P energy: -29.479
bonds (distance) P-C4' energy: -25.111
flat angles C4'-P-C4' energy: -30.452
flat angles P-C4'-P energy: -15.251
tors. eta vs tors. theta energy: -17.888
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: 281
Temperature: 0.900000
Total energy: -567.856245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.856245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.856245 (E_RNA)
where:
Base-Base interactions energy: -404.744
where: short stacking energy: -160.262
Base-Backbone interact. energy: -0.317
local terms energy: -162.795468
where:
bonds (distance) C4'-P energy: -30.698
bonds (distance) P-C4' energy: -30.161
flat angles C4'-P-C4' energy: -29.758
flat angles P-C4'-P energy: -29.259
tors. eta vs tors. theta energy: -42.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -572.390283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.390283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.390283 (E_RNA)
where:
Base-Base interactions energy: -405.020
where: short stacking energy: -170.835
Base-Backbone interact. energy: -0.027
local terms energy: -167.343698
where:
bonds (distance) C4'-P energy: -31.297
bonds (distance) P-C4' energy: -29.549
flat angles C4'-P-C4' energy: -35.086
flat angles P-C4'-P energy: -22.353
tors. eta vs tors. theta energy: -49.059
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: 8
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -564.660578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.660578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.660578 (E_RNA)
where:
Base-Base interactions energy: -399.718
where: short stacking energy: -169.480
Base-Backbone interact. energy: 1.180
local terms energy: -166.122286
where:
bonds (distance) C4'-P energy: -26.782
bonds (distance) P-C4' energy: -32.094
flat angles C4'-P-C4' energy: -37.157
flat angles P-C4'-P energy: -19.953
tors. eta vs tors. theta energy: -50.136
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: 2
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -544.800184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.800184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.800184 (E_RNA)
where:
Base-Base interactions energy: -374.983
where: short stacking energy: -166.976
Base-Backbone interact. energy: -0.565
local terms energy: -169.252262
where:
bonds (distance) C4'-P energy: -31.272
bonds (distance) P-C4' energy: -27.623
flat angles C4'-P-C4' energy: -38.143
flat angles P-C4'-P energy: -27.963
tors. eta vs tors. theta energy: -44.251
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: 5, replica: 6
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -534.183952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.183952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.183952 (E_RNA)
where:
Base-Base interactions energy: -371.139
where: short stacking energy: -163.857
Base-Backbone interact. energy: -0.568
local terms energy: -162.477480
where:
bonds (distance) C4'-P energy: -29.113
bonds (distance) P-C4' energy: -33.422
flat angles C4'-P-C4' energy: -34.378
flat angles P-C4'-P energy: -21.119
tors. eta vs tors. theta energy: -44.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -531.618375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.618375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.618375 (E_RNA)
where:
Base-Base interactions energy: -372.508
where: short stacking energy: -169.410
Base-Backbone interact. energy: -0.034
local terms energy: -159.076669
where:
bonds (distance) C4'-P energy: -30.822
bonds (distance) P-C4' energy: -28.971
flat angles C4'-P-C4' energy: -34.865
flat angles P-C4'-P energy: -20.398
tors. eta vs tors. theta energy: -44.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -450.780464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.780464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.780464 (E_RNA)
where:
Base-Base interactions energy: -298.792
where: short stacking energy: -126.978
Base-Backbone interact. energy: 0.482
local terms energy: -152.470221
where:
bonds (distance) C4'-P energy: -31.390
bonds (distance) P-C4' energy: -29.797
flat angles C4'-P-C4' energy: -35.001
flat angles P-C4'-P energy: -24.597
tors. eta vs tors. theta energy: -31.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -450.312082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.312082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.312082 (E_RNA)
where:
Base-Base interactions energy: -310.427
where: short stacking energy: -146.023
Base-Backbone interact. energy: -0.133
local terms energy: -139.751689
where:
bonds (distance) C4'-P energy: -30.976
bonds (distance) P-C4' energy: -28.296
flat angles C4'-P-C4' energy: -30.256
flat angles P-C4'-P energy: -15.967
tors. eta vs tors. theta energy: -34.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -374.356549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.356549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.356549 (E_RNA)
where:
Base-Base interactions energy: -239.487
where: short stacking energy: -114.264
Base-Backbone interact. energy: -0.392
local terms energy: -134.477701
where:
bonds (distance) C4'-P energy: -26.691
bonds (distance) P-C4' energy: -31.082
flat angles C4'-P-C4' energy: -35.455
flat angles P-C4'-P energy: -16.058
tors. eta vs tors. theta energy: -25.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -319.697554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.697554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.697554 (E_RNA)
where:
Base-Base interactions energy: -206.759
where: short stacking energy: -106.805
Base-Backbone interact. energy: 3.111
local terms energy: -116.049571
where:
bonds (distance) C4'-P energy: -20.969
bonds (distance) P-C4' energy: -23.830
flat angles C4'-P-C4' energy: -29.330
flat angles P-C4'-P energy: -17.799
tors. eta vs tors. theta energy: -24.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -592.020845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.020845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.020845 (E_RNA)
where:
Base-Base interactions energy: -416.509
where: short stacking energy: -167.084
Base-Backbone interact. energy: -0.476
local terms energy: -175.035339
where:
bonds (distance) C4'-P energy: -32.010
bonds (distance) P-C4' energy: -34.503
flat angles C4'-P-C4' energy: -37.422
flat angles P-C4'-P energy: -24.529
tors. eta vs tors. theta energy: -46.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -571.340219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.340219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.340219 (E_RNA)
where:
Base-Base interactions energy: -400.562
where: short stacking energy: -164.530
Base-Backbone interact. energy: -3.360
local terms energy: -167.418271
where:
bonds (distance) C4'-P energy: -29.432
bonds (distance) P-C4' energy: -35.702
flat angles C4'-P-C4' energy: -33.595
flat angles P-C4'-P energy: -19.353
tors. eta vs tors. theta energy: -49.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -554.239108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.239108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.239108 (E_RNA)
where:
Base-Base interactions energy: -395.845
where: short stacking energy: -173.070
Base-Backbone interact. energy: -0.227
local terms energy: -158.167169
where:
bonds (distance) C4'-P energy: -27.859
bonds (distance) P-C4' energy: -29.997
flat angles C4'-P-C4' energy: -34.629
flat angles P-C4'-P energy: -20.310
tors. eta vs tors. theta energy: -45.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -568.144642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.144642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.144642 (E_RNA)
where:
Base-Base interactions energy: -388.865
where: short stacking energy: -169.410
Base-Backbone interact. energy: -0.474
local terms energy: -178.805027
where:
bonds (distance) C4'-P energy: -29.432
bonds (distance) P-C4' energy: -37.718
flat angles C4'-P-C4' energy: -32.227
flat angles P-C4'-P energy: -29.184
tors. eta vs tors. theta energy: -50.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -542.210530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.210530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.210530 (E_RNA)
where:
Base-Base interactions energy: -378.328
where: short stacking energy: -179.233
Base-Backbone interact. energy: 1.601
local terms energy: -165.483319
where:
bonds (distance) C4'-P energy: -33.463
bonds (distance) P-C4' energy: -30.269
flat angles C4'-P-C4' energy: -31.400
flat angles P-C4'-P energy: -17.482
tors. eta vs tors. theta energy: -52.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -515.764019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.764019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.764019 (E_RNA)
where:
Base-Base interactions energy: -366.949
where: short stacking energy: -159.782
Base-Backbone interact. energy: 0.058
local terms energy: -148.873835
where:
bonds (distance) C4'-P energy: -21.197
bonds (distance) P-C4' energy: -26.279
flat angles C4'-P-C4' energy: -36.385
flat angles P-C4'-P energy: -19.981
tors. eta vs tors. theta energy: -45.031
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: 7, replica: 4
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -456.598453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.598453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.598453 (E_RNA)
where:
Base-Base interactions energy: -311.033
where: short stacking energy: -134.282
Base-Backbone interact. energy: -0.334
local terms energy: -145.231754
where:
bonds (distance) C4'-P energy: -31.182
bonds (distance) P-C4' energy: -31.339
flat angles C4'-P-C4' energy: -28.964
flat angles P-C4'-P energy: -20.495
tors. eta vs tors. theta energy: -33.251
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: 282
Temperature: 1.250000
Total energy: -443.521729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.521729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.521729 (E_RNA)
where:
Base-Base interactions energy: -306.226
where: short stacking energy: -131.203
Base-Backbone interact. energy: -1.219
local terms energy: -136.077094
where:
bonds (distance) C4'-P energy: -25.039
bonds (distance) P-C4' energy: -22.260
flat angles C4'-P-C4' energy: -36.141
flat angles P-C4'-P energy: -18.729
tors. eta vs tors. theta energy: -33.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -368.857577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.857577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.857577 (E_RNA)
where:
Base-Base interactions energy: -237.156
where: short stacking energy: -119.736
Base-Backbone interact. energy: -0.152
local terms energy: -131.550046
where:
bonds (distance) C4'-P energy: -24.578
bonds (distance) P-C4' energy: -29.216
flat angles C4'-P-C4' energy: -27.849
flat angles P-C4'-P energy: -16.762
tors. eta vs tors. theta energy: -33.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -316.419495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.419495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.419495 (E_RNA)
where:
Base-Base interactions energy: -211.285
where: short stacking energy: -106.461
Base-Backbone interact. energy: 0.343
local terms energy: -105.478222
where:
bonds (distance) C4'-P energy: -18.593
bonds (distance) P-C4' energy: -26.342
flat angles C4'-P-C4' energy: -30.103
flat angles P-C4'-P energy: -15.294
tors. eta vs tors. theta energy: -15.145
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: 9
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -586.173730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.173730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.173730 (E_RNA)
where:
Base-Base interactions energy: -410.184
where: short stacking energy: -169.676
Base-Backbone interact. energy: -0.256
local terms energy: -175.733810
where:
bonds (distance) C4'-P energy: -30.001
bonds (distance) P-C4' energy: -29.934
flat angles C4'-P-C4' energy: -38.710
flat angles P-C4'-P energy: -24.480
tors. eta vs tors. theta energy: -52.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -560.456355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.456355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.456355 (E_RNA)
where:
Base-Base interactions energy: -396.226
where: short stacking energy: -163.647
Base-Backbone interact. energy: -0.141
local terms energy: -164.089429
where:
bonds (distance) C4'-P energy: -31.633
bonds (distance) P-C4' energy: -30.916
flat angles C4'-P-C4' energy: -32.111
flat angles P-C4'-P energy: -24.690
tors. eta vs tors. theta energy: -44.739
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: 283
Temperature: 1.000000
Total energy: -559.180271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.180271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.180271 (E_RNA)
where:
Base-Base interactions energy: -391.361
where: short stacking energy: -169.977
Base-Backbone interact. energy: -0.365
local terms energy: -167.454764
where:
bonds (distance) C4'-P energy: -27.432
bonds (distance) P-C4' energy: -33.640
flat angles C4'-P-C4' energy: -30.718
flat angles P-C4'-P energy: -26.784
tors. eta vs tors. theta energy: -48.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -545.252063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.252063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.252063 (E_RNA)
where:
Base-Base interactions energy: -385.262
where: short stacking energy: -169.400
Base-Backbone interact. energy: -0.431
local terms energy: -159.559705
where:
bonds (distance) C4'-P energy: -31.444
bonds (distance) P-C4' energy: -17.884
flat angles C4'-P-C4' energy: -34.695
flat angles P-C4'-P energy: -23.706
tors. eta vs tors. theta energy: -51.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -533.301657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.301657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.301657 (E_RNA)
where:
Base-Base interactions energy: -365.502
where: short stacking energy: -164.231
Base-Backbone interact. energy: -0.247
local terms energy: -167.552301
where:
bonds (distance) C4'-P energy: -25.833
bonds (distance) P-C4' energy: -34.678
flat angles C4'-P-C4' energy: -35.414
flat angles P-C4'-P energy: -23.266
tors. eta vs tors. theta energy: -48.362
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: 283
Temperature: 1.150000
Total energy: -522.353457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.353457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.353457 (E_RNA)
where:
Base-Base interactions energy: -378.926
where: short stacking energy: -170.937
Base-Backbone interact. energy: -2.221
local terms energy: -141.206524
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -25.239
flat angles C4'-P-C4' energy: -31.220
flat angles P-C4'-P energy: -22.450
tors. eta vs tors. theta energy: -48.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -464.972906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.972906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.972906 (E_RNA)
where:
Base-Base interactions energy: -323.428
where: short stacking energy: -137.657
Base-Backbone interact. energy: -1.458
local terms energy: -140.087215
where:
bonds (distance) C4'-P energy: -27.498
bonds (distance) P-C4' energy: -26.391
flat angles C4'-P-C4' energy: -24.355
flat angles P-C4'-P energy: -24.861
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: 8, replica: 10
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -434.522195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.522195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.522195 (E_RNA)
where:
Base-Base interactions energy: -300.559
where: short stacking energy: -119.787
Base-Backbone interact. energy: -1.076
local terms energy: -132.887453
where:
bonds (distance) C4'-P energy: -29.650
bonds (distance) P-C4' energy: -25.898
flat angles C4'-P-C4' energy: -27.635
flat angles P-C4'-P energy: -18.148
tors. eta vs tors. theta energy: -31.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -363.395235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.395235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.395235 (E_RNA)
where:
Base-Base interactions energy: -240.227
where: short stacking energy: -118.541
Base-Backbone interact. energy: -0.416
local terms energy: -122.752221
where:
bonds (distance) C4'-P energy: -26.963
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -32.602
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -31.346
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: 1
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -313.586653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.586653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.586653 (E_RNA)
where:
Base-Base interactions energy: -198.368
where: short stacking energy: -93.805
Base-Backbone interact. energy: -0.185
local terms energy: -115.034107
where:
bonds (distance) C4'-P energy: -28.007
bonds (distance) P-C4' energy: -23.582
flat angles C4'-P-C4' energy: -36.116
flat angles P-C4'-P energy: -20.134
tors. eta vs tors. theta energy: -7.195
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: 7
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -581.543090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.543090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.543090 (E_RNA)
where:
Base-Base interactions energy: -410.377
where: short stacking energy: -165.153
Base-Backbone interact. energy: -0.408
local terms energy: -170.757511
where:
bonds (distance) C4'-P energy: -35.028
bonds (distance) P-C4' energy: -32.084
flat angles C4'-P-C4' energy: -34.472
flat angles P-C4'-P energy: -24.623
tors. eta vs tors. theta energy: -44.550
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: 9
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -573.795919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.795919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.795919 (E_RNA)
where:
Base-Base interactions energy: -399.054
where: short stacking energy: -171.008
Base-Backbone interact. energy: -0.573
local terms energy: -174.168801
where:
bonds (distance) C4'-P energy: -35.979
bonds (distance) P-C4' energy: -25.354
flat angles C4'-P-C4' energy: -37.296
flat angles P-C4'-P energy: -25.565
tors. eta vs tors. theta energy: -49.974
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: 8
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -558.466025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.466025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.466025 (E_RNA)
where:
Base-Base interactions energy: -384.394
where: short stacking energy: -170.447
Base-Backbone interact. energy: -2.162
local terms energy: -171.910924
where:
bonds (distance) C4'-P energy: -27.935
bonds (distance) P-C4' energy: -33.557
flat angles C4'-P-C4' energy: -36.053
flat angles P-C4'-P energy: -25.577
tors. eta vs tors. theta energy: -48.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -548.680010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.680010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.680010 (E_RNA)
where:
Base-Base interactions energy: -387.930
where: short stacking energy: -165.146
Base-Backbone interact. energy: -0.221
local terms energy: -160.528677
where:
bonds (distance) C4'-P energy: -27.535
bonds (distance) P-C4' energy: -30.595
flat angles C4'-P-C4' energy: -32.350
flat angles P-C4'-P energy: -21.443
tors. eta vs tors. theta energy: -48.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -530.960032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.960032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.960032 (E_RNA)
where:
Base-Base interactions energy: -376.481
where: short stacking energy: -182.670
Base-Backbone interact. energy: -0.181
local terms energy: -154.297938
where:
bonds (distance) C4'-P energy: -27.367
bonds (distance) P-C4' energy: -27.251
flat angles C4'-P-C4' energy: -30.457
flat angles P-C4'-P energy: -21.258
tors. eta vs tors. theta energy: -47.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -527.041135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.041135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.041135 (E_RNA)
where:
Base-Base interactions energy: -375.207
where: short stacking energy: -159.303
Base-Backbone interact. energy: -0.738
local terms energy: -151.096563
where:
bonds (distance) C4'-P energy: -28.290
bonds (distance) P-C4' energy: -28.207
flat angles C4'-P-C4' energy: -28.560
flat angles P-C4'-P energy: -25.448
tors. eta vs tors. theta energy: -40.592
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: 4
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -484.645100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.645100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.645100 (E_RNA)
where:
Base-Base interactions energy: -327.103
where: short stacking energy: -148.078
Base-Backbone interact. energy: -0.004
local terms energy: -157.538039
where:
bonds (distance) C4'-P energy: -30.189
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -37.158
flat angles P-C4'-P energy: -24.018
tors. eta vs tors. theta energy: -43.795
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: 8, replica: 10
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -430.977727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.977727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.977727 (E_RNA)
where:
Base-Base interactions energy: -295.088
where: short stacking energy: -138.469
Base-Backbone interact. energy: -0.687
local terms energy: -135.203504
where:
bonds (distance) C4'-P energy: -29.088
bonds (distance) P-C4' energy: -25.367
flat angles C4'-P-C4' energy: -27.931
flat angles P-C4'-P energy: -19.656
tors. eta vs tors. theta energy: -33.161
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: 1
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -348.864850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.864850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.864850 (E_RNA)
where:
Base-Base interactions energy: -235.903
where: short stacking energy: -97.594
Base-Backbone interact. energy: -1.118
local terms energy: -111.843943
where:
bonds (distance) C4'-P energy: -23.353
bonds (distance) P-C4' energy: -29.142
flat angles C4'-P-C4' energy: -30.326
flat angles P-C4'-P energy: -15.015
tors. eta vs tors. theta energy: -14.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -336.544508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.544508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.544508 (E_RNA)
where:
Base-Base interactions energy: -223.110
where: short stacking energy: -107.177
Base-Backbone interact. energy: -0.447
local terms energy: -112.987508
where:
bonds (distance) C4'-P energy: -25.275
bonds (distance) P-C4' energy: -30.361
flat angles C4'-P-C4' energy: -27.634
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -18.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -577.311744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.311744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.311744 (E_RNA)
where:
Base-Base interactions energy: -403.485
where: short stacking energy: -164.083
Base-Backbone interact. energy: -2.245
local terms energy: -171.581550
where:
bonds (distance) C4'-P energy: -29.049
bonds (distance) P-C4' energy: -34.108
flat angles C4'-P-C4' energy: -36.612
flat angles P-C4'-P energy: -26.045
tors. eta vs tors. theta energy: -45.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -554.982153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.982153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.982153 (E_RNA)
where:
Base-Base interactions energy: -382.083
where: short stacking energy: -157.133
Base-Backbone interact. energy: -0.427
local terms energy: -172.472935
where:
bonds (distance) C4'-P energy: -32.377
bonds (distance) P-C4' energy: -35.528
flat angles C4'-P-C4' energy: -33.905
flat angles P-C4'-P energy: -25.783
tors. eta vs tors. theta energy: -44.881
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: 3, replica: 9
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -573.800968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.800968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.800968 (E_RNA)
where:
Base-Base interactions energy: -400.450
where: short stacking energy: -173.369
Base-Backbone interact. energy: -0.049
local terms energy: -173.301287
where:
bonds (distance) C4'-P energy: -32.300
bonds (distance) P-C4' energy: -32.734
flat angles C4'-P-C4' energy: -37.103
flat angles P-C4'-P energy: -21.109
tors. eta vs tors. theta energy: -50.054
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: 4, replica: 2
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -534.131463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.131463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.131463 (E_RNA)
where:
Base-Base interactions energy: -374.512
where: short stacking energy: -147.755
Base-Backbone interact. energy: -0.037
local terms energy: -159.582311
where:
bonds (distance) C4'-P energy: -34.881
bonds (distance) P-C4' energy: -31.270
flat angles C4'-P-C4' energy: -30.366
flat angles P-C4'-P energy: -20.436
tors. eta vs tors. theta energy: -42.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -531.052751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.052751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.052751 (E_RNA)
where:
Base-Base interactions energy: -370.834
where: short stacking energy: -169.243
Base-Backbone interact. energy: -0.209
local terms energy: -160.009128
where:
bonds (distance) C4'-P energy: -31.924
bonds (distance) P-C4' energy: -20.573
flat angles C4'-P-C4' energy: -30.957
flat angles P-C4'-P energy: -25.576
tors. eta vs tors. theta energy: -50.979
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: 285
Temperature: 1.150000
Total energy: -514.626614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.626614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.626614 (E_RNA)
where:
Base-Base interactions energy: -361.712
where: short stacking energy: -150.566
Base-Backbone interact. energy: 2.120
local terms energy: -155.034188
where:
bonds (distance) C4'-P energy: -32.468
bonds (distance) P-C4' energy: -29.245
flat angles C4'-P-C4' energy: -34.536
flat angles P-C4'-P energy: -21.222
tors. eta vs tors. theta energy: -37.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -474.676632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.676632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.676632 (E_RNA)
where:
Base-Base interactions energy: -318.015
where: short stacking energy: -144.665
Base-Backbone interact. energy: -0.555
local terms energy: -156.106716
where:
bonds (distance) C4'-P energy: -32.519
bonds (distance) P-C4' energy: -27.710
flat angles C4'-P-C4' energy: -32.969
flat angles P-C4'-P energy: -25.107
tors. eta vs tors. theta energy: -37.802
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: 285
Temperature: 1.250000
Total energy: -418.784797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.784797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.784797 (E_RNA)
where:
Base-Base interactions energy: -282.619
where: short stacking energy: -128.813
Base-Backbone interact. energy: -1.006
local terms energy: -135.160026
where:
bonds (distance) C4'-P energy: -31.439
bonds (distance) P-C4' energy: -28.996
flat angles C4'-P-C4' energy: -30.263
flat angles P-C4'-P energy: -18.994
tors. eta vs tors. theta energy: -25.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -379.493509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.493509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.493509 (E_RNA)
where:
Base-Base interactions energy: -250.349
where: short stacking energy: -119.796
Base-Backbone interact. energy: -1.387
local terms energy: -127.757344
where:
bonds (distance) C4'-P energy: -27.975
bonds (distance) P-C4' energy: -31.462
flat angles C4'-P-C4' energy: -25.669
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: -27.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -351.381611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.381611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.381611 (E_RNA)
where:
Base-Base interactions energy: -238.611
where: short stacking energy: -102.628
Base-Backbone interact. energy: -0.267
local terms energy: -112.503006
where:
bonds (distance) C4'-P energy: -23.163
bonds (distance) P-C4' energy: -24.791
flat angles C4'-P-C4' energy: -19.287
flat angles P-C4'-P energy: -21.339
tors. eta vs tors. theta energy: -23.922
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: 286
Temperature: 0.900000
Total energy: -591.068570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.068570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.068570 (E_RNA)
where:
Base-Base interactions energy: -409.259
where: short stacking energy: -172.067
Base-Backbone interact. energy: -0.930
local terms energy: -180.879001
where:
bonds (distance) C4'-P energy: -34.466
bonds (distance) P-C4' energy: -31.377
flat angles C4'-P-C4' energy: -35.819
flat angles P-C4'-P energy: -29.129
tors. eta vs tors. theta energy: -50.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -571.647119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.647119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.647119 (E_RNA)
where:
Base-Base interactions energy: -391.384
where: short stacking energy: -173.717
Base-Backbone interact. energy: -0.024
local terms energy: -180.238572
where:
bonds (distance) C4'-P energy: -33.775
bonds (distance) P-C4' energy: -35.478
flat angles C4'-P-C4' energy: -35.924
flat angles P-C4'-P energy: -25.092
tors. eta vs tors. theta energy: -49.970
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: 9
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -571.397154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.397154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.397154 (E_RNA)
where:
Base-Base interactions energy: -405.137
where: short stacking energy: -168.732
Base-Backbone interact. energy: -0.182
local terms energy: -166.078051
where:
bonds (distance) C4'-P energy: -26.694
bonds (distance) P-C4' energy: -27.739
flat angles C4'-P-C4' energy: -36.169
flat angles P-C4'-P energy: -26.089
tors. eta vs tors. theta energy: -49.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -556.899652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.899652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.899652 (E_RNA)
where:
Base-Base interactions energy: -388.488
where: short stacking energy: -176.960
Base-Backbone interact. energy: -0.224
local terms energy: -168.187788
where:
bonds (distance) C4'-P energy: -27.963
bonds (distance) P-C4' energy: -30.033
flat angles C4'-P-C4' energy: -38.187
flat angles P-C4'-P energy: -23.900
tors. eta vs tors. theta energy: -48.106
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: 5, replica: 5
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -551.625900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.625900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.625900 (E_RNA)
where:
Base-Base interactions energy: -409.863
where: short stacking energy: -165.742
Base-Backbone interact. energy: -0.499
local terms energy: -141.263798
where:
bonds (distance) C4'-P energy: -25.760
bonds (distance) P-C4' energy: -24.832
flat angles C4'-P-C4' energy: -30.915
flat angles P-C4'-P energy: -17.115
tors. eta vs tors. theta energy: -42.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -511.730354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.730354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.730354 (E_RNA)
where:
Base-Base interactions energy: -350.884
where: short stacking energy: -152.971
Base-Backbone interact. energy: -0.635
local terms energy: -160.210990
where:
bonds (distance) C4'-P energy: -23.045
bonds (distance) P-C4' energy: -32.328
flat angles C4'-P-C4' energy: -37.689
flat angles P-C4'-P energy: -17.779
tors. eta vs tors. theta energy: -49.370
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: 4
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -404.120670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.120670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.120670 (E_RNA)
where:
Base-Base interactions energy: -271.562
where: short stacking energy: -128.703
Base-Backbone interact. energy: -0.551
local terms energy: -132.007798
where:
bonds (distance) C4'-P energy: -22.720
bonds (distance) P-C4' energy: -28.020
flat angles C4'-P-C4' energy: -29.517
flat angles P-C4'-P energy: -21.307
tors. eta vs tors. theta energy: -30.443
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: 10
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -434.668973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.668973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.668973 (E_RNA)
where:
Base-Base interactions energy: -301.641
where: short stacking energy: -137.643
Base-Backbone interact. energy: -0.599
local terms energy: -132.428773
where:
bonds (distance) C4'-P energy: -31.223
bonds (distance) P-C4' energy: -25.833
flat angles C4'-P-C4' energy: -28.437
flat angles P-C4'-P energy: -13.558
tors. eta vs tors. theta energy: -33.378
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: 3
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -358.739988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.739988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.739988 (E_RNA)
where:
Base-Base interactions energy: -227.194
where: short stacking energy: -101.878
Base-Backbone interact. energy: 0.238
local terms energy: -131.783600
where:
bonds (distance) C4'-P energy: -28.380
bonds (distance) P-C4' energy: -20.135
flat angles C4'-P-C4' energy: -31.912
flat angles P-C4'-P energy: -24.756
tors. eta vs tors. theta energy: -26.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -338.304015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.304015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.304015 (E_RNA)
where:
Base-Base interactions energy: -227.237
where: short stacking energy: -96.332
Base-Backbone interact. energy: -0.898
local terms energy: -110.168588
where:
bonds (distance) C4'-P energy: -26.823
bonds (distance) P-C4' energy: -19.054
flat angles C4'-P-C4' energy: -20.864
flat angles P-C4'-P energy: -21.250
tors. eta vs tors. theta energy: -22.177
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: 7
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -583.818085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.818085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.818085 (E_RNA)
where:
Base-Base interactions energy: -405.867
where: short stacking energy: -171.792
Base-Backbone interact. energy: -0.190
local terms energy: -177.761212
where:
bonds (distance) C4'-P energy: -37.789
bonds (distance) P-C4' energy: -29.270
flat angles C4'-P-C4' energy: -37.204
flat angles P-C4'-P energy: -22.867
tors. eta vs tors. theta energy: -50.630
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: 8
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -572.270833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.270833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.270833 (E_RNA)
where:
Base-Base interactions energy: -394.344
where: short stacking energy: -165.224
Base-Backbone interact. energy: 0.234
local terms energy: -178.161505
where:
bonds (distance) C4'-P energy: -33.306
bonds (distance) P-C4' energy: -28.685
flat angles C4'-P-C4' energy: -38.742
flat angles P-C4'-P energy: -28.733
tors. eta vs tors. theta energy: -48.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -568.024839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.024839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.024839 (E_RNA)
where:
Base-Base interactions energy: -401.462
where: short stacking energy: -166.560
Base-Backbone interact. energy: -0.310
local terms energy: -166.252696
where:
bonds (distance) C4'-P energy: -34.756
bonds (distance) P-C4' energy: -24.686
flat angles C4'-P-C4' energy: -33.243
flat angles P-C4'-P energy: -25.092
tors. eta vs tors. theta energy: -48.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -537.130938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.130938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.130938 (E_RNA)
where:
Base-Base interactions energy: -373.277
where: short stacking energy: -166.097
Base-Backbone interact. energy: 0.868
local terms energy: -164.722387
where:
bonds (distance) C4'-P energy: -32.137
bonds (distance) P-C4' energy: -29.364
flat angles C4'-P-C4' energy: -35.281
flat angles P-C4'-P energy: -26.250
tors. eta vs tors. theta energy: -41.691
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: 2
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -549.524217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.524217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.524217 (E_RNA)
where:
Base-Base interactions energy: -372.966
where: short stacking energy: -163.266
Base-Backbone interact. energy: -0.271
local terms energy: -176.287576
where:
bonds (distance) C4'-P energy: -34.315
bonds (distance) P-C4' energy: -31.419
flat angles C4'-P-C4' energy: -36.880
flat angles P-C4'-P energy: -28.215
tors. eta vs tors. theta energy: -45.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -518.273469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.273469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.273469 (E_RNA)
where:
Base-Base interactions energy: -363.306
where: short stacking energy: -170.408
Base-Backbone interact. energy: -1.208
local terms energy: -153.758826
where:
bonds (distance) C4'-P energy: -24.086
bonds (distance) P-C4' energy: -29.820
flat angles C4'-P-C4' energy: -35.706
flat angles P-C4'-P energy: -19.299
tors. eta vs tors. theta energy: -44.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -395.320808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.320808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.320808 (E_RNA)
where:
Base-Base interactions energy: -261.135
where: short stacking energy: -124.710
Base-Backbone interact. energy: -0.713
local terms energy: -133.472649
where:
bonds (distance) C4'-P energy: -33.483
bonds (distance) P-C4' energy: -22.613
flat angles C4'-P-C4' energy: -28.521
flat angles P-C4'-P energy: -24.893
tors. eta vs tors. theta energy: -23.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -446.479253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.479253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.479253 (E_RNA)
where:
Base-Base interactions energy: -312.288
where: short stacking energy: -126.226
Base-Backbone interact. energy: -0.777
local terms energy: -133.414449
where:
bonds (distance) C4'-P energy: -23.198
bonds (distance) P-C4' energy: -31.389
flat angles C4'-P-C4' energy: -34.872
flat angles P-C4'-P energy: -21.463
tors. eta vs tors. theta energy: -22.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -307.077637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.077637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.077637 (E_RNA)
where:
Base-Base interactions energy: -198.256
where: short stacking energy: -89.108
Base-Backbone interact. energy: -0.530
local terms energy: -108.292209
where:
bonds (distance) C4'-P energy: -22.179
bonds (distance) P-C4' energy: -26.343
flat angles C4'-P-C4' energy: -29.261
flat angles P-C4'-P energy: -13.719
tors. eta vs tors. theta energy: -16.791
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: 1
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -362.772480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.772480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.772480 (E_RNA)
where:
Base-Base interactions energy: -246.187
where: short stacking energy: -110.708
Base-Backbone interact. energy: 1.172
local terms energy: -117.756777
where:
bonds (distance) C4'-P energy: -28.746
bonds (distance) P-C4' energy: -27.510
flat angles C4'-P-C4' energy: -26.272
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -24.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -591.563040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.563040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.563040 (E_RNA)
where:
Base-Base interactions energy: -405.199
where: short stacking energy: -167.563
Base-Backbone interact. energy: -0.818
local terms energy: -185.546278
where:
bonds (distance) C4'-P energy: -35.757
bonds (distance) P-C4' energy: -34.232
flat angles C4'-P-C4' energy: -41.214
flat angles P-C4'-P energy: -25.100
tors. eta vs tors. theta energy: -49.244
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: 288
Temperature: 0.950000
Total energy: -566.737612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.737612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.737612 (E_RNA)
where:
Base-Base interactions energy: -405.664
where: short stacking energy: -154.749
Base-Backbone interact. energy: 0.483
local terms energy: -161.557038
where:
bonds (distance) C4'-P energy: -33.417
bonds (distance) P-C4' energy: -32.561
flat angles C4'-P-C4' energy: -27.667
flat angles P-C4'-P energy: -24.579
tors. eta vs tors. theta energy: -43.334
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: 9
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -566.216332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.216332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.216332 (E_RNA)
where:
Base-Base interactions energy: -400.362
where: short stacking energy: -162.803
Base-Backbone interact. energy: -0.760
local terms energy: -165.093986
where:
bonds (distance) C4'-P energy: -34.487
bonds (distance) P-C4' energy: -35.435
flat angles C4'-P-C4' energy: -28.039
flat angles P-C4'-P energy: -21.805
tors. eta vs tors. theta energy: -45.327
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: 5
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -533.726903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.726903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.726903 (E_RNA)
where:
Base-Base interactions energy: -378.840
where: short stacking energy: -162.162
Base-Backbone interact. energy: -0.401
local terms energy: -154.485126
where:
bonds (distance) C4'-P energy: -29.824
bonds (distance) P-C4' energy: -27.223
flat angles C4'-P-C4' energy: -33.835
flat angles P-C4'-P energy: -20.582
tors. eta vs tors. theta energy: -43.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -514.370053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.370053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.370053 (E_RNA)
where:
Base-Base interactions energy: -356.264
where: short stacking energy: -162.526
Base-Backbone interact. energy: -0.295
local terms energy: -157.811061
where:
bonds (distance) C4'-P energy: -28.635
bonds (distance) P-C4' energy: -28.322
flat angles C4'-P-C4' energy: -28.701
flat angles P-C4'-P energy: -23.696
tors. eta vs tors. theta energy: -48.456
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: 2
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -526.828282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.828282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.828282 (E_RNA)
where:
Base-Base interactions energy: -359.720
where: short stacking energy: -158.926
Base-Backbone interact. energy: -0.484
local terms energy: -166.624568
where:
bonds (distance) C4'-P energy: -29.974
bonds (distance) P-C4' energy: -31.325
flat angles C4'-P-C4' energy: -32.364
flat angles P-C4'-P energy: -27.877
tors. eta vs tors. theta energy: -45.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -415.198897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.198897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.198897 (E_RNA)
where:
Base-Base interactions energy: -283.380
where: short stacking energy: -123.698
Base-Backbone interact. energy: -0.225
local terms energy: -131.594022
where:
bonds (distance) C4'-P energy: -29.925
bonds (distance) P-C4' energy: -29.640
flat angles C4'-P-C4' energy: -29.114
flat angles P-C4'-P energy: -17.603
tors. eta vs tors. theta energy: -25.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -420.208547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.208547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.208547 (E_RNA)
where:
Base-Base interactions energy: -288.746
where: short stacking energy: -140.198
Base-Backbone interact. energy: -0.094
local terms energy: -131.368713
where:
bonds (distance) C4'-P energy: -18.858
bonds (distance) P-C4' energy: -26.868
flat angles C4'-P-C4' energy: -30.237
flat angles P-C4'-P energy: -19.886
tors. eta vs tors. theta energy: -35.519
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: 1
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -361.997101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.997101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.997101 (E_RNA)
where:
Base-Base interactions energy: -240.588
where: short stacking energy: -110.360
Base-Backbone interact. energy: -1.297
local terms energy: -120.111537
where:
bonds (distance) C4'-P energy: -29.009
bonds (distance) P-C4' energy: -24.096
flat angles C4'-P-C4' energy: -29.051
flat angles P-C4'-P energy: -19.609
tors. eta vs tors. theta energy: -18.346
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: 3
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -320.372225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.372225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.372225 (E_RNA)
where:
Base-Base interactions energy: -201.901
where: short stacking energy: -102.791
Base-Backbone interact. energy: -0.440
local terms energy: -118.031255
where:
bonds (distance) C4'-P energy: -27.442
bonds (distance) P-C4' energy: -24.900
flat angles C4'-P-C4' energy: -23.853
flat angles P-C4'-P energy: -22.992
tors. eta vs tors. theta energy: -18.844
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: 8
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -585.603019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.603019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.603019 (E_RNA)
where:
Base-Base interactions energy: -414.735
where: short stacking energy: -186.013
Base-Backbone interact. energy: -0.653
local terms energy: -170.214895
where:
bonds (distance) C4'-P energy: -31.387
bonds (distance) P-C4' energy: -31.478
flat angles C4'-P-C4' energy: -35.634
flat angles P-C4'-P energy: -20.138
tors. eta vs tors. theta energy: -51.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -577.075211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.075211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.075211 (E_RNA)
where:
Base-Base interactions energy: -407.399
where: short stacking energy: -160.843
Base-Backbone interact. energy: -1.037
local terms energy: -168.639288
where:
bonds (distance) C4'-P energy: -30.751
bonds (distance) P-C4' energy: -31.939
flat angles C4'-P-C4' energy: -37.492
flat angles P-C4'-P energy: -18.774
tors. eta vs tors. theta energy: -49.683
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: 289
Temperature: 1.000000
Total energy: -550.184775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.184775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.184775 (E_RNA)
where:
Base-Base interactions energy: -392.682
where: short stacking energy: -158.781
Base-Backbone interact. energy: -0.165
local terms energy: -157.338094
where:
bonds (distance) C4'-P energy: -31.215
bonds (distance) P-C4' energy: -26.396
flat angles C4'-P-C4' energy: -32.027
flat angles P-C4'-P energy: -24.815
tors. eta vs tors. theta energy: -42.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -540.014247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.014247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.014247 (E_RNA)
where:
Base-Base interactions energy: -363.250
where: short stacking energy: -157.844
Base-Backbone interact. energy: -1.990
local terms energy: -174.774724
where:
bonds (distance) C4'-P energy: -33.699
bonds (distance) P-C4' energy: -30.792
flat angles C4'-P-C4' energy: -34.920
flat angles P-C4'-P energy: -24.491
tors. eta vs tors. theta energy: -50.872
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: 5
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -531.792120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.792120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.792120 (E_RNA)
where:
Base-Base interactions energy: -383.675
where: short stacking energy: -161.228
Base-Backbone interact. energy: 0.009
local terms energy: -148.125940
where:
bonds (distance) C4'-P energy: -24.377
bonds (distance) P-C4' energy: -33.697
flat angles C4'-P-C4' energy: -27.305
flat angles P-C4'-P energy: -22.981
tors. eta vs tors. theta energy: -39.766
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: 2
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -526.048276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.048276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.048276 (E_RNA)
where:
Base-Base interactions energy: -375.536
where: short stacking energy: -166.587
Base-Backbone interact. energy: -0.714
local terms energy: -149.798414
where:
bonds (distance) C4'-P energy: -25.852
bonds (distance) P-C4' energy: -24.101
flat angles C4'-P-C4' energy: -32.121
flat angles P-C4'-P energy: -24.013
tors. eta vs tors. theta energy: -43.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -422.234603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.234603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.234603 (E_RNA)
where:
Base-Base interactions energy: -287.047
where: short stacking energy: -135.990
Base-Backbone interact. energy: -0.893
local terms energy: -134.295049
where:
bonds (distance) C4'-P energy: -29.035
bonds (distance) P-C4' energy: -22.818
flat angles C4'-P-C4' energy: -29.997
flat angles P-C4'-P energy: -21.028
tors. eta vs tors. theta energy: -31.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -452.778846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.778846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.778846 (E_RNA)
where:
Base-Base interactions energy: -297.098
where: short stacking energy: -135.681
Base-Backbone interact. energy: -0.462
local terms energy: -155.218185
where:
bonds (distance) C4'-P energy: -22.931
bonds (distance) P-C4' energy: -32.902
flat angles C4'-P-C4' energy: -37.614
flat angles P-C4'-P energy: -23.139
tors. eta vs tors. theta energy: -38.632
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: 1
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -358.194140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.194140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.194140 (E_RNA)
where:
Base-Base interactions energy: -234.953
where: short stacking energy: -111.188
Base-Backbone interact. energy: -1.282
local terms energy: -121.959080
where:
bonds (distance) C4'-P energy: -20.123
bonds (distance) P-C4' energy: -31.807
flat angles C4'-P-C4' energy: -27.812
flat angles P-C4'-P energy: -16.982
tors. eta vs tors. theta energy: -25.235
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: 10, replica: 3
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -309.337157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.337157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.337157 (E_RNA)
where:
Base-Base interactions energy: -200.774
where: short stacking energy: -79.541
Base-Backbone interact. energy: -1.404
local terms energy: -107.159343
where:
bonds (distance) C4'-P energy: -27.770
bonds (distance) P-C4' energy: -31.294
flat angles C4'-P-C4' energy: -19.695
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -15.840
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: 9
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -589.757316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.757316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.757316 (E_RNA)
where:
Base-Base interactions energy: -419.875
where: short stacking energy: -170.522
Base-Backbone interact. energy: -0.880
local terms energy: -169.001847
where:
bonds (distance) C4'-P energy: -30.247
bonds (distance) P-C4' energy: -28.068
flat angles C4'-P-C4' energy: -35.954
flat angles P-C4'-P energy: -23.130
tors. eta vs tors. theta energy: -51.602
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: 8
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -575.289610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.289610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.289610 (E_RNA)
where:
Base-Base interactions energy: -405.345
where: short stacking energy: -177.673
Base-Backbone interact. energy: -0.224
local terms energy: -169.720910
where:
bonds (distance) C4'-P energy: -32.267
bonds (distance) P-C4' energy: -35.711
flat angles C4'-P-C4' energy: -34.095
flat angles P-C4'-P energy: -18.988
tors. eta vs tors. theta energy: -48.661
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: 6
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -541.303929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.303929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.303929 (E_RNA)
where:
Base-Base interactions energy: -368.514
where: short stacking energy: -156.694
Base-Backbone interact. energy: -1.265
local terms energy: -171.525074
where:
bonds (distance) C4'-P energy: -35.282
bonds (distance) P-C4' energy: -37.437
flat angles C4'-P-C4' energy: -29.174
flat angles P-C4'-P energy: -19.025
tors. eta vs tors. theta energy: -50.606
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: 7
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -560.604355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.604355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.604355 (E_RNA)
where:
Base-Base interactions energy: -410.334
where: short stacking energy: -170.143
Base-Backbone interact. energy: -1.245
local terms energy: -149.025675
where:
bonds (distance) C4'-P energy: -19.032
bonds (distance) P-C4' energy: -30.167
flat angles C4'-P-C4' energy: -27.431
flat angles P-C4'-P energy: -23.960
tors. eta vs tors. theta energy: -48.437
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: 290
Temperature: 1.100000
Total energy: -531.000089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.000089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.000089 (E_RNA)
where:
Base-Base interactions energy: -371.165
where: short stacking energy: -162.055
Base-Backbone interact. energy: 0.202
local terms energy: -160.037141
where:
bonds (distance) C4'-P energy: -29.833
bonds (distance) P-C4' energy: -28.583
flat angles C4'-P-C4' energy: -39.165
flat angles P-C4'-P energy: -19.720
tors. eta vs tors. theta energy: -42.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -525.528303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.528303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.528303 (E_RNA)
where:
Base-Base interactions energy: -378.221
where: short stacking energy: -158.924
Base-Backbone interact. energy: 0.251
local terms energy: -147.557667
where:
bonds (distance) C4'-P energy: -25.975
bonds (distance) P-C4' energy: -27.245
flat angles C4'-P-C4' energy: -35.730
flat angles P-C4'-P energy: -21.274
tors. eta vs tors. theta energy: -37.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -475.607126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.607126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.607126 (E_RNA)
where:
Base-Base interactions energy: -316.267
where: short stacking energy: -145.660
Base-Backbone interact. energy: -0.108
local terms energy: -159.232329
where:
bonds (distance) C4'-P energy: -29.010
bonds (distance) P-C4' energy: -32.780
flat angles C4'-P-C4' energy: -36.821
flat angles P-C4'-P energy: -20.479
tors. eta vs tors. theta energy: -40.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -442.437985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.437985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.437985 (E_RNA)
where:
Base-Base interactions energy: -289.193
where: short stacking energy: -133.704
Base-Backbone interact. energy: -0.930
local terms energy: -152.315610
where:
bonds (distance) C4'-P energy: -28.759
bonds (distance) P-C4' energy: -32.924
flat angles C4'-P-C4' energy: -34.889
flat angles P-C4'-P energy: -26.437
tors. eta vs tors. theta energy: -29.307
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: 3
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -346.308801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.308801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.308801 (E_RNA)
where:
Base-Base interactions energy: -233.829
where: short stacking energy: -103.553
Base-Backbone interact. energy: -1.108
local terms energy: -111.371434
where:
bonds (distance) C4'-P energy: -20.122
bonds (distance) P-C4' energy: -28.703
flat angles C4'-P-C4' energy: -26.523
flat angles P-C4'-P energy: -16.117
tors. eta vs tors. theta energy: -19.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -332.934493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.934493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.934493 (E_RNA)
where:
Base-Base interactions energy: -222.527
where: short stacking energy: -103.567
Base-Backbone interact. energy: 1.477
local terms energy: -111.884883
where:
bonds (distance) C4'-P energy: -28.620
bonds (distance) P-C4' energy: -17.469
flat angles C4'-P-C4' energy: -29.349
flat angles P-C4'-P energy: -21.615
tors. eta vs tors. theta energy: -14.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -578.793257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.793257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.793257 (E_RNA)
where:
Base-Base interactions energy: -400.871
where: short stacking energy: -167.462
Base-Backbone interact. energy: -0.142
local terms energy: -177.779641
where:
bonds (distance) C4'-P energy: -34.333
bonds (distance) P-C4' energy: -33.527
flat angles C4'-P-C4' energy: -33.118
flat angles P-C4'-P energy: -24.517
tors. eta vs tors. theta energy: -52.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -566.915376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.915376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.915376 (E_RNA)
where:
Base-Base interactions energy: -390.607
where: short stacking energy: -167.630
Base-Backbone interact. energy: 0.129
local terms energy: -176.437844
where:
bonds (distance) C4'-P energy: -30.081
bonds (distance) P-C4' energy: -37.487
flat angles C4'-P-C4' energy: -37.037
flat angles P-C4'-P energy: -24.105
tors. eta vs tors. theta energy: -47.729
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: 6
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -563.668445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.668445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.668445 (E_RNA)
where:
Base-Base interactions energy: -403.409
where: short stacking energy: -175.093
Base-Backbone interact. energy: -0.249
local terms energy: -160.009679
where:
bonds (distance) C4'-P energy: -30.814
bonds (distance) P-C4' energy: -30.827
flat angles C4'-P-C4' energy: -29.068
flat angles P-C4'-P energy: -22.464
tors. eta vs tors. theta energy: -46.836
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: 2
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -563.692098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.692098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.692098 (E_RNA)
where:
Base-Base interactions energy: -394.102
where: short stacking energy: -170.993
Base-Backbone interact. energy: -0.233
local terms energy: -169.357252
where:
bonds (distance) C4'-P energy: -25.359
bonds (distance) P-C4' energy: -32.880
flat angles C4'-P-C4' energy: -34.576
flat angles P-C4'-P energy: -28.666
tors. eta vs tors. theta energy: -47.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -539.769677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.769677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.769677 (E_RNA)
where:
Base-Base interactions energy: -379.737
where: short stacking energy: -163.100
Base-Backbone interact. energy: -1.242
local terms energy: -158.791087
where:
bonds (distance) C4'-P energy: -28.528
bonds (distance) P-C4' energy: -27.729
flat angles C4'-P-C4' energy: -34.464
flat angles P-C4'-P energy: -20.774
tors. eta vs tors. theta energy: -47.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -500.849113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.849113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.849113 (E_RNA)
where:
Base-Base interactions energy: -365.205
where: short stacking energy: -154.930
Base-Backbone interact. energy: 2.406
local terms energy: -138.050459
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.841
flat angles C4'-P-C4' energy: -29.742
flat angles P-C4'-P energy: -21.921
tors. eta vs tors. theta energy: -31.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -469.486667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.486667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.486667 (E_RNA)
where:
Base-Base interactions energy: -323.349
where: short stacking energy: -148.510
Base-Backbone interact. energy: -0.599
local terms energy: -145.538397
where:
bonds (distance) C4'-P energy: -26.982
bonds (distance) P-C4' energy: -23.481
flat angles C4'-P-C4' energy: -32.915
flat angles P-C4'-P energy: -20.730
tors. eta vs tors. theta energy: -41.431
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: 10
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -397.020320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.020320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.020320 (E_RNA)
where:
Base-Base interactions energy: -289.028
where: short stacking energy: -119.314
Base-Backbone interact. energy: 0.676
local terms energy: -108.668435
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -27.907
flat angles C4'-P-C4' energy: -23.549
flat angles P-C4'-P energy: -18.121
tors. eta vs tors. theta energy: -23.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -349.056850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.056850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.056850 (E_RNA)
where:
Base-Base interactions energy: -255.437
where: short stacking energy: -102.298
Base-Backbone interact. energy: -0.369
local terms energy: -93.251113
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -18.688
flat angles C4'-P-C4' energy: -29.433
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -18.340
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: 1
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -303.037640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.037640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.037640 (E_RNA)
where:
Base-Base interactions energy: -189.171
where: short stacking energy: -83.708
Base-Backbone interact. energy: -0.457
local terms energy: -113.409794
where:
bonds (distance) C4'-P energy: -25.997
bonds (distance) P-C4' energy: -26.728
flat angles C4'-P-C4' energy: -29.630
flat angles P-C4'-P energy: -15.732
tors. eta vs tors. theta energy: -15.323
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: 9
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -588.284122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.284122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.284122 (E_RNA)
where:
Base-Base interactions energy: -417.568
where: short stacking energy: -173.784
Base-Backbone interact. energy: -0.962
local terms energy: -169.753680
where:
bonds (distance) C4'-P energy: -26.890
bonds (distance) P-C4' energy: -35.825
flat angles C4'-P-C4' energy: -34.526
flat angles P-C4'-P energy: -22.875
tors. eta vs tors. theta energy: -49.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -566.518969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.518969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.518969 (E_RNA)
where:
Base-Base interactions energy: -394.467
where: short stacking energy: -170.218
Base-Backbone interact. energy: -1.233
local terms energy: -170.818281
where:
bonds (distance) C4'-P energy: -31.866
bonds (distance) P-C4' energy: -28.259
flat angles C4'-P-C4' energy: -34.157
flat angles P-C4'-P energy: -26.987
tors. eta vs tors. theta energy: -49.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -568.645996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.645996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.645996 (E_RNA)
where:
Base-Base interactions energy: -397.912
where: short stacking energy: -174.213
Base-Backbone interact. energy: -1.147
local terms energy: -169.586224
where:
bonds (distance) C4'-P energy: -29.000
bonds (distance) P-C4' energy: -33.180
flat angles C4'-P-C4' energy: -36.977
flat angles P-C4'-P energy: -24.907
tors. eta vs tors. theta energy: -45.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -550.990247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.990247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.990247 (E_RNA)
where:
Base-Base interactions energy: -382.283
where: short stacking energy: -163.665
Base-Backbone interact. energy: -0.748
local terms energy: -167.958582
where:
bonds (distance) C4'-P energy: -30.781
bonds (distance) P-C4' energy: -33.292
flat angles C4'-P-C4' energy: -30.285
flat angles P-C4'-P energy: -27.906
tors. eta vs tors. theta energy: -45.695
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: 5
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -525.907568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.907568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.907568 (E_RNA)
where:
Base-Base interactions energy: -384.521
where: short stacking energy: -150.973
Base-Backbone interact. energy: -0.633
local terms energy: -140.753689
where:
bonds (distance) C4'-P energy: -31.354
bonds (distance) P-C4' energy: -21.409
flat angles C4'-P-C4' energy: -31.477
flat angles P-C4'-P energy: -15.362
tors. eta vs tors. theta energy: -41.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -525.891349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.891349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.891349 (E_RNA)
where:
Base-Base interactions energy: -363.978
where: short stacking energy: -154.762
Base-Backbone interact. energy: -0.167
local terms energy: -161.746735
where:
bonds (distance) C4'-P energy: -30.059
bonds (distance) P-C4' energy: -30.464
flat angles C4'-P-C4' energy: -33.863
flat angles P-C4'-P energy: -16.651
tors. eta vs tors. theta energy: -50.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -420.475422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.475422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.475422 (E_RNA)
where:
Base-Base interactions energy: -282.682
where: short stacking energy: -122.590
Base-Backbone interact. energy: -0.206
local terms energy: -137.588267
where:
bonds (distance) C4'-P energy: -23.230
bonds (distance) P-C4' energy: -25.273
flat angles C4'-P-C4' energy: -32.290
flat angles P-C4'-P energy: -26.048
tors. eta vs tors. theta energy: -30.747
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: 4
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -447.527190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.527190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.527190 (E_RNA)
where:
Base-Base interactions energy: -312.498
where: short stacking energy: -152.227
Base-Backbone interact. energy: -2.636
local terms energy: -132.392899
where:
bonds (distance) C4'-P energy: -21.006
bonds (distance) P-C4' energy: -24.085
flat angles C4'-P-C4' energy: -34.306
flat angles P-C4'-P energy: -18.213
tors. eta vs tors. theta energy: -34.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -393.169258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.169258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.169258 (E_RNA)
where:
Base-Base interactions energy: -264.828
where: short stacking energy: -114.961
Base-Backbone interact. energy: 1.486
local terms energy: -129.827316
where:
bonds (distance) C4'-P energy: -26.789
bonds (distance) P-C4' energy: -27.315
flat angles C4'-P-C4' energy: -31.866
flat angles P-C4'-P energy: -18.269
tors. eta vs tors. theta energy: -25.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -297.491375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.491375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.491375 (E_RNA)
where:
Base-Base interactions energy: -188.119
where: short stacking energy: -91.626
Base-Backbone interact. energy: -0.525
local terms energy: -108.847367
where:
bonds (distance) C4'-P energy: -28.802
bonds (distance) P-C4' energy: -21.048
flat angles C4'-P-C4' energy: -23.847
flat angles P-C4'-P energy: -14.635
tors. eta vs tors. theta energy: -20.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -591.921864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.921864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.921864 (E_RNA)
where:
Base-Base interactions energy: -415.631
where: short stacking energy: -166.940
Base-Backbone interact. energy: -0.154
local terms energy: -176.136392
where:
bonds (distance) C4'-P energy: -31.786
bonds (distance) P-C4' energy: -31.961
flat angles C4'-P-C4' energy: -37.806
flat angles P-C4'-P energy: -23.861
tors. eta vs tors. theta energy: -50.721
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: 2
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -575.775842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.775842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.775842 (E_RNA)
where:
Base-Base interactions energy: -403.446
where: short stacking energy: -173.717
Base-Backbone interact. energy: -0.335
local terms energy: -171.994892
where:
bonds (distance) C4'-P energy: -31.076
bonds (distance) P-C4' energy: -38.812
flat angles C4'-P-C4' energy: -36.290
flat angles P-C4'-P energy: -20.275
tors. eta vs tors. theta energy: -45.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -554.649333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.649333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.649333 (E_RNA)
where:
Base-Base interactions energy: -377.378
where: short stacking energy: -163.587
Base-Backbone interact. energy: -0.024
local terms energy: -177.246925
where:
bonds (distance) C4'-P energy: -32.469
bonds (distance) P-C4' energy: -35.682
flat angles C4'-P-C4' energy: -32.372
flat angles P-C4'-P energy: -20.941
tors. eta vs tors. theta energy: -55.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -551.362943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.362943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.362943 (E_RNA)
where:
Base-Base interactions energy: -385.747
where: short stacking energy: -176.703
Base-Backbone interact. energy: -1.115
local terms energy: -164.500877
where:
bonds (distance) C4'-P energy: -27.262
bonds (distance) P-C4' energy: -29.225
flat angles C4'-P-C4' energy: -35.102
flat angles P-C4'-P energy: -26.195
tors. eta vs tors. theta energy: -46.718
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: 6
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -524.587645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.587645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.587645 (E_RNA)
where:
Base-Base interactions energy: -360.111
where: short stacking energy: -166.574
Base-Backbone interact. energy: -0.742
local terms energy: -163.735165
where:
bonds (distance) C4'-P energy: -30.200
bonds (distance) P-C4' energy: -29.992
flat angles C4'-P-C4' energy: -36.800
flat angles P-C4'-P energy: -20.090
tors. eta vs tors. theta energy: -46.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -516.573888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.573888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.573888 (E_RNA)
where:
Base-Base interactions energy: -372.599
where: short stacking energy: -156.762
Base-Backbone interact. energy: -1.128
local terms energy: -142.847033
where:
bonds (distance) C4'-P energy: -28.605
bonds (distance) P-C4' energy: -28.815
flat angles C4'-P-C4' energy: -31.932
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -41.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -445.895261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.895261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.895261 (E_RNA)
where:
Base-Base interactions energy: -305.198
where: short stacking energy: -141.574
Base-Backbone interact. energy: -0.985
local terms energy: -139.712890
where:
bonds (distance) C4'-P energy: -24.698
bonds (distance) P-C4' energy: -25.648
flat angles C4'-P-C4' energy: -35.313
flat angles P-C4'-P energy: -23.454
tors. eta vs tors. theta energy: -30.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -354.939282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.939282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.939282 (E_RNA)
where:
Base-Base interactions energy: -227.902
where: short stacking energy: -87.095
Base-Backbone interact. energy: -0.655
local terms energy: -126.382257
where:
bonds (distance) C4'-P energy: -25.867
bonds (distance) P-C4' energy: -28.990
flat angles C4'-P-C4' energy: -32.811
flat angles P-C4'-P energy: -16.063
tors. eta vs tors. theta energy: -22.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -441.858494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.858494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.858494 (E_RNA)
where:
Base-Base interactions energy: -294.408
where: short stacking energy: -131.357
Base-Backbone interact. energy: -1.322
local terms energy: -146.128105
where:
bonds (distance) C4'-P energy: -25.650
bonds (distance) P-C4' energy: -24.666
flat angles C4'-P-C4' energy: -32.678
flat angles P-C4'-P energy: -22.840
tors. eta vs tors. theta energy: -40.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -309.513985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.513985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.513985 (E_RNA)
where:
Base-Base interactions energy: -205.225
where: short stacking energy: -94.200
Base-Backbone interact. energy: -0.363
local terms energy: -103.925809
where:
bonds (distance) C4'-P energy: -29.476
bonds (distance) P-C4' energy: -26.116
flat angles C4'-P-C4' energy: -21.041
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -14.819
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: 2
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -575.281443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.281443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.281443 (E_RNA)
where:
Base-Base interactions energy: -404.519
where: short stacking energy: -178.040
Base-Backbone interact. energy: -1.928
local terms energy: -168.834062
where:
bonds (distance) C4'-P energy: -29.139
bonds (distance) P-C4' energy: -28.464
flat angles C4'-P-C4' energy: -37.497
flat angles P-C4'-P energy: -21.922
tors. eta vs tors. theta energy: -51.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -585.507657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.507657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.507657 (E_RNA)
where:
Base-Base interactions energy: -413.544
where: short stacking energy: -167.841
Base-Backbone interact. energy: -1.503
local terms energy: -170.460764
where:
bonds (distance) C4'-P energy: -35.248
bonds (distance) P-C4' energy: -27.135
flat angles C4'-P-C4' energy: -35.231
flat angles P-C4'-P energy: -23.897
tors. eta vs tors. theta energy: -48.950
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: 8
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -552.802651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.802651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.802651 (E_RNA)
where:
Base-Base interactions energy: -387.009
where: short stacking energy: -164.485
Base-Backbone interact. energy: -0.327
local terms energy: -165.466693
where:
bonds (distance) C4'-P energy: -34.772
bonds (distance) P-C4' energy: -28.670
flat angles C4'-P-C4' energy: -33.711
flat angles P-C4'-P energy: -25.264
tors. eta vs tors. theta energy: -43.050
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: 5
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -532.675626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.675626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.675626 (E_RNA)
where:
Base-Base interactions energy: -381.619
where: short stacking energy: -150.304
Base-Backbone interact. energy: -0.990
local terms energy: -150.066742
where:
bonds (distance) C4'-P energy: -30.629
bonds (distance) P-C4' energy: -30.704
flat angles C4'-P-C4' energy: -25.141
flat angles P-C4'-P energy: -24.470
tors. eta vs tors. theta energy: -39.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -533.354606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.354606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.354606 (E_RNA)
where:
Base-Base interactions energy: -377.580
where: short stacking energy: -153.856
Base-Backbone interact. energy: -0.773
local terms energy: -155.001546
where:
bonds (distance) C4'-P energy: -25.118
bonds (distance) P-C4' energy: -34.001
flat angles C4'-P-C4' energy: -33.674
flat angles P-C4'-P energy: -19.852
tors. eta vs tors. theta energy: -42.356
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: 6
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -521.866235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.866235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.866235 (E_RNA)
where:
Base-Base interactions energy: -361.978
where: short stacking energy: -164.068
Base-Backbone interact. energy: -0.786
local terms energy: -159.101769
where:
bonds (distance) C4'-P energy: -23.958
bonds (distance) P-C4' energy: -34.398
flat angles C4'-P-C4' energy: -36.899
flat angles P-C4'-P energy: -16.705
tors. eta vs tors. theta energy: -47.142
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: 294
Temperature: 1.200000
Total energy: -458.876240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.876240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.876240 (E_RNA)
where:
Base-Base interactions energy: -309.659
where: short stacking energy: -133.282
Base-Backbone interact. energy: -1.672
local terms energy: -147.545495
where:
bonds (distance) C4'-P energy: -27.120
bonds (distance) P-C4' energy: -33.729
flat angles C4'-P-C4' energy: -32.171
flat angles P-C4'-P energy: -21.288
tors. eta vs tors. theta energy: -33.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -393.925412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.925412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.925412 (E_RNA)
where:
Base-Base interactions energy: -273.856
where: short stacking energy: -118.609
Base-Backbone interact. energy: -0.372
local terms energy: -119.697555
where:
bonds (distance) C4'-P energy: -22.670
bonds (distance) P-C4' energy: -20.841
flat angles C4'-P-C4' energy: -29.968
flat angles P-C4'-P energy: -15.406
tors. eta vs tors. theta energy: -30.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -396.429394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.429394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.429394 (E_RNA)
where:
Base-Base interactions energy: -263.179
where: short stacking energy: -107.372
Base-Backbone interact. energy: 0.577
local terms energy: -133.827510
where:
bonds (distance) C4'-P energy: -24.050
bonds (distance) P-C4' energy: -29.418
flat angles C4'-P-C4' energy: -36.342
flat angles P-C4'-P energy: -19.212
tors. eta vs tors. theta energy: -24.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -337.313935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.313935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.313935 (E_RNA)
where:
Base-Base interactions energy: -207.226
where: short stacking energy: -105.145
Base-Backbone interact. energy: -1.093
local terms energy: -128.995293
where:
bonds (distance) C4'-P energy: -31.688
bonds (distance) P-C4' energy: -32.904
flat angles C4'-P-C4' energy: -28.832
flat angles P-C4'-P energy: -14.958
tors. eta vs tors. theta energy: -20.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -582.425369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.425369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.425369 (E_RNA)
where:
Base-Base interactions energy: -402.639
where: short stacking energy: -167.726
Base-Backbone interact. energy: -0.340
local terms energy: -179.446987
where:
bonds (distance) C4'-P energy: -29.034
bonds (distance) P-C4' energy: -39.108
flat angles C4'-P-C4' energy: -36.836
flat angles P-C4'-P energy: -26.489
tors. eta vs tors. theta energy: -47.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -585.259535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.259535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.259535 (E_RNA)
where:
Base-Base interactions energy: -413.635
where: short stacking energy: -168.300
Base-Backbone interact. energy: -1.410
local terms energy: -170.214977
where:
bonds (distance) C4'-P energy: -33.574
bonds (distance) P-C4' energy: -31.329
flat angles C4'-P-C4' energy: -34.762
flat angles P-C4'-P energy: -18.782
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: 3, replica: 8
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -564.177690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.177690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.177690 (E_RNA)
where:
Base-Base interactions energy: -392.614
where: short stacking energy: -175.753
Base-Backbone interact. energy: -0.539
local terms energy: -171.025468
where:
bonds (distance) C4'-P energy: -28.986
bonds (distance) P-C4' energy: -31.636
flat angles C4'-P-C4' energy: -37.657
flat angles P-C4'-P energy: -24.296
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: 4, replica: 5
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -548.807635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.807635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.807635 (E_RNA)
where:
Base-Base interactions energy: -402.050
where: short stacking energy: -168.133
Base-Backbone interact. energy: 0.061
local terms energy: -146.818674
where:
bonds (distance) C4'-P energy: -24.739
bonds (distance) P-C4' energy: -26.121
flat angles C4'-P-C4' energy: -30.908
flat angles P-C4'-P energy: -23.538
tors. eta vs tors. theta energy: -41.512
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: 5, replica: 7
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -515.391954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.391954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.391954 (E_RNA)
where:
Base-Base interactions energy: -355.956
where: short stacking energy: -150.808
Base-Backbone interact. energy: -0.680
local terms energy: -158.755500
where:
bonds (distance) C4'-P energy: -34.920
bonds (distance) P-C4' energy: -30.224
flat angles C4'-P-C4' energy: -34.215
flat angles P-C4'-P energy: -20.987
tors. eta vs tors. theta energy: -38.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -514.699563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.699563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.699563 (E_RNA)
where:
Base-Base interactions energy: -354.642
where: short stacking energy: -155.870
Base-Backbone interact. energy: -0.251
local terms energy: -159.806255
where:
bonds (distance) C4'-P energy: -30.242
bonds (distance) P-C4' energy: -31.195
flat angles C4'-P-C4' energy: -31.873
flat angles P-C4'-P energy: -19.303
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: 7, replica: 10
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -437.802325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.802325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.802325 (E_RNA)
where:
Base-Base interactions energy: -292.982
where: short stacking energy: -131.912
Base-Backbone interact. energy: -0.873
local terms energy: -143.947186
where:
bonds (distance) C4'-P energy: -34.879
bonds (distance) P-C4' energy: -27.611
flat angles C4'-P-C4' energy: -28.046
flat angles P-C4'-P energy: -19.433
tors. eta vs tors. theta energy: -33.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -417.929853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.929853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.929853 (E_RNA)
where:
Base-Base interactions energy: -292.800
where: short stacking energy: -138.467
Base-Backbone interact. energy: -0.455
local terms energy: -124.675060
where:
bonds (distance) C4'-P energy: -18.830
bonds (distance) P-C4' energy: -30.046
flat angles C4'-P-C4' energy: -27.334
flat angles P-C4'-P energy: -18.657
tors. eta vs tors. theta energy: -29.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -386.569399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.569399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.569399 (E_RNA)
where:
Base-Base interactions energy: -261.074
where: short stacking energy: -103.106
Base-Backbone interact. energy: -0.834
local terms energy: -124.661735
where:
bonds (distance) C4'-P energy: -27.976
bonds (distance) P-C4' energy: -27.321
flat angles C4'-P-C4' energy: -22.098
flat angles P-C4'-P energy: -25.035
tors. eta vs tors. theta energy: -22.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -283.797108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.797108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.797108 (E_RNA)
where:
Base-Base interactions energy: -168.199
where: short stacking energy: -80.103
Base-Backbone interact. energy: -0.448
local terms energy: -115.150284
where:
bonds (distance) C4'-P energy: -28.622
bonds (distance) P-C4' energy: -29.370
flat angles C4'-P-C4' energy: -26.423
flat angles P-C4'-P energy: -14.557
tors. eta vs tors. theta energy: -16.179
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: 2
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -585.775108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.775108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.775108 (E_RNA)
where:
Base-Base interactions energy: -409.764
where: short stacking energy: -182.522
Base-Backbone interact. energy: -0.250
local terms energy: -175.761111
where:
bonds (distance) C4'-P energy: -32.035
bonds (distance) P-C4' energy: -36.153
flat angles C4'-P-C4' energy: -26.640
flat angles P-C4'-P energy: -29.795
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: 2, replica: 9
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -575.541749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.541749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.541749 (E_RNA)
where:
Base-Base interactions energy: -399.663
where: short stacking energy: -165.090
Base-Backbone interact. energy: -0.805
local terms energy: -175.073803
where:
bonds (distance) C4'-P energy: -28.174
bonds (distance) P-C4' energy: -36.422
flat angles C4'-P-C4' energy: -34.660
flat angles P-C4'-P energy: -25.762
tors. eta vs tors. theta energy: -50.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -562.725074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.725074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.725074 (E_RNA)
where:
Base-Base interactions energy: -394.320
where: short stacking energy: -166.651
Base-Backbone interact. energy: -1.834
local terms energy: -166.571722
where:
bonds (distance) C4'-P energy: -30.670
bonds (distance) P-C4' energy: -27.898
flat angles C4'-P-C4' energy: -35.747
flat angles P-C4'-P energy: -22.416
tors. eta vs tors. theta energy: -49.841
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: 4, replica: 5
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -545.614378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.614378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.614378 (E_RNA)
where:
Base-Base interactions energy: -394.018
where: short stacking energy: -166.484
Base-Backbone interact. energy: 4.363
local terms energy: -155.959708
where:
bonds (distance) C4'-P energy: -23.992
bonds (distance) P-C4' energy: -32.470
flat angles C4'-P-C4' energy: -36.698
flat angles P-C4'-P energy: -21.907
tors. eta vs tors. theta energy: -40.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -524.497376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.497376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.497376 (E_RNA)
where:
Base-Base interactions energy: -359.457
where: short stacking energy: -160.223
Base-Backbone interact. energy: -0.457
local terms energy: -164.582992
where:
bonds (distance) C4'-P energy: -29.070
bonds (distance) P-C4' energy: -28.274
flat angles C4'-P-C4' energy: -35.546
flat angles P-C4'-P energy: -25.764
tors. eta vs tors. theta energy: -45.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -522.070702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.070702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.070702 (E_RNA)
where:
Base-Base interactions energy: -370.850
where: short stacking energy: -157.911
Base-Backbone interact. energy: 2.561
local terms energy: -153.782319
where:
bonds (distance) C4'-P energy: -29.887
bonds (distance) P-C4' energy: -30.104
flat angles C4'-P-C4' energy: -31.684
flat angles P-C4'-P energy: -19.020
tors. eta vs tors. theta energy: -43.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -436.167340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.167340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.167340 (E_RNA)
where:
Base-Base interactions energy: -303.507
where: short stacking energy: -134.007
Base-Backbone interact. energy: 1.716
local terms energy: -134.376741
where:
bonds (distance) C4'-P energy: -29.445
bonds (distance) P-C4' energy: -28.352
flat angles C4'-P-C4' energy: -26.875
flat angles P-C4'-P energy: -22.241
tors. eta vs tors. theta energy: -27.463
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: 8, replica: 4
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -421.320298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.320298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.320298 (E_RNA)
where:
Base-Base interactions energy: -288.075
where: short stacking energy: -120.567
Base-Backbone interact. energy: -0.666
local terms energy: -132.579133
where:
bonds (distance) C4'-P energy: -20.310
bonds (distance) P-C4' energy: -22.390
flat angles C4'-P-C4' energy: -29.769
flat angles P-C4'-P energy: -27.749
tors. eta vs tors. theta energy: -32.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -304.114874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.114874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.114874 (E_RNA)
where:
Base-Base interactions energy: -190.587
where: short stacking energy: -97.673
Base-Backbone interact. energy: -0.433
local terms energy: -113.094919
where:
bonds (distance) C4'-P energy: -24.468
bonds (distance) P-C4' energy: -26.445
flat angles C4'-P-C4' energy: -27.990
flat angles P-C4'-P energy: -20.981
tors. eta vs tors. theta energy: -13.211
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: 10, replica: 3
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -353.342252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.342252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.342252 (E_RNA)
where:
Base-Base interactions energy: -236.340
where: short stacking energy: -105.918
Base-Backbone interact. energy: -0.644
local terms energy: -116.358760
where:
bonds (distance) C4'-P energy: -20.525
bonds (distance) P-C4' energy: -28.551
flat angles C4'-P-C4' energy: -29.664
flat angles P-C4'-P energy: -18.410
tors. eta vs tors. theta energy: -19.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -582.319465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.319465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.319465 (E_RNA)
where:
Base-Base interactions energy: -415.736
where: short stacking energy: -182.814
Base-Backbone interact. energy: -0.690
local terms energy: -165.893153
where:
bonds (distance) C4'-P energy: -21.687
bonds (distance) P-C4' energy: -33.872
flat angles C4'-P-C4' energy: -35.283
flat angles P-C4'-P energy: -26.816
tors. eta vs tors. theta energy: -48.236
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: 9
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -577.155723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.155723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.155723 (E_RNA)
where:
Base-Base interactions energy: -407.719
where: short stacking energy: -175.700
Base-Backbone interact. energy: -0.158
local terms energy: -169.278493
where:
bonds (distance) C4'-P energy: -32.251
bonds (distance) P-C4' energy: -31.849
flat angles C4'-P-C4' energy: -37.150
flat angles P-C4'-P energy: -20.079
tors. eta vs tors. theta energy: -47.950
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: 8
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -561.958957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.958957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.958957 (E_RNA)
where:
Base-Base interactions energy: -387.428
where: short stacking energy: -166.727
Base-Backbone interact. energy: -0.308
local terms energy: -174.222841
where:
bonds (distance) C4'-P energy: -36.005
bonds (distance) P-C4' energy: -34.205
flat angles C4'-P-C4' energy: -35.268
flat angles P-C4'-P energy: -19.625
tors. eta vs tors. theta energy: -49.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -525.124009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.124009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.124009 (E_RNA)
where:
Base-Base interactions energy: -363.602
where: short stacking energy: -159.264
Base-Backbone interact. energy: -0.296
local terms energy: -161.225462
where:
bonds (distance) C4'-P energy: -24.777
bonds (distance) P-C4' energy: -29.966
flat angles C4'-P-C4' energy: -37.016
flat angles P-C4'-P energy: -22.792
tors. eta vs tors. theta energy: -46.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -504.022189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.022189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.022189 (E_RNA)
where:
Base-Base interactions energy: -349.202
where: short stacking energy: -156.872
Base-Backbone interact. energy: 0.085
local terms energy: -154.905105
where:
bonds (distance) C4'-P energy: -30.557
bonds (distance) P-C4' energy: -29.267
flat angles C4'-P-C4' energy: -31.904
flat angles P-C4'-P energy: -19.121
tors. eta vs tors. theta energy: -44.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -531.152567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.152567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.152567 (E_RNA)
where:
Base-Base interactions energy: -367.907
where: short stacking energy: -150.448
Base-Backbone interact. energy: -0.791
local terms energy: -162.454951
where:
bonds (distance) C4'-P energy: -31.684
bonds (distance) P-C4' energy: -27.459
flat angles C4'-P-C4' energy: -37.054
flat angles P-C4'-P energy: -24.555
tors. eta vs tors. theta energy: -41.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -457.047674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.047674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.047674 (E_RNA)
where:
Base-Base interactions energy: -318.002
where: short stacking energy: -139.599
Base-Backbone interact. energy: -0.445
local terms energy: -138.601145
where:
bonds (distance) C4'-P energy: -25.801
bonds (distance) P-C4' energy: -29.779
flat angles C4'-P-C4' energy: -27.641
flat angles P-C4'-P energy: -22.336
tors. eta vs tors. theta energy: -33.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -459.342430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.342430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.342430 (E_RNA)
where:
Base-Base interactions energy: -315.978
where: short stacking energy: -135.847
Base-Backbone interact. energy: -1.121
local terms energy: -142.243562
where:
bonds (distance) C4'-P energy: -25.709
bonds (distance) P-C4' energy: -27.922
flat angles C4'-P-C4' energy: -32.707
flat angles P-C4'-P energy: -23.973
tors. eta vs tors. theta energy: -31.933
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: 1
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -299.505706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.505706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.505706 (E_RNA)
where:
Base-Base interactions energy: -194.902
where: short stacking energy: -87.060
Base-Backbone interact. energy: -0.512
local terms energy: -104.091674
where:
bonds (distance) C4'-P energy: -26.338
bonds (distance) P-C4' energy: -23.378
flat angles C4'-P-C4' energy: -28.614
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -12.899
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: 3
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -367.032130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.032130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.032130 (E_RNA)
where:
Base-Base interactions energy: -250.945
where: short stacking energy: -107.455
Base-Backbone interact. energy: -0.705
local terms energy: -115.382026
where:
bonds (distance) C4'-P energy: -21.156
bonds (distance) P-C4' energy: -22.789
flat angles C4'-P-C4' energy: -31.231
flat angles P-C4'-P energy: -17.987
tors. eta vs tors. theta energy: -22.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -584.253053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.253053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.253053 (E_RNA)
where:
Base-Base interactions energy: -413.914
where: short stacking energy: -174.165
Base-Backbone interact. energy: -0.066
local terms energy: -170.272844
where:
bonds (distance) C4'-P energy: -24.171
bonds (distance) P-C4' energy: -33.832
flat angles C4'-P-C4' energy: -35.816
flat angles P-C4'-P energy: -28.137
tors. eta vs tors. theta energy: -48.318
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: 2
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -562.686638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.686638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.686638 (E_RNA)
where:
Base-Base interactions energy: -393.935
where: short stacking energy: -165.736
Base-Backbone interact. energy: -0.874
local terms energy: -167.876904
where:
bonds (distance) C4'-P energy: -33.581
bonds (distance) P-C4' energy: -34.205
flat angles C4'-P-C4' energy: -32.634
flat angles P-C4'-P energy: -18.708
tors. eta vs tors. theta energy: -48.750
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: 8
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -565.280084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.280084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.280084 (E_RNA)
where:
Base-Base interactions energy: -394.953
where: short stacking energy: -177.836
Base-Backbone interact. energy: -0.570
local terms energy: -169.756757
where:
bonds (distance) C4'-P energy: -28.772
bonds (distance) P-C4' energy: -31.387
flat angles C4'-P-C4' energy: -35.666
flat angles P-C4'-P energy: -18.111
tors. eta vs tors. theta energy: -55.822
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: 6
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -542.858107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.858107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.858107 (E_RNA)
where:
Base-Base interactions energy: -380.876
where: short stacking energy: -175.827
Base-Backbone interact. energy: -0.876
local terms energy: -161.105842
where:
bonds (distance) C4'-P energy: -26.107
bonds (distance) P-C4' energy: -35.129
flat angles C4'-P-C4' energy: -31.164
flat angles P-C4'-P energy: -23.730
tors. eta vs tors. theta energy: -44.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -531.926947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.926947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.926947 (E_RNA)
where:
Base-Base interactions energy: -369.709
where: short stacking energy: -151.169
Base-Backbone interact. energy: -0.589
local terms energy: -161.629001
where:
bonds (distance) C4'-P energy: -35.067
bonds (distance) P-C4' energy: -29.010
flat angles C4'-P-C4' energy: -31.892
flat angles P-C4'-P energy: -22.871
tors. eta vs tors. theta energy: -42.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -492.610686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.610686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.610686 (E_RNA)
where:
Base-Base interactions energy: -347.389
where: short stacking energy: -147.324
Base-Backbone interact. energy: -0.098
local terms energy: -145.123927
where:
bonds (distance) C4'-P energy: -20.115
bonds (distance) P-C4' energy: -27.414
flat angles C4'-P-C4' energy: -37.735
flat angles P-C4'-P energy: -18.753
tors. eta vs tors. theta energy: -41.107
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: 4
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -474.267160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.267160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.267160 (E_RNA)
where:
Base-Base interactions energy: -334.550
where: short stacking energy: -155.617
Base-Backbone interact. energy: -0.234
local terms energy: -139.482980
where:
bonds (distance) C4'-P energy: -25.894
bonds (distance) P-C4' energy: -21.983
flat angles C4'-P-C4' energy: -36.506
flat angles P-C4'-P energy: -18.886
tors. eta vs tors. theta energy: -36.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -431.784250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.784250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.784250 (E_RNA)
where:
Base-Base interactions energy: -300.896
where: short stacking energy: -137.994
Base-Backbone interact. energy: -0.915
local terms energy: -129.974023
where:
bonds (distance) C4'-P energy: -25.370
bonds (distance) P-C4' energy: -28.531
flat angles C4'-P-C4' energy: -26.197
flat angles P-C4'-P energy: -21.321
tors. eta vs tors. theta energy: -28.554
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: 3
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -365.805351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.805351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.805351 (E_RNA)
where:
Base-Base interactions energy: -251.644
where: short stacking energy: -116.351
Base-Backbone interact. energy: -0.526
local terms energy: -113.634765
where:
bonds (distance) C4'-P energy: -19.699
bonds (distance) P-C4' energy: -25.687
flat angles C4'-P-C4' energy: -34.187
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -25.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -319.479069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.479069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.479069 (E_RNA)
where:
Base-Base interactions energy: -214.050
where: short stacking energy: -108.728
Base-Backbone interact. energy: -0.390
local terms energy: -105.039388
where:
bonds (distance) C4'-P energy: -20.967
bonds (distance) P-C4' energy: -23.147
flat angles C4'-P-C4' energy: -23.901
flat angles P-C4'-P energy: -12.010
tors. eta vs tors. theta energy: -25.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -588.604468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.604468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.604468 (E_RNA)
where:
Base-Base interactions energy: -407.139
where: short stacking energy: -166.016
Base-Backbone interact. energy: -1.838
local terms energy: -179.627451
where:
bonds (distance) C4'-P energy: -33.865
bonds (distance) P-C4' energy: -35.063
flat angles C4'-P-C4' energy: -37.168
flat angles P-C4'-P energy: -25.112
tors. eta vs tors. theta energy: -48.419
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: 8
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -571.310649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.310649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.310649 (E_RNA)
where:
Base-Base interactions energy: -409.012
where: short stacking energy: -173.342
Base-Backbone interact. energy: -0.119
local terms energy: -162.179594
where:
bonds (distance) C4'-P energy: -26.264
bonds (distance) P-C4' energy: -32.762
flat angles C4'-P-C4' energy: -31.925
flat angles P-C4'-P energy: -20.797
tors. eta vs tors. theta energy: -50.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -552.029137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.029137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.029137 (E_RNA)
where:
Base-Base interactions energy: -382.931
where: short stacking energy: -162.523
Base-Backbone interact. energy: -0.509
local terms energy: -168.589877
where:
bonds (distance) C4'-P energy: -33.736
bonds (distance) P-C4' energy: -34.803
flat angles C4'-P-C4' energy: -34.749
flat angles P-C4'-P energy: -22.243
tors. eta vs tors. theta energy: -43.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -553.456609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.456609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.456609 (E_RNA)
where:
Base-Base interactions energy: -389.128
where: short stacking energy: -155.496
Base-Backbone interact. energy: -1.251
local terms energy: -163.077710
where:
bonds (distance) C4'-P energy: -28.248
bonds (distance) P-C4' energy: -31.916
flat angles C4'-P-C4' energy: -36.758
flat angles P-C4'-P energy: -24.284
tors. eta vs tors. theta energy: -41.872
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: 6
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -527.743533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.743533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.743533 (E_RNA)
where:
Base-Base interactions energy: -360.587
where: short stacking energy: -166.205
Base-Backbone interact. energy: -0.193
local terms energy: -166.963479
where:
bonds (distance) C4'-P energy: -30.115
bonds (distance) P-C4' energy: -34.091
flat angles C4'-P-C4' energy: -31.046
flat angles P-C4'-P energy: -23.334
tors. eta vs tors. theta energy: -48.377
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: 6, replica: 4
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -470.830533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.830533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.830533 (E_RNA)
where:
Base-Base interactions energy: -322.470
where: short stacking energy: -143.426
Base-Backbone interact. energy: -0.238
local terms energy: -148.121892
where:
bonds (distance) C4'-P energy: -27.745
bonds (distance) P-C4' energy: -32.274
flat angles C4'-P-C4' energy: -29.989
flat angles P-C4'-P energy: -21.529
tors. eta vs tors. theta energy: -36.585
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: 5
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -480.524276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.524276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.524276 (E_RNA)
where:
Base-Base interactions energy: -340.585
where: short stacking energy: -148.926
Base-Backbone interact. energy: -0.054
local terms energy: -139.884976
where:
bonds (distance) C4'-P energy: -20.389
bonds (distance) P-C4' energy: -29.982
flat angles C4'-P-C4' energy: -36.716
flat angles P-C4'-P energy: -14.536
tors. eta vs tors. theta energy: -38.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -450.588837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.588837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.588837 (E_RNA)
where:
Base-Base interactions energy: -318.012
where: short stacking energy: -125.079
Base-Backbone interact. energy: -0.973
local terms energy: -131.604186
where:
bonds (distance) C4'-P energy: -24.596
bonds (distance) P-C4' energy: -28.568
flat angles C4'-P-C4' energy: -33.549
flat angles P-C4'-P energy: -17.844
tors. eta vs tors. theta energy: -27.047
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: 3
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -361.863537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.863537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.863537 (E_RNA)
where:
Base-Base interactions energy: -252.278
where: short stacking energy: -108.756
Base-Backbone interact. energy: -0.290
local terms energy: -109.295783
where:
bonds (distance) C4'-P energy: -27.600
bonds (distance) P-C4' energy: -31.498
flat angles C4'-P-C4' energy: -22.587
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -16.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -351.769504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.769504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.769504 (E_RNA)
where:
Base-Base interactions energy: -219.303
where: short stacking energy: -105.961
Base-Backbone interact. energy: -0.405
local terms energy: -132.061603
where:
bonds (distance) C4'-P energy: -29.209
bonds (distance) P-C4' energy: -32.154
flat angles C4'-P-C4' energy: -31.416
flat angles P-C4'-P energy: -16.897
tors. eta vs tors. theta energy: -22.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -588.027748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.027748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.027748 (E_RNA)
where:
Base-Base interactions energy: -408.686
where: short stacking energy: -171.409
Base-Backbone interact. energy: -0.458
local terms energy: -178.883309
where:
bonds (distance) C4'-P energy: -31.775
bonds (distance) P-C4' energy: -30.936
flat angles C4'-P-C4' energy: -39.100
flat angles P-C4'-P energy: -27.166
tors. eta vs tors. theta energy: -49.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -590.695760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.695760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.695760 (E_RNA)
where:
Base-Base interactions energy: -405.538
where: short stacking energy: -165.265
Base-Backbone interact. energy: -0.263
local terms energy: -184.895035
where:
bonds (distance) C4'-P energy: -35.288
bonds (distance) P-C4' energy: -38.031
flat angles C4'-P-C4' energy: -41.369
flat angles P-C4'-P energy: -21.958
tors. eta vs tors. theta energy: -48.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -557.798151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.798151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.798151 (E_RNA)
where:
Base-Base interactions energy: -396.543
where: short stacking energy: -168.068
Base-Backbone interact. energy: -1.235
local terms energy: -160.019903
where:
bonds (distance) C4'-P energy: -31.418
bonds (distance) P-C4' energy: -34.826
flat angles C4'-P-C4' energy: -28.974
flat angles P-C4'-P energy: -21.116
tors. eta vs tors. theta energy: -43.686
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: 300
Temperature: 1.050000
Total energy: -551.921049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.921049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.921049 (E_RNA)
where:
Base-Base interactions energy: -393.858
where: short stacking energy: -158.959
Base-Backbone interact. energy: -0.860
local terms energy: -157.203146
where:
bonds (distance) C4'-P energy: -30.352
bonds (distance) P-C4' energy: -26.086
flat angles C4'-P-C4' energy: -36.013
flat angles P-C4'-P energy: -21.086
tors. eta vs tors. theta energy: -43.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -494.532931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.532931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.532931 (E_RNA)
where:
Base-Base interactions energy: -336.798
where: short stacking energy: -166.738
Base-Backbone interact. energy: 1.997
local terms energy: -159.732714
where:
bonds (distance) C4'-P energy: -29.613
bonds (distance) P-C4' energy: -28.762
flat angles C4'-P-C4' energy: -33.660
flat angles P-C4'-P energy: -27.383
tors. eta vs tors. theta energy: -40.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -525.188562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.188562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.188562 (E_RNA)
where:
Base-Base interactions energy: -361.685
where: short stacking energy: -159.638
Base-Backbone interact. energy: 1.462
local terms energy: -164.965080
where:
bonds (distance) C4'-P energy: -29.803
bonds (distance) P-C4' energy: -31.917
flat angles C4'-P-C4' energy: -32.492
flat angles P-C4'-P energy: -21.589
tors. eta vs tors. theta energy: -49.164
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: 5
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -473.737768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.737768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.737768 (E_RNA)
where:
Base-Base interactions energy: -314.722
where: short stacking energy: -144.760
Base-Backbone interact. energy: -0.547
local terms energy: -158.468832
where:
bonds (distance) C4'-P energy: -24.207
bonds (distance) P-C4' energy: -34.686
flat angles C4'-P-C4' energy: -33.312
flat angles P-C4'-P energy: -24.739
tors. eta vs tors. theta energy: -41.525
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: 10
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -436.312536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.312536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.312536 (E_RNA)
where:
Base-Base interactions energy: -321.044
where: short stacking energy: -128.557
Base-Backbone interact. energy: -0.344
local terms energy: -114.924161
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -20.945
flat angles C4'-P-C4' energy: -28.562
flat angles P-C4'-P energy: -16.331
tors. eta vs tors. theta energy: -30.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -387.367697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.367697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.367697 (E_RNA)
where:
Base-Base interactions energy: -271.779
where: short stacking energy: -101.373
Base-Backbone interact. energy: -0.504
local terms energy: -115.084114
where:
bonds (distance) C4'-P energy: -26.884
bonds (distance) P-C4' energy: -25.438
flat angles C4'-P-C4' energy: -29.130
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -24.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -344.821091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.821091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.821091 (E_RNA)
where:
Base-Base interactions energy: -221.135
where: short stacking energy: -103.965
Base-Backbone interact. energy: -0.524
local terms energy: -123.161696
where:
bonds (distance) C4'-P energy: -22.436
bonds (distance) P-C4' energy: -24.869
flat angles C4'-P-C4' energy: -31.037
flat angles P-C4'-P energy: -18.316
tors. eta vs tors. theta energy: -26.503
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: 1, replica: 8
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -586.931152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.931152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.931152 (E_RNA)
where:
Base-Base interactions energy: -411.976
where: short stacking energy: -186.667
Base-Backbone interact. energy: -0.262
local terms energy: -174.693146
where:
bonds (distance) C4'-P energy: -28.517
bonds (distance) P-C4' energy: -33.430
flat angles C4'-P-C4' energy: -37.981
flat angles P-C4'-P energy: -22.457
tors. eta vs tors. theta energy: -52.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -578.653946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.653946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.653946 (E_RNA)
where:
Base-Base interactions energy: -403.609
where: short stacking energy: -172.983
Base-Backbone interact. energy: -0.250
local terms energy: -174.795451
where:
bonds (distance) C4'-P energy: -33.443
bonds (distance) P-C4' energy: -34.037
flat angles C4'-P-C4' energy: -34.579
flat angles P-C4'-P energy: -22.712
tors. eta vs tors. theta energy: -50.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -575.747193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.747193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.747193 (E_RNA)
where:
Base-Base interactions energy: -400.983
where: short stacking energy: -160.472
Base-Backbone interact. energy: -1.051
local terms energy: -173.713585
where:
bonds (distance) C4'-P energy: -32.430
bonds (distance) P-C4' energy: -30.926
flat angles C4'-P-C4' energy: -38.801
flat angles P-C4'-P energy: -22.068
tors. eta vs tors. theta energy: -49.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -560.960272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.960272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.960272 (E_RNA)
where:
Base-Base interactions energy: -411.121
where: short stacking energy: -162.914
Base-Backbone interact. energy: -1.308
local terms energy: -148.531403
where:
bonds (distance) C4'-P energy: -30.433
bonds (distance) P-C4' energy: -24.864
flat angles C4'-P-C4' energy: -32.204
flat angles P-C4'-P energy: -17.267
tors. eta vs tors. theta energy: -43.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -494.964339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.964339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.964339 (E_RNA)
where:
Base-Base interactions energy: -329.081
where: short stacking energy: -149.429
Base-Backbone interact. energy: -1.759
local terms energy: -164.124785
where:
bonds (distance) C4'-P energy: -31.446
bonds (distance) P-C4' energy: -34.364
flat angles C4'-P-C4' energy: -34.702
flat angles P-C4'-P energy: -21.313
tors. eta vs tors. theta energy: -42.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -525.255667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.255667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.255667 (E_RNA)
where:
Base-Base interactions energy: -372.501
where: short stacking energy: -173.855
Base-Backbone interact. energy: -0.672
local terms energy: -152.082509
where:
bonds (distance) C4'-P energy: -21.120
bonds (distance) P-C4' energy: -28.650
flat angles C4'-P-C4' energy: -32.519
flat angles P-C4'-P energy: -19.121
tors. eta vs tors. theta energy: -50.673
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: 5
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -479.781030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.781030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.781030 (E_RNA)
where:
Base-Base interactions energy: -337.516
where: short stacking energy: -158.115
Base-Backbone interact. energy: -0.165
local terms energy: -142.099995
where:
bonds (distance) C4'-P energy: -26.692
bonds (distance) P-C4' energy: -26.176
flat angles C4'-P-C4' energy: -29.635
flat angles P-C4'-P energy: -18.611
tors. eta vs tors. theta energy: -40.987
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: 301
Temperature: 1.250000
Total energy: -410.853753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.853753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.853753 (E_RNA)
where:
Base-Base interactions energy: -300.773
where: short stacking energy: -131.468
Base-Backbone interact. energy: 0.970
local terms energy: -111.050021
where:
bonds (distance) C4'-P energy: -26.444
bonds (distance) P-C4' energy: -17.232
flat angles C4'-P-C4' energy: -22.567
flat angles P-C4'-P energy: -19.267
tors. eta vs tors. theta energy: -25.540
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: 3
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -379.362825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.362825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.362825 (E_RNA)
where:
Base-Base interactions energy: -254.213
where: short stacking energy: -121.236
Base-Backbone interact. energy: -0.379
local terms energy: -124.770749
where:
bonds (distance) C4'-P energy: -28.926
bonds (distance) P-C4' energy: -25.663
flat angles C4'-P-C4' energy: -26.985
flat angles P-C4'-P energy: -13.945
tors. eta vs tors. theta energy: -29.253
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: 10, replica: 1
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -306.606540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.606540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.606540 (E_RNA)
where:
Base-Base interactions energy: -201.789
where: short stacking energy: -103.260
Base-Backbone interact. energy: 0.108
local terms energy: -104.925480
where:
bonds (distance) C4'-P energy: -18.652
bonds (distance) P-C4' energy: -27.642
flat angles C4'-P-C4' energy: -23.835
flat angles P-C4'-P energy: -14.374
tors. eta vs tors. theta energy: -20.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -591.215374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.215374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.215374 (E_RNA)
where:
Base-Base interactions energy: -414.635
where: short stacking energy: -182.714
Base-Backbone interact. energy: -0.876
local terms energy: -175.704714
where:
bonds (distance) C4'-P energy: -29.056
bonds (distance) P-C4' energy: -28.253
flat angles C4'-P-C4' energy: -39.463
flat angles P-C4'-P energy: -27.693
tors. eta vs tors. theta energy: -51.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -574.514157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.514157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.514157 (E_RNA)
where:
Base-Base interactions energy: -390.563
where: short stacking energy: -170.690
Base-Backbone interact. energy: -0.381
local terms energy: -183.570257
where:
bonds (distance) C4'-P energy: -31.642
bonds (distance) P-C4' energy: -37.547
flat angles C4'-P-C4' energy: -37.899
flat angles P-C4'-P energy: -25.603
tors. eta vs tors. theta energy: -50.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -578.506809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.506809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.506809 (E_RNA)
where:
Base-Base interactions energy: -406.756
where: short stacking energy: -159.560
Base-Backbone interact. energy: -1.167
local terms energy: -170.583548
where:
bonds (distance) C4'-P energy: -23.552
bonds (distance) P-C4' energy: -34.590
flat angles C4'-P-C4' energy: -37.937
flat angles P-C4'-P energy: -20.843
tors. eta vs tors. theta energy: -53.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -561.761052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.761052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.761052 (E_RNA)
where:
Base-Base interactions energy: -394.347
where: short stacking energy: -163.114
Base-Backbone interact. energy: -1.301
local terms energy: -166.113142
where:
bonds (distance) C4'-P energy: -35.209
bonds (distance) P-C4' energy: -35.136
flat angles C4'-P-C4' energy: -31.391
flat angles P-C4'-P energy: -21.570
tors. eta vs tors. theta energy: -42.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -540.079523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.079523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.079523 (E_RNA)
where:
Base-Base interactions energy: -367.692
where: short stacking energy: -166.016
Base-Backbone interact. energy: -0.443
local terms energy: -171.944758
where:
bonds (distance) C4'-P energy: -32.649
bonds (distance) P-C4' energy: -30.028
flat angles C4'-P-C4' energy: -35.428
flat angles P-C4'-P energy: -24.873
tors. eta vs tors. theta energy: -48.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -494.305163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.305163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.305163 (E_RNA)
where:
Base-Base interactions energy: -332.861
where: short stacking energy: -139.888
Base-Backbone interact. energy: -1.845
local terms energy: -159.599020
where:
bonds (distance) C4'-P energy: -31.826
bonds (distance) P-C4' energy: -32.699
flat angles C4'-P-C4' energy: -34.122
flat angles P-C4'-P energy: -18.656
tors. eta vs tors. theta energy: -42.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -414.875312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.875312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.875312 (E_RNA)
where:
Base-Base interactions energy: -290.483
where: short stacking energy: -142.373
Base-Backbone interact. energy: -0.289
local terms energy: -124.102515
where:
bonds (distance) C4'-P energy: -24.592
bonds (distance) P-C4' energy: -24.583
flat angles C4'-P-C4' energy: -27.136
flat angles P-C4'-P energy: -19.619
tors. eta vs tors. theta energy: -28.172
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: 8, replica: 5
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -465.588739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.588739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.588739 (E_RNA)
where:
Base-Base interactions energy: -314.377
where: short stacking energy: -144.510
Base-Backbone interact. energy: -1.114
local terms energy: -150.097880
where:
bonds (distance) C4'-P energy: -30.770
bonds (distance) P-C4' energy: -32.516
flat angles C4'-P-C4' energy: -32.969
flat angles P-C4'-P energy: -20.066
tors. eta vs tors. theta energy: -33.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -328.518141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.518141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.518141 (E_RNA)
where:
Base-Base interactions energy: -208.529
where: short stacking energy: -99.755
Base-Backbone interact. energy: -0.652
local terms energy: -119.337351
where:
bonds (distance) C4'-P energy: -23.808
bonds (distance) P-C4' energy: -27.665
flat angles C4'-P-C4' energy: -28.076
flat angles P-C4'-P energy: -23.648
tors. eta vs tors. theta energy: -16.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -285.077371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.077371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.077371 (E_RNA)
where:
Base-Base interactions energy: -175.912
where: short stacking energy: -79.411
Base-Backbone interact. energy: -0.291
local terms energy: -108.874334
where:
bonds (distance) C4'-P energy: -22.042
bonds (distance) P-C4' energy: -33.855
flat angles C4'-P-C4' energy: -22.299
flat angles P-C4'-P energy: -18.752
tors. eta vs tors. theta energy: -11.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -583.049535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.049535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.049535 (E_RNA)
where:
Base-Base interactions energy: -413.440
where: short stacking energy: -182.486
Base-Backbone interact. energy: 1.934
local terms energy: -171.543565
where:
bonds (distance) C4'-P energy: -25.621
bonds (distance) P-C4' energy: -34.776
flat angles C4'-P-C4' energy: -36.771
flat angles P-C4'-P energy: -23.979
tors. eta vs tors. theta energy: -50.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -582.345621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.345621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.345621 (E_RNA)
where:
Base-Base interactions energy: -410.037
where: short stacking energy: -180.751
Base-Backbone interact. energy: -0.147
local terms energy: -172.161715
where:
bonds (distance) C4'-P energy: -30.223
bonds (distance) P-C4' energy: -26.258
flat angles C4'-P-C4' energy: -40.383
flat angles P-C4'-P energy: -25.152
tors. eta vs tors. theta energy: -50.145
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: 9
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -565.883497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.883497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.883497 (E_RNA)
where:
Base-Base interactions energy: -402.621
where: short stacking energy: -170.707
Base-Backbone interact. energy: 0.326
local terms energy: -163.588339
where:
bonds (distance) C4'-P energy: -32.883
bonds (distance) P-C4' energy: -27.087
flat angles C4'-P-C4' energy: -32.897
flat angles P-C4'-P energy: -24.739
tors. eta vs tors. theta energy: -45.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -546.144051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.144051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.144051 (E_RNA)
where:
Base-Base interactions energy: -391.412
where: short stacking energy: -153.907
Base-Backbone interact. energy: -0.891
local terms energy: -153.841186
where:
bonds (distance) C4'-P energy: -31.912
bonds (distance) P-C4' energy: -25.906
flat angles C4'-P-C4' energy: -33.616
flat angles P-C4'-P energy: -22.264
tors. eta vs tors. theta energy: -40.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -513.439814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.439814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.439814 (E_RNA)
where:
Base-Base interactions energy: -354.201
where: short stacking energy: -154.766
Base-Backbone interact. energy: -0.361
local terms energy: -158.878192
where:
bonds (distance) C4'-P energy: -29.140
bonds (distance) P-C4' energy: -30.708
flat angles C4'-P-C4' energy: -37.007
flat angles P-C4'-P energy: -20.604
tors. eta vs tors. theta energy: -41.419
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: 4
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -490.461537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.461537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.461537 (E_RNA)
where:
Base-Base interactions energy: -334.412
where: short stacking energy: -155.973
Base-Backbone interact. energy: -1.455
local terms energy: -154.594579
where:
bonds (distance) C4'-P energy: -29.833
bonds (distance) P-C4' energy: -29.350
flat angles C4'-P-C4' energy: -34.328
flat angles P-C4'-P energy: -23.367
tors. eta vs tors. theta energy: -37.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -420.606451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.606451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.606451 (E_RNA)
where:
Base-Base interactions energy: -290.303
where: short stacking energy: -134.079
Base-Backbone interact. energy: -0.292
local terms energy: -130.012013
where:
bonds (distance) C4'-P energy: -22.651
bonds (distance) P-C4' energy: -23.551
flat angles C4'-P-C4' energy: -35.954
flat angles P-C4'-P energy: -14.457
tors. eta vs tors. theta energy: -33.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -480.723795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.723795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.723795 (E_RNA)
where:
Base-Base interactions energy: -354.038
where: short stacking energy: -150.465
Base-Backbone interact. energy: -0.153
local terms energy: -126.532981
where:
bonds (distance) C4'-P energy: -25.317
bonds (distance) P-C4' energy: -24.936
flat angles C4'-P-C4' energy: -25.461
flat angles P-C4'-P energy: -13.684
tors. eta vs tors. theta energy: -37.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -346.822581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.822581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.822581 (E_RNA)
where:
Base-Base interactions energy: -234.916
where: short stacking energy: -113.165
Base-Backbone interact. energy: -0.756
local terms energy: -111.149726
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -25.904
flat angles C4'-P-C4' energy: -33.159
flat angles P-C4'-P energy: -17.277
tors. eta vs tors. theta energy: -21.400
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: 1
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -276.025229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.025229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.025229 (E_RNA)
where:
Base-Base interactions energy: -176.404
where: short stacking energy: -75.429
Base-Backbone interact. energy: -1.081
local terms energy: -98.539933
where:
bonds (distance) C4'-P energy: -29.083
bonds (distance) P-C4' energy: -23.252
flat angles C4'-P-C4' energy: -29.258
flat angles P-C4'-P energy: -6.808
tors. eta vs tors. theta energy: -10.138
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: 8
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -590.609073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.609073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.609073 (E_RNA)
where:
Base-Base interactions energy: -406.047
where: short stacking energy: -174.899
Base-Backbone interact. energy: -1.850
local terms energy: -182.712029
where:
bonds (distance) C4'-P energy: -33.268
bonds (distance) P-C4' energy: -35.878
flat angles C4'-P-C4' energy: -35.774
flat angles P-C4'-P energy: -22.772
tors. eta vs tors. theta energy: -55.020
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: 2, replica: 2
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -587.982099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.982099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.982099 (E_RNA)
where:
Base-Base interactions energy: -400.749
where: short stacking energy: -184.666
Base-Backbone interact. energy: -0.106
local terms energy: -187.127097
where:
bonds (distance) C4'-P energy: -31.826
bonds (distance) P-C4' energy: -37.319
flat angles C4'-P-C4' energy: -38.381
flat angles P-C4'-P energy: -26.686
tors. eta vs tors. theta energy: -52.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -558.226642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.226642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.226642 (E_RNA)
where:
Base-Base interactions energy: -386.748
where: short stacking energy: -163.562
Base-Backbone interact. energy: 0.975
local terms energy: -172.453181
where:
bonds (distance) C4'-P energy: -31.254
bonds (distance) P-C4' energy: -30.203
flat angles C4'-P-C4' energy: -35.831
flat angles P-C4'-P energy: -24.428
tors. eta vs tors. theta energy: -50.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -569.564936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.564936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.564936 (E_RNA)
where:
Base-Base interactions energy: -400.231
where: short stacking energy: -161.058
Base-Backbone interact. energy: -0.870
local terms energy: -168.463996
where:
bonds (distance) C4'-P energy: -32.897
bonds (distance) P-C4' energy: -31.301
flat angles C4'-P-C4' energy: -39.064
flat angles P-C4'-P energy: -21.541
tors. eta vs tors. theta energy: -43.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -498.694535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.694535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.694535 (E_RNA)
where:
Base-Base interactions energy: -353.122
where: short stacking energy: -150.662
Base-Backbone interact. energy: -1.734
local terms energy: -143.838210
where:
bonds (distance) C4'-P energy: -29.232
bonds (distance) P-C4' energy: -28.191
flat angles C4'-P-C4' energy: -30.200
flat angles P-C4'-P energy: -19.364
tors. eta vs tors. theta energy: -36.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -508.868710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.868710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.868710 (E_RNA)
where:
Base-Base interactions energy: -351.364
where: short stacking energy: -150.365
Base-Backbone interact. energy: -0.273
local terms energy: -157.232308
where:
bonds (distance) C4'-P energy: -22.924
bonds (distance) P-C4' energy: -36.011
flat angles C4'-P-C4' energy: -37.180
flat angles P-C4'-P energy: -15.804
tors. eta vs tors. theta energy: -45.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -485.244547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.244547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.244547 (E_RNA)
where:
Base-Base interactions energy: -331.970
where: short stacking energy: -152.710
Base-Backbone interact. energy: -1.632
local terms energy: -151.642763
where:
bonds (distance) C4'-P energy: -25.618
bonds (distance) P-C4' energy: -24.147
flat angles C4'-P-C4' energy: -38.155
flat angles P-C4'-P energy: -17.687
tors. eta vs tors. theta energy: -46.035
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: 10
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -402.621686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.621686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.621686 (E_RNA)
where:
Base-Base interactions energy: -263.030
where: short stacking energy: -122.169
Base-Backbone interact. energy: -0.634
local terms energy: -138.957959
where:
bonds (distance) C4'-P energy: -32.381
bonds (distance) P-C4' energy: -19.527
flat angles C4'-P-C4' energy: -32.037
flat angles P-C4'-P energy: -20.275
tors. eta vs tors. theta energy: -34.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -338.070815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.070815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.070815 (E_RNA)
where:
Base-Base interactions energy: -210.899
where: short stacking energy: -107.083
Base-Backbone interact. energy: -0.940
local terms energy: -126.231171
where:
bonds (distance) C4'-P energy: -26.881
bonds (distance) P-C4' energy: -34.669
flat angles C4'-P-C4' energy: -26.133
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -23.904
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: 1
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -278.755322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.755322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.755322 (E_RNA)
where:
Base-Base interactions energy: -170.139
where: short stacking energy: -83.583
Base-Backbone interact. energy: -0.301
local terms energy: -108.314855
where:
bonds (distance) C4'-P energy: -29.492
bonds (distance) P-C4' energy: -32.631
flat angles C4'-P-C4' energy: -28.194
flat angles P-C4'-P energy: -4.581
tors. eta vs tors. theta energy: -13.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -595.783609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.783609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.783609 (E_RNA)
where:
Base-Base interactions energy: -417.933
where: short stacking energy: -189.134
Base-Backbone interact. energy: -0.236
local terms energy: -177.614968
where:
bonds (distance) C4'-P energy: -28.188
bonds (distance) P-C4' energy: -29.671
flat angles C4'-P-C4' energy: -37.344
flat angles P-C4'-P energy: -30.140
tors. eta vs tors. theta energy: -52.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -563.558452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.558452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.558452 (E_RNA)
where:
Base-Base interactions energy: -387.944
where: short stacking energy: -168.086
Base-Backbone interact. energy: -0.252
local terms energy: -175.362378
where:
bonds (distance) C4'-P energy: -29.547
bonds (distance) P-C4' energy: -29.345
flat angles C4'-P-C4' energy: -38.651
flat angles P-C4'-P energy: -27.293
tors. eta vs tors. theta energy: -50.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -565.449976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.449976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.449976 (E_RNA)
where:
Base-Base interactions energy: -393.924
where: short stacking energy: -175.967
Base-Backbone interact. energy: -0.759
local terms energy: -170.767171
where:
bonds (distance) C4'-P energy: -28.848
bonds (distance) P-C4' energy: -33.928
flat angles C4'-P-C4' energy: -32.862
flat angles P-C4'-P energy: -26.975
tors. eta vs tors. theta energy: -48.154
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: 7
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -551.964079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.964079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.964079 (E_RNA)
where:
Base-Base interactions energy: -391.307
where: short stacking energy: -153.373
Base-Backbone interact. energy: -0.705
local terms energy: -159.951743
where:
bonds (distance) C4'-P energy: -27.187
bonds (distance) P-C4' energy: -32.703
flat angles C4'-P-C4' energy: -35.674
flat angles P-C4'-P energy: -21.153
tors. eta vs tors. theta energy: -43.234
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: 4
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -511.963096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.963096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.963096 (E_RNA)
where:
Base-Base interactions energy: -362.843
where: short stacking energy: -151.993
Base-Backbone interact. energy: -0.494
local terms energy: -148.626169
where:
bonds (distance) C4'-P energy: -26.925
bonds (distance) P-C4' energy: -25.030
flat angles C4'-P-C4' energy: -35.029
flat angles P-C4'-P energy: -24.783
tors. eta vs tors. theta energy: -36.859
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: 6
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -509.497970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.497970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.497970 (E_RNA)
where:
Base-Base interactions energy: -354.142
where: short stacking energy: -160.917
Base-Backbone interact. energy: -0.146
local terms energy: -155.209686
where:
bonds (distance) C4'-P energy: -26.255
bonds (distance) P-C4' energy: -27.716
flat angles C4'-P-C4' energy: -36.531
flat angles P-C4'-P energy: -19.165
tors. eta vs tors. theta energy: -45.542
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: 5
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -495.771256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.771256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.771256 (E_RNA)
where:
Base-Base interactions energy: -354.204
where: short stacking energy: -146.333
Base-Backbone interact. energy: 2.019
local terms energy: -143.586055
where:
bonds (distance) C4'-P energy: -28.346
bonds (distance) P-C4' energy: -33.474
flat angles C4'-P-C4' energy: -24.298
flat angles P-C4'-P energy: -16.969
tors. eta vs tors. theta energy: -40.499
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: 10
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -406.133236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.133236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.133236 (E_RNA)
where:
Base-Base interactions energy: -270.781
where: short stacking energy: -114.927
Base-Backbone interact. energy: -0.037
local terms energy: -135.314813
where:
bonds (distance) C4'-P energy: -34.229
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -30.325
flat angles P-C4'-P energy: -19.279
tors. eta vs tors. theta energy: -32.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -346.994808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.994808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.994808 (E_RNA)
where:
Base-Base interactions energy: -230.463
where: short stacking energy: -103.188
Base-Backbone interact. energy: 0.135
local terms energy: -116.666836
where:
bonds (distance) C4'-P energy: -24.096
bonds (distance) P-C4' energy: -24.786
flat angles C4'-P-C4' energy: -31.481
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: -21.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -290.994957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.994957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.994957 (E_RNA)
where:
Base-Base interactions energy: -184.145
where: short stacking energy: -92.737
Base-Backbone interact. energy: -0.380
local terms energy: -106.470006
where:
bonds (distance) C4'-P energy: -34.112
bonds (distance) P-C4' energy: -20.333
flat angles C4'-P-C4' energy: -23.936
flat angles P-C4'-P energy: -17.862
tors. eta vs tors. theta energy: -10.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -582.972998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.972998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.972998 (E_RNA)
where:
Base-Base interactions energy: -406.237
where: short stacking energy: -174.430
Base-Backbone interact. energy: -0.744
local terms energy: -175.991494
where:
bonds (distance) C4'-P energy: -28.414
bonds (distance) P-C4' energy: -34.925
flat angles C4'-P-C4' energy: -38.194
flat angles P-C4'-P energy: -23.987
tors. eta vs tors. theta energy: -50.471
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: 2, replica: 9
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -571.351758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.351758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.351758 (E_RNA)
where:
Base-Base interactions energy: -401.300
where: short stacking energy: -169.243
Base-Backbone interact. energy: -0.196
local terms energy: -169.856337
where:
bonds (distance) C4'-P energy: -31.567
bonds (distance) P-C4' energy: -31.995
flat angles C4'-P-C4' energy: -33.898
flat angles P-C4'-P energy: -21.046
tors. eta vs tors. theta energy: -51.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -559.055016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.055016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.055016 (E_RNA)
where:
Base-Base interactions energy: -386.680
where: short stacking energy: -172.900
Base-Backbone interact. energy: -0.104
local terms energy: -172.271161
where:
bonds (distance) C4'-P energy: -33.038
bonds (distance) P-C4' energy: -32.566
flat angles C4'-P-C4' energy: -32.891
flat angles P-C4'-P energy: -24.694
tors. eta vs tors. theta energy: -49.083
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: 306
Temperature: 1.050000
Total energy: -539.504455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.504455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.504455 (E_RNA)
where:
Base-Base interactions energy: -372.374
where: short stacking energy: -155.688
Base-Backbone interact. energy: 0.066
local terms energy: -167.196284
where:
bonds (distance) C4'-P energy: -35.301
bonds (distance) P-C4' energy: -26.735
flat angles C4'-P-C4' energy: -34.199
flat angles P-C4'-P energy: -25.613
tors. eta vs tors. theta energy: -45.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -514.456387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.456387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.456387 (E_RNA)
where:
Base-Base interactions energy: -355.512
where: short stacking energy: -153.138
Base-Backbone interact. energy: -0.158
local terms energy: -158.786814
where:
bonds (distance) C4'-P energy: -24.428
bonds (distance) P-C4' energy: -29.765
flat angles C4'-P-C4' energy: -36.704
flat angles P-C4'-P energy: -26.546
tors. eta vs tors. theta energy: -41.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -476.513718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.513718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.513718 (E_RNA)
where:
Base-Base interactions energy: -330.424
where: short stacking energy: -138.322
Base-Backbone interact. energy: 0.191
local terms energy: -146.280732
where:
bonds (distance) C4'-P energy: -27.255
bonds (distance) P-C4' energy: -24.835
flat angles C4'-P-C4' energy: -31.002
flat angles P-C4'-P energy: -25.838
tors. eta vs tors. theta energy: -37.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -508.915623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.915623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.915623 (E_RNA)
where:
Base-Base interactions energy: -357.014
where: short stacking energy: -162.045
Base-Backbone interact. energy: -2.289
local terms energy: -149.612191
where:
bonds (distance) C4'-P energy: -22.535
bonds (distance) P-C4' energy: -31.039
flat angles C4'-P-C4' energy: -34.154
flat angles P-C4'-P energy: -18.386
tors. eta vs tors. theta energy: -43.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -422.821410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.821410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.821410 (E_RNA)
where:
Base-Base interactions energy: -292.090
where: short stacking energy: -130.001
Base-Backbone interact. energy: 0.117
local terms energy: -130.849262
where:
bonds (distance) C4'-P energy: -27.389
bonds (distance) P-C4' energy: -23.750
flat angles C4'-P-C4' energy: -24.773
flat angles P-C4'-P energy: -20.394
tors. eta vs tors. theta energy: -34.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -342.701423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.701423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.701423 (E_RNA)
where:
Base-Base interactions energy: -231.568
where: short stacking energy: -111.739
Base-Backbone interact. energy: -0.764
local terms energy: -110.369184
where:
bonds (distance) C4'-P energy: -23.060
bonds (distance) P-C4' energy: -24.889
flat angles C4'-P-C4' energy: -26.963
flat angles P-C4'-P energy: -17.748
tors. eta vs tors. theta energy: -17.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -297.567157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.567157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.567157 (E_RNA)
where:
Base-Base interactions energy: -178.919
where: short stacking energy: -87.632
Base-Backbone interact. energy: -0.267
local terms energy: -118.381026
where:
bonds (distance) C4'-P energy: -20.434
bonds (distance) P-C4' energy: -31.853
flat angles C4'-P-C4' energy: -29.509
flat angles P-C4'-P energy: -16.471
tors. eta vs tors. theta energy: -20.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -586.425384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.425384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.425384 (E_RNA)
where:
Base-Base interactions energy: -407.863
where: short stacking energy: -174.471
Base-Backbone interact. energy: -0.175
local terms energy: -178.387199
where:
bonds (distance) C4'-P energy: -36.721
bonds (distance) P-C4' energy: -29.192
flat angles C4'-P-C4' energy: -35.393
flat angles P-C4'-P energy: -25.864
tors. eta vs tors. theta energy: -51.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -568.495967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.495967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.495967 (E_RNA)
where:
Base-Base interactions energy: -394.783
where: short stacking energy: -157.768
Base-Backbone interact. energy: -0.179
local terms energy: -173.534030
where:
bonds (distance) C4'-P energy: -33.299
bonds (distance) P-C4' energy: -31.801
flat angles C4'-P-C4' energy: -34.773
flat angles P-C4'-P energy: -26.456
tors. eta vs tors. theta energy: -47.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -543.933521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.933521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.933521 (E_RNA)
where:
Base-Base interactions energy: -384.547
where: short stacking energy: -153.737
Base-Backbone interact. energy: -0.678
local terms energy: -158.708526
where:
bonds (distance) C4'-P energy: -24.967
bonds (distance) P-C4' energy: -30.143
flat angles C4'-P-C4' energy: -31.434
flat angles P-C4'-P energy: -27.532
tors. eta vs tors. theta energy: -44.632
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: 2
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -557.984420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.984420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.984420 (E_RNA)
where:
Base-Base interactions energy: -396.536
where: short stacking energy: -172.824
Base-Backbone interact. energy: -0.695
local terms energy: -160.753945
where:
bonds (distance) C4'-P energy: -23.325
bonds (distance) P-C4' energy: -33.103
flat angles C4'-P-C4' energy: -30.281
flat angles P-C4'-P energy: -23.824
tors. eta vs tors. theta energy: -50.221
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: 6
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -532.680046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.680046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.680046 (E_RNA)
where:
Base-Base interactions energy: -364.257
where: short stacking energy: -159.756
Base-Backbone interact. energy: -1.209
local terms energy: -167.213666
where:
bonds (distance) C4'-P energy: -31.542
bonds (distance) P-C4' energy: -28.035
flat angles C4'-P-C4' energy: -35.556
flat angles P-C4'-P energy: -23.189
tors. eta vs tors. theta energy: -48.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -483.610089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.610089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.610089 (E_RNA)
where:
Base-Base interactions energy: -317.986
where: short stacking energy: -139.042
Base-Backbone interact. energy: -0.999
local terms energy: -164.624332
where:
bonds (distance) C4'-P energy: -28.049
bonds (distance) P-C4' energy: -34.118
flat angles C4'-P-C4' energy: -34.955
flat angles P-C4'-P energy: -25.590
tors. eta vs tors. theta energy: -41.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -497.693542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.693542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.693542 (E_RNA)
where:
Base-Base interactions energy: -349.515
where: short stacking energy: -154.248
Base-Backbone interact. energy: -0.136
local terms energy: -148.042539
where:
bonds (distance) C4'-P energy: -27.709
bonds (distance) P-C4' energy: -22.545
flat angles C4'-P-C4' energy: -32.978
flat angles P-C4'-P energy: -24.276
tors. eta vs tors. theta energy: -40.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -437.860217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.860217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.860217 (E_RNA)
where:
Base-Base interactions energy: -293.755
where: short stacking energy: -141.798
Base-Backbone interact. energy: -0.204
local terms energy: -143.900766
where:
bonds (distance) C4'-P energy: -32.002
bonds (distance) P-C4' energy: -25.150
flat angles C4'-P-C4' energy: -31.998
flat angles P-C4'-P energy: -19.073
tors. eta vs tors. theta energy: -35.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -336.376569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.376569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.376569 (E_RNA)
where:
Base-Base interactions energy: -226.293
where: short stacking energy: -89.845
Base-Backbone interact. energy: -0.503
local terms energy: -109.580104
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -25.310
flat angles C4'-P-C4' energy: -30.401
flat angles P-C4'-P energy: -19.610
tors. eta vs tors. theta energy: -16.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -303.543317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.543317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.543317 (E_RNA)
where:
Base-Base interactions energy: -172.113
where: short stacking energy: -82.358
Base-Backbone interact. energy: 1.069
local terms energy: -132.498517
where:
bonds (distance) C4'-P energy: -29.230
bonds (distance) P-C4' energy: -32.789
flat angles C4'-P-C4' energy: -36.407
flat angles P-C4'-P energy: -20.475
tors. eta vs tors. theta energy: -13.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -575.241260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.241260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.241260 (E_RNA)
where:
Base-Base interactions energy: -399.760
where: short stacking energy: -166.921
Base-Backbone interact. energy: -0.397
local terms energy: -175.083752
where:
bonds (distance) C4'-P energy: -27.862
bonds (distance) P-C4' energy: -38.099
flat angles C4'-P-C4' energy: -37.984
flat angles P-C4'-P energy: -20.597
tors. eta vs tors. theta energy: -50.541
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: 8
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -576.616884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.616884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.616884 (E_RNA)
where:
Base-Base interactions energy: -399.157
where: short stacking energy: -174.178
Base-Backbone interact. energy: -0.594
local terms energy: -176.866109
where:
bonds (distance) C4'-P energy: -36.817
bonds (distance) P-C4' energy: -33.403
flat angles C4'-P-C4' energy: -36.399
flat angles P-C4'-P energy: -19.930
tors. eta vs tors. theta energy: -50.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -547.793723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.793723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.793723 (E_RNA)
where:
Base-Base interactions energy: -385.059
where: short stacking energy: -171.670
Base-Backbone interact. energy: -1.712
local terms energy: -161.023652
where:
bonds (distance) C4'-P energy: -27.182
bonds (distance) P-C4' energy: -29.381
flat angles C4'-P-C4' energy: -32.330
flat angles P-C4'-P energy: -25.106
tors. eta vs tors. theta energy: -47.025
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: 7
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -559.376237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.376237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.376237 (E_RNA)
where:
Base-Base interactions energy: -402.209
where: short stacking energy: -155.119
Base-Backbone interact. energy: -0.215
local terms energy: -156.952274
where:
bonds (distance) C4'-P energy: -32.399
bonds (distance) P-C4' energy: -33.173
flat angles C4'-P-C4' energy: -33.739
flat angles P-C4'-P energy: -17.664
tors. eta vs tors. theta energy: -39.976
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: 6
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -519.144560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.144560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.144560 (E_RNA)
where:
Base-Base interactions energy: -352.120
where: short stacking energy: -158.626
Base-Backbone interact. energy: -0.158
local terms energy: -166.866898
where:
bonds (distance) C4'-P energy: -33.532
bonds (distance) P-C4' energy: -31.060
flat angles C4'-P-C4' energy: -29.915
flat angles P-C4'-P energy: -27.551
tors. eta vs tors. theta energy: -44.808
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: 4
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -469.056993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.056993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.056993 (E_RNA)
where:
Base-Base interactions energy: -319.571
where: short stacking energy: -147.574
Base-Backbone interact. energy: -0.021
local terms energy: -149.465575
where:
bonds (distance) C4'-P energy: -30.057
bonds (distance) P-C4' energy: -32.046
flat angles C4'-P-C4' energy: -27.218
flat angles P-C4'-P energy: -16.860
tors. eta vs tors. theta energy: -43.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -494.125614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.125614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.125614 (E_RNA)
where:
Base-Base interactions energy: -350.419
where: short stacking energy: -146.036
Base-Backbone interact. energy: -0.089
local terms energy: -143.617224
where:
bonds (distance) C4'-P energy: -25.449
bonds (distance) P-C4' energy: -27.707
flat angles C4'-P-C4' energy: -25.404
flat angles P-C4'-P energy: -22.271
tors. eta vs tors. theta energy: -42.786
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: 8, replica: 10
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -418.574502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.574502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.574502 (E_RNA)
where:
Base-Base interactions energy: -283.688
where: short stacking energy: -117.580
Base-Backbone interact. energy: -0.200
local terms energy: -134.685839
where:
bonds (distance) C4'-P energy: -35.354
bonds (distance) P-C4' energy: -30.383
flat angles C4'-P-C4' energy: -27.034
flat angles P-C4'-P energy: -18.691
tors. eta vs tors. theta energy: -23.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -328.461772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.461772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.461772 (E_RNA)
where:
Base-Base interactions energy: -197.484
where: short stacking energy: -104.140
Base-Backbone interact. energy: -0.277
local terms energy: -130.700826
where:
bonds (distance) C4'-P energy: -33.685
bonds (distance) P-C4' energy: -25.235
flat angles C4'-P-C4' energy: -26.361
flat angles P-C4'-P energy: -22.769
tors. eta vs tors. theta energy: -22.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -308.696016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.696016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.696016 (E_RNA)
where:
Base-Base interactions energy: -193.019
where: short stacking energy: -104.367
Base-Backbone interact. energy: -1.085
local terms energy: -114.591768
where:
bonds (distance) C4'-P energy: -19.069
bonds (distance) P-C4' energy: -24.759
flat angles C4'-P-C4' energy: -33.939
flat angles P-C4'-P energy: -14.646
tors. eta vs tors. theta energy: -22.179
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: 9
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -575.857129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.857129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.857129 (E_RNA)
where:
Base-Base interactions energy: -401.151
where: short stacking energy: -167.863
Base-Backbone interact. energy: -0.122
local terms energy: -174.584203
where:
bonds (distance) C4'-P energy: -32.070
bonds (distance) P-C4' energy: -34.782
flat angles C4'-P-C4' energy: -34.135
flat angles P-C4'-P energy: -25.610
tors. eta vs tors. theta energy: -47.986
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: 2, replica: 2
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -568.248320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.248320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.248320 (E_RNA)
where:
Base-Base interactions energy: -391.761
where: short stacking energy: -177.578
Base-Backbone interact. energy: -0.062
local terms energy: -176.425091
where:
bonds (distance) C4'-P energy: -32.906
bonds (distance) P-C4' energy: -36.206
flat angles C4'-P-C4' energy: -38.736
flat angles P-C4'-P energy: -22.562
tors. eta vs tors. theta energy: -46.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -558.691927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.691927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.691927 (E_RNA)
where:
Base-Base interactions energy: -393.490
where: short stacking energy: -171.023
Base-Backbone interact. energy: -0.633
local terms energy: -164.569288
where:
bonds (distance) C4'-P energy: -29.502
bonds (distance) P-C4' energy: -30.767
flat angles C4'-P-C4' energy: -35.429
flat angles P-C4'-P energy: -20.206
tors. eta vs tors. theta energy: -48.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -553.509606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.509606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.509606 (E_RNA)
where:
Base-Base interactions energy: -396.034
where: short stacking energy: -172.620
Base-Backbone interact. energy: -0.384
local terms energy: -157.091240
where:
bonds (distance) C4'-P energy: -25.040
bonds (distance) P-C4' energy: -32.853
flat angles C4'-P-C4' energy: -28.855
flat angles P-C4'-P energy: -27.741
tors. eta vs tors. theta energy: -42.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -539.383927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.383927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.383927 (E_RNA)
where:
Base-Base interactions energy: -384.509
where: short stacking energy: -154.718
Base-Backbone interact. energy: -0.499
local terms energy: -154.375836
where:
bonds (distance) C4'-P energy: -25.709
bonds (distance) P-C4' energy: -30.614
flat angles C4'-P-C4' energy: -35.040
flat angles P-C4'-P energy: -21.523
tors. eta vs tors. theta energy: -41.489
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: 309
Temperature: 1.150000
Total energy: -528.449675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.449675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.449675 (E_RNA)
where:
Base-Base interactions energy: -367.173
where: short stacking energy: -157.232
Base-Backbone interact. energy: -0.147
local terms energy: -161.129298
where:
bonds (distance) C4'-P energy: -28.049
bonds (distance) P-C4' energy: -33.905
flat angles C4'-P-C4' energy: -33.155
flat angles P-C4'-P energy: -20.390
tors. eta vs tors. theta energy: -45.631
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: 4
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -471.828774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.828774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.828774 (E_RNA)
where:
Base-Base interactions energy: -320.559
where: short stacking energy: -156.131
Base-Backbone interact. energy: -0.667
local terms energy: -150.602331
where:
bonds (distance) C4'-P energy: -27.606
bonds (distance) P-C4' energy: -22.061
flat angles C4'-P-C4' energy: -32.949
flat angles P-C4'-P energy: -23.293
tors. eta vs tors. theta energy: -44.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -434.284070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.284070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.284070 (E_RNA)
where:
Base-Base interactions energy: -297.080
where: short stacking energy: -130.376
Base-Backbone interact. energy: -0.299
local terms energy: -136.904985
where:
bonds (distance) C4'-P energy: -29.647
bonds (distance) P-C4' energy: -28.013
flat angles C4'-P-C4' energy: -31.200
flat angles P-C4'-P energy: -18.860
tors. eta vs tors. theta energy: -29.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -311.881541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.881541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.881541 (E_RNA)
where:
Base-Base interactions energy: -208.440
where: short stacking energy: -96.387
Base-Backbone interact. energy: -0.188
local terms energy: -103.253552
where:
bonds (distance) C4'-P energy: -19.844
bonds (distance) P-C4' energy: -25.964
flat angles C4'-P-C4' energy: -18.463
flat angles P-C4'-P energy: -16.160
tors. eta vs tors. theta energy: -22.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -347.621765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.621765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.621765 (E_RNA)
where:
Base-Base interactions energy: -216.662
where: short stacking energy: -101.824
Base-Backbone interact. energy: 2.018
local terms energy: -132.978210
where:
bonds (distance) C4'-P energy: -31.514
bonds (distance) P-C4' energy: -32.354
flat angles C4'-P-C4' energy: -29.541
flat angles P-C4'-P energy: -22.916
tors. eta vs tors. theta energy: -16.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -585.324861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.324861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.324861 (E_RNA)
where:
Base-Base interactions energy: -403.892
where: short stacking energy: -181.184
Base-Backbone interact. energy: -0.170
local terms energy: -181.263600
where:
bonds (distance) C4'-P energy: -28.749
bonds (distance) P-C4' energy: -36.202
flat angles C4'-P-C4' energy: -37.782
flat angles P-C4'-P energy: -27.857
tors. eta vs tors. theta energy: -50.674
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: 9
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -563.385491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.385491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.385491 (E_RNA)
where:
Base-Base interactions energy: -390.420
where: short stacking energy: -177.722
Base-Backbone interact. energy: 0.860
local terms energy: -173.825882
where:
bonds (distance) C4'-P energy: -28.545
bonds (distance) P-C4' energy: -32.914
flat angles C4'-P-C4' energy: -33.915
flat angles P-C4'-P energy: -28.007
tors. eta vs tors. theta energy: -50.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -561.176572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.176572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.176572 (E_RNA)
where:
Base-Base interactions energy: -396.450
where: short stacking energy: -158.904
Base-Backbone interact. energy: -0.264
local terms energy: -164.462578
where:
bonds (distance) C4'-P energy: -34.813
bonds (distance) P-C4' energy: -28.089
flat angles C4'-P-C4' energy: -32.785
flat angles P-C4'-P energy: -25.741
tors. eta vs tors. theta energy: -43.034
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: 4, replica: 8
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -552.882917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.882917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.882917 (E_RNA)
where:
Base-Base interactions energy: -383.002
where: short stacking energy: -174.147
Base-Backbone interact. energy: -0.780
local terms energy: -169.100706
where:
bonds (distance) C4'-P energy: -30.400
bonds (distance) P-C4' energy: -34.868
flat angles C4'-P-C4' energy: -32.773
flat angles P-C4'-P energy: -25.339
tors. eta vs tors. theta energy: -45.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -514.317015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.317015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.317015 (E_RNA)
where:
Base-Base interactions energy: -359.470
where: short stacking energy: -154.768
Base-Backbone interact. energy: -0.947
local terms energy: -153.899563
where:
bonds (distance) C4'-P energy: -20.761
bonds (distance) P-C4' energy: -29.879
flat angles C4'-P-C4' energy: -31.253
flat angles P-C4'-P energy: -26.884
tors. eta vs tors. theta energy: -45.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -535.067615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.067615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.067615 (E_RNA)
where:
Base-Base interactions energy: -371.116
where: short stacking energy: -169.351
Base-Backbone interact. energy: -1.738
local terms energy: -162.213580
where:
bonds (distance) C4'-P energy: -32.370
bonds (distance) P-C4' energy: -36.735
flat angles C4'-P-C4' energy: -28.751
flat angles P-C4'-P energy: -19.184
tors. eta vs tors. theta energy: -45.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -417.923141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.923141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.923141 (E_RNA)
where:
Base-Base interactions energy: -280.384
where: short stacking energy: -121.926
Base-Backbone interact. energy: -0.791
local terms energy: -136.748099
where:
bonds (distance) C4'-P energy: -27.779
bonds (distance) P-C4' energy: -27.108
flat angles C4'-P-C4' energy: -27.257
flat angles P-C4'-P energy: -24.658
tors. eta vs tors. theta energy: -29.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -470.674972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.674972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.674972 (E_RNA)
where:
Base-Base interactions energy: -330.224
where: short stacking energy: -148.022
Base-Backbone interact. energy: -0.276
local terms energy: -140.175400
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -33.164
flat angles C4'-P-C4' energy: -33.510
flat angles P-C4'-P energy: -16.001
tors. eta vs tors. theta energy: -42.301
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: 1
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -342.885991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.885991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.885991 (E_RNA)
where:
Base-Base interactions energy: -223.629
where: short stacking energy: -101.804
Base-Backbone interact. energy: -0.381
local terms energy: -118.875457
where:
bonds (distance) C4'-P energy: -23.223
bonds (distance) P-C4' energy: -32.346
flat angles C4'-P-C4' energy: -25.473
flat angles P-C4'-P energy: -20.388
tors. eta vs tors. theta energy: -17.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -303.111397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.111397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.111397 (E_RNA)
where:
Base-Base interactions energy: -190.312
where: short stacking energy: -92.894
Base-Backbone interact. energy: -0.390
local terms energy: -112.409759
where:
bonds (distance) C4'-P energy: -23.452
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -35.144
flat angles P-C4'-P energy: -20.616
tors. eta vs tors. theta energy: -17.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -586.425198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.425198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.425198 (E_RNA)
where:
Base-Base interactions energy: -416.783
where: short stacking energy: -188.174
Base-Backbone interact. energy: -0.418
local terms energy: -169.224480
where:
bonds (distance) C4'-P energy: -34.011
bonds (distance) P-C4' energy: -33.058
flat angles C4'-P-C4' energy: -33.308
flat angles P-C4'-P energy: -21.634
tors. eta vs tors. theta energy: -47.214
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: 9
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -576.715254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.715254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.715254 (E_RNA)
where:
Base-Base interactions energy: -405.683
where: short stacking energy: -167.824
Base-Backbone interact. energy: -1.305
local terms energy: -169.726754
where:
bonds (distance) C4'-P energy: -36.405
bonds (distance) P-C4' energy: -32.503
flat angles C4'-P-C4' energy: -28.189
flat angles P-C4'-P energy: -23.457
tors. eta vs tors. theta energy: -49.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -543.042235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.042235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.042235 (E_RNA)
where:
Base-Base interactions energy: -398.890
where: short stacking energy: -153.230
Base-Backbone interact. energy: -0.505
local terms energy: -143.647820
where:
bonds (distance) C4'-P energy: -27.393
bonds (distance) P-C4' energy: -28.267
flat angles C4'-P-C4' energy: -30.619
flat angles P-C4'-P energy: -18.216
tors. eta vs tors. theta energy: -39.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -558.350970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.350970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.350970 (E_RNA)
where:
Base-Base interactions energy: -386.316
where: short stacking energy: -168.055
Base-Backbone interact. energy: -1.947
local terms energy: -170.087466
where:
bonds (distance) C4'-P energy: -33.781
bonds (distance) P-C4' energy: -30.429
flat angles C4'-P-C4' energy: -37.350
flat angles P-C4'-P energy: -19.752
tors. eta vs tors. theta energy: -48.776
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: 5, replica: 5
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -532.248578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.248578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.248578 (E_RNA)
where:
Base-Base interactions energy: -369.606
where: short stacking energy: -156.973
Base-Backbone interact. energy: -0.410
local terms energy: -162.233468
where:
bonds (distance) C4'-P energy: -32.549
bonds (distance) P-C4' energy: -34.761
flat angles C4'-P-C4' energy: -29.774
flat angles P-C4'-P energy: -18.126
tors. eta vs tors. theta energy: -47.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -440.638322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.638322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.638322 (E_RNA)
where:
Base-Base interactions energy: -303.217
where: short stacking energy: -132.202
Base-Backbone interact. energy: -0.464
local terms energy: -136.957257
where:
bonds (distance) C4'-P energy: -28.359
bonds (distance) P-C4' energy: -29.918
flat angles C4'-P-C4' energy: -31.850
flat angles P-C4'-P energy: -17.078
tors. eta vs tors. theta energy: -29.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -523.645089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.645089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.645089 (E_RNA)
where:
Base-Base interactions energy: -380.304
where: short stacking energy: -163.364
Base-Backbone interact. energy: -1.201
local terms energy: -142.139593
where:
bonds (distance) C4'-P energy: -27.585
bonds (distance) P-C4' energy: -25.773
flat angles C4'-P-C4' energy: -27.054
flat angles P-C4'-P energy: -17.257
tors. eta vs tors. theta energy: -44.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -427.211623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.211623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.211623 (E_RNA)
where:
Base-Base interactions energy: -290.320
where: short stacking energy: -118.515
Base-Backbone interact. energy: -0.405
local terms energy: -136.487053
where:
bonds (distance) C4'-P energy: -33.742
bonds (distance) P-C4' energy: -24.219
flat angles C4'-P-C4' energy: -29.354
flat angles P-C4'-P energy: -21.160
tors. eta vs tors. theta energy: -28.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -319.808686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.808686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.808686 (E_RNA)
where:
Base-Base interactions energy: -215.853
where: short stacking energy: -96.774
Base-Backbone interact. energy: -0.729
local terms energy: -103.226568
where:
bonds (distance) C4'-P energy: -26.489
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -26.328
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -20.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -314.054158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.054158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.054158 (E_RNA)
where:
Base-Base interactions energy: -201.699
where: short stacking energy: -87.019
Base-Backbone interact. energy: -0.153
local terms energy: -112.201993
where:
bonds (distance) C4'-P energy: -20.937
bonds (distance) P-C4' energy: -27.263
flat angles C4'-P-C4' energy: -27.540
flat angles P-C4'-P energy: -21.903
tors. eta vs tors. theta energy: -14.559
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: 2
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -580.725567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.725567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.725567 (E_RNA)
where:
Base-Base interactions energy: -411.808
where: short stacking energy: -183.604
Base-Backbone interact. energy: -0.627
local terms energy: -168.290298
where:
bonds (distance) C4'-P energy: -27.751
bonds (distance) P-C4' energy: -31.503
flat angles C4'-P-C4' energy: -35.127
flat angles P-C4'-P energy: -25.036
tors. eta vs tors. theta energy: -48.873
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: 9
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -565.356740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.356740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.356740 (E_RNA)
where:
Base-Base interactions energy: -392.703
where: short stacking energy: -163.995
Base-Backbone interact. energy: -0.214
local terms energy: -172.439641
where:
bonds (distance) C4'-P energy: -30.368
bonds (distance) P-C4' energy: -35.557
flat angles C4'-P-C4' energy: -34.011
flat angles P-C4'-P energy: -26.847
tors. eta vs tors. theta energy: -45.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -567.915151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.915151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.915151 (E_RNA)
where:
Base-Base interactions energy: -402.767
where: short stacking energy: -177.366
Base-Backbone interact. energy: -0.034
local terms energy: -165.113824
where:
bonds (distance) C4'-P energy: -26.157
bonds (distance) P-C4' energy: -35.053
flat angles C4'-P-C4' energy: -33.303
flat angles P-C4'-P energy: -21.542
tors. eta vs tors. theta energy: -49.060
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: 7
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -543.581033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.581033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.581033 (E_RNA)
where:
Base-Base interactions energy: -390.322
where: short stacking energy: -158.796
Base-Backbone interact. energy: -0.341
local terms energy: -152.918331
where:
bonds (distance) C4'-P energy: -24.885
bonds (distance) P-C4' energy: -27.588
flat angles C4'-P-C4' energy: -30.765
flat angles P-C4'-P energy: -27.026
tors. eta vs tors. theta energy: -42.655
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: 5, replica: 5
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -542.474381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.474381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.474381 (E_RNA)
where:
Base-Base interactions energy: -380.975
where: short stacking energy: -173.759
Base-Backbone interact. energy: -0.094
local terms energy: -161.405728
where:
bonds (distance) C4'-P energy: -24.918
bonds (distance) P-C4' energy: -33.357
flat angles C4'-P-C4' energy: -31.948
flat angles P-C4'-P energy: -22.834
tors. eta vs tors. theta energy: -48.350
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: 10
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -487.606982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.606982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.606982 (E_RNA)
where:
Base-Base interactions energy: -345.530
where: short stacking energy: -138.699
Base-Backbone interact. energy: -1.117
local terms energy: -140.960134
where:
bonds (distance) C4'-P energy: -27.461
bonds (distance) P-C4' energy: -23.731
flat angles C4'-P-C4' energy: -32.057
flat angles P-C4'-P energy: -22.789
tors. eta vs tors. theta energy: -34.922
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: 7, replica: 6
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -515.697881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.697881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.697881 (E_RNA)
where:
Base-Base interactions energy: -355.302
where: short stacking energy: -152.043
Base-Backbone interact. energy: -0.547
local terms energy: -159.848726
where:
bonds (distance) C4'-P energy: -31.697
bonds (distance) P-C4' energy: -27.919
flat angles C4'-P-C4' energy: -30.989
flat angles P-C4'-P energy: -25.754
tors. eta vs tors. theta energy: -43.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -413.531932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.531932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.531932 (E_RNA)
where:
Base-Base interactions energy: -284.464
where: short stacking energy: -125.383
Base-Backbone interact. energy: -0.214
local terms energy: -128.853793
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -27.971
flat angles C4'-P-C4' energy: -37.384
flat angles P-C4'-P energy: -14.661
tors. eta vs tors. theta energy: -32.447
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: 3
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -338.328892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.328892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.328892 (E_RNA)
where:
Base-Base interactions energy: -214.049
where: short stacking energy: -115.565
Base-Backbone interact. energy: -0.142
local terms energy: -124.137805
where:
bonds (distance) C4'-P energy: -22.310
bonds (distance) P-C4' energy: -19.672
flat angles C4'-P-C4' energy: -26.522
flat angles P-C4'-P energy: -22.933
tors. eta vs tors. theta energy: -32.701
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: 1
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -340.773673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.773673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.773673 (E_RNA)
where:
Base-Base interactions energy: -238.833
where: short stacking energy: -106.323
Base-Backbone interact. energy: 0.329
local terms energy: -102.269496
where:
bonds (distance) C4'-P energy: -33.467
bonds (distance) P-C4' energy: -27.066
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -16.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -575.212776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.212776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.212776 (E_RNA)
where:
Base-Base interactions energy: -403.343
where: short stacking energy: -170.921
Base-Backbone interact. energy: -0.453
local terms energy: -171.417276
where:
bonds (distance) C4'-P energy: -33.637
bonds (distance) P-C4' energy: -32.815
flat angles C4'-P-C4' energy: -38.955
flat angles P-C4'-P energy: -26.953
tors. eta vs tors. theta energy: -39.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -573.138572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.138572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.138572 (E_RNA)
where:
Base-Base interactions energy: -403.904
where: short stacking energy: -167.276
Base-Backbone interact. energy: -0.556
local terms energy: -168.679172
where:
bonds (distance) C4'-P energy: -31.258
bonds (distance) P-C4' energy: -30.708
flat angles C4'-P-C4' energy: -33.171
flat angles P-C4'-P energy: -23.722
tors. eta vs tors. theta energy: -49.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -560.082808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.082808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.082808 (E_RNA)
where:
Base-Base interactions energy: -387.852
where: short stacking energy: -172.542
Base-Backbone interact. energy: -0.395
local terms energy: -171.836560
where:
bonds (distance) C4'-P energy: -33.863
bonds (distance) P-C4' energy: -27.523
flat angles C4'-P-C4' energy: -34.348
flat angles P-C4'-P energy: -26.496
tors. eta vs tors. theta energy: -49.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -548.269438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.269438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.269438 (E_RNA)
where:
Base-Base interactions energy: -379.447
where: short stacking energy: -174.771
Base-Backbone interact. energy: -0.153
local terms energy: -168.669306
where:
bonds (distance) C4'-P energy: -28.361
bonds (distance) P-C4' energy: -34.217
flat angles C4'-P-C4' energy: -35.187
flat angles P-C4'-P energy: -23.484
tors. eta vs tors. theta energy: -47.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -543.728764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.728764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.728764 (E_RNA)
where:
Base-Base interactions energy: -392.070
where: short stacking energy: -160.206
Base-Backbone interact. energy: -0.948
local terms energy: -150.710747
where:
bonds (distance) C4'-P energy: -30.334
bonds (distance) P-C4' energy: -33.948
flat angles C4'-P-C4' energy: -29.610
flat angles P-C4'-P energy: -15.824
tors. eta vs tors. theta energy: -40.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -506.778119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.778119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.778119 (E_RNA)
where:
Base-Base interactions energy: -350.536
where: short stacking energy: -152.897
Base-Backbone interact. energy: -0.760
local terms energy: -155.481740
where:
bonds (distance) C4'-P energy: -25.601
bonds (distance) P-C4' energy: -32.754
flat angles C4'-P-C4' energy: -27.776
flat angles P-C4'-P energy: -27.602
tors. eta vs tors. theta energy: -41.748
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: 10
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -457.011109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.011109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.011109 (E_RNA)
where:
Base-Base interactions energy: -345.860
where: short stacking energy: -134.228
Base-Backbone interact. energy: 0.081
local terms energy: -111.232107
where:
bonds (distance) C4'-P energy: -23.726
bonds (distance) P-C4' energy: -29.978
flat angles C4'-P-C4' energy: -25.800
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -23.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -472.564158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.564158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.564158 (E_RNA)
where:
Base-Base interactions energy: -329.730
where: short stacking energy: -137.021
Base-Backbone interact. energy: -1.210
local terms energy: -141.623964
where:
bonds (distance) C4'-P energy: -32.146
bonds (distance) P-C4' energy: -25.784
flat angles C4'-P-C4' energy: -34.416
flat angles P-C4'-P energy: -16.261
tors. eta vs tors. theta energy: -33.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -346.066161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.066161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.066161 (E_RNA)
where:
Base-Base interactions energy: -224.609
where: short stacking energy: -112.279
Base-Backbone interact. energy: -0.724
local terms energy: -120.733422
where:
bonds (distance) C4'-P energy: -24.196
bonds (distance) P-C4' energy: -30.621
flat angles C4'-P-C4' energy: -18.915
flat angles P-C4'-P energy: -21.331
tors. eta vs tors. theta energy: -25.670
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: 1
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -357.682388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.682388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.682388 (E_RNA)
where:
Base-Base interactions energy: -236.472
where: short stacking energy: -105.841
Base-Backbone interact. energy: -1.073
local terms energy: -120.137203
where:
bonds (distance) C4'-P energy: -23.689
bonds (distance) P-C4' energy: -24.912
flat angles C4'-P-C4' energy: -26.172
flat angles P-C4'-P energy: -20.193
tors. eta vs tors. theta energy: -25.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -578.417952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.417952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.417952 (E_RNA)
where:
Base-Base interactions energy: -416.677
where: short stacking energy: -179.305
Base-Backbone interact. energy: -0.442
local terms energy: -161.298625
where:
bonds (distance) C4'-P energy: -28.775
bonds (distance) P-C4' energy: -26.369
flat angles C4'-P-C4' energy: -36.706
flat angles P-C4'-P energy: -20.231
tors. eta vs tors. theta energy: -49.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -584.350621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.350621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.350621 (E_RNA)
where:
Base-Base interactions energy: -406.728
where: short stacking energy: -166.197
Base-Backbone interact. energy: -0.560
local terms energy: -177.062096
where:
bonds (distance) C4'-P energy: -33.581
bonds (distance) P-C4' energy: -31.299
flat angles C4'-P-C4' energy: -37.689
flat angles P-C4'-P energy: -23.721
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: 3, replica: 5
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -547.495571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.495571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.495571 (E_RNA)
where:
Base-Base interactions energy: -377.311
where: short stacking energy: -155.215
Base-Backbone interact. energy: -0.392
local terms energy: -169.792848
where:
bonds (distance) C4'-P energy: -33.187
bonds (distance) P-C4' energy: -30.477
flat angles C4'-P-C4' energy: -35.212
flat angles P-C4'-P energy: -26.508
tors. eta vs tors. theta energy: -44.409
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: 8
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -559.408091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.408091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.408091 (E_RNA)
where:
Base-Base interactions energy: -390.630
where: short stacking energy: -169.840
Base-Backbone interact. energy: 0.094
local terms energy: -168.872061
where:
bonds (distance) C4'-P energy: -34.933
bonds (distance) P-C4' energy: -26.006
flat angles C4'-P-C4' energy: -34.427
flat angles P-C4'-P energy: -22.407
tors. eta vs tors. theta energy: -51.099
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: 7
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -528.877890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.877890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.877890 (E_RNA)
where:
Base-Base interactions energy: -376.980
where: short stacking energy: -141.380
Base-Backbone interact. energy: -1.509
local terms energy: -150.389426
where:
bonds (distance) C4'-P energy: -23.215
bonds (distance) P-C4' energy: -36.219
flat angles C4'-P-C4' energy: -31.496
flat angles P-C4'-P energy: -24.196
tors. eta vs tors. theta energy: -35.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -510.682410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.682410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.682410 (E_RNA)
where:
Base-Base interactions energy: -359.263
where: short stacking energy: -153.659
Base-Backbone interact. energy: 0.359
local terms energy: -151.777962
where:
bonds (distance) C4'-P energy: -29.861
bonds (distance) P-C4' energy: -27.939
flat angles C4'-P-C4' energy: -25.983
flat angles P-C4'-P energy: -20.622
tors. eta vs tors. theta energy: -47.372
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: 4
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -465.672072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.672072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.672072 (E_RNA)
where:
Base-Base interactions energy: -331.929
where: short stacking energy: -130.237
Base-Backbone interact. energy: -0.545
local terms energy: -133.197788
where:
bonds (distance) C4'-P energy: -25.300
bonds (distance) P-C4' energy: -29.094
flat angles C4'-P-C4' energy: -28.117
flat angles P-C4'-P energy: -23.171
tors. eta vs tors. theta energy: -27.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -406.463258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.463258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.463258 (E_RNA)
where:
Base-Base interactions energy: -279.921
where: short stacking energy: -121.089
Base-Backbone interact. energy: 2.374
local terms energy: -128.916238
where:
bonds (distance) C4'-P energy: -20.406
bonds (distance) P-C4' energy: -32.309
flat angles C4'-P-C4' energy: -31.133
flat angles P-C4'-P energy: -17.189
tors. eta vs tors. theta energy: -27.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -349.722484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.722484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.722484 (E_RNA)
where:
Base-Base interactions energy: -216.041
where: short stacking energy: -105.984
Base-Backbone interact. energy: -0.024
local terms energy: -133.656993
where:
bonds (distance) C4'-P energy: -29.173
bonds (distance) P-C4' energy: -29.388
flat angles C4'-P-C4' energy: -33.285
flat angles P-C4'-P energy: -17.524
tors. eta vs tors. theta energy: -24.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -379.197988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.197988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.197988 (E_RNA)
where:
Base-Base interactions energy: -253.601
where: short stacking energy: -120.859
Base-Backbone interact. energy: 1.399
local terms energy: -126.996167
where:
bonds (distance) C4'-P energy: -27.856
bonds (distance) P-C4' energy: -23.351
flat angles C4'-P-C4' energy: -33.789
flat angles P-C4'-P energy: -16.268
tors. eta vs tors. theta energy: -25.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -572.559137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.559137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.559137 (E_RNA)
where:
Base-Base interactions energy: -401.121
where: short stacking energy: -181.730
Base-Backbone interact. energy: -0.573
local terms energy: -170.865160
where:
bonds (distance) C4'-P energy: -30.967
bonds (distance) P-C4' energy: -29.015
flat angles C4'-P-C4' energy: -37.497
flat angles P-C4'-P energy: -21.714
tors. eta vs tors. theta energy: -51.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -575.089753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.089753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.089753 (E_RNA)
where:
Base-Base interactions energy: -396.975
where: short stacking energy: -170.728
Base-Backbone interact. energy: -0.046
local terms energy: -178.068249
where:
bonds (distance) C4'-P energy: -28.861
bonds (distance) P-C4' energy: -36.265
flat angles C4'-P-C4' energy: -37.094
flat angles P-C4'-P energy: -27.656
tors. eta vs tors. theta energy: -48.192
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: 9
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -570.592438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.592438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.592438 (E_RNA)
where:
Base-Base interactions energy: -396.003
where: short stacking energy: -158.227
Base-Backbone interact. energy: -1.458
local terms energy: -173.131085
where:
bonds (distance) C4'-P energy: -32.400
bonds (distance) P-C4' energy: -34.269
flat angles C4'-P-C4' energy: -32.775
flat angles P-C4'-P energy: -24.557
tors. eta vs tors. theta energy: -49.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -560.119670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.119670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.119670 (E_RNA)
where:
Base-Base interactions energy: -401.509
where: short stacking energy: -175.912
Base-Backbone interact. energy: -0.150
local terms energy: -158.461338
where:
bonds (distance) C4'-P energy: -27.452
bonds (distance) P-C4' energy: -28.352
flat angles C4'-P-C4' energy: -29.248
flat angles P-C4'-P energy: -24.266
tors. eta vs tors. theta energy: -49.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -520.848792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.848792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.848792 (E_RNA)
where:
Base-Base interactions energy: -378.568
where: short stacking energy: -150.530
Base-Backbone interact. energy: -0.790
local terms energy: -141.491558
where:
bonds (distance) C4'-P energy: -28.289
bonds (distance) P-C4' energy: -24.930
flat angles C4'-P-C4' energy: -26.765
flat angles P-C4'-P energy: -20.980
tors. eta vs tors. theta energy: -40.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -517.524134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.524134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.524134 (E_RNA)
where:
Base-Base interactions energy: -358.877
where: short stacking energy: -158.878
Base-Backbone interact. energy: -0.247
local terms energy: -158.400176
where:
bonds (distance) C4'-P energy: -28.466
bonds (distance) P-C4' energy: -29.777
flat angles C4'-P-C4' energy: -34.532
flat angles P-C4'-P energy: -21.855
tors. eta vs tors. theta energy: -43.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -479.114425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.114425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.114425 (E_RNA)
where:
Base-Base interactions energy: -338.609
where: short stacking energy: -127.054
Base-Backbone interact. energy: -0.767
local terms energy: -139.738466
where:
bonds (distance) C4'-P energy: -22.896
bonds (distance) P-C4' energy: -33.380
flat angles C4'-P-C4' energy: -30.866
flat angles P-C4'-P energy: -22.219
tors. eta vs tors. theta energy: -30.378
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: 8, replica: 10
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -424.032848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.032848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.032848 (E_RNA)
where:
Base-Base interactions energy: -282.454
where: short stacking energy: -115.614
Base-Backbone interact. energy: -1.972
local terms energy: -139.606291
where:
bonds (distance) C4'-P energy: -33.050
bonds (distance) P-C4' energy: -27.164
flat angles C4'-P-C4' energy: -28.837
flat angles P-C4'-P energy: -23.757
tors. eta vs tors. theta energy: -26.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -384.366650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.366650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.366650 (E_RNA)
where:
Base-Base interactions energy: -267.761
where: short stacking energy: -112.349
Base-Backbone interact. energy: -0.039
local terms energy: -116.567488
where:
bonds (distance) C4'-P energy: -21.040
bonds (distance) P-C4' energy: -27.505
flat angles C4'-P-C4' energy: -26.225
flat angles P-C4'-P energy: -14.392
tors. eta vs tors. theta energy: -27.405
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: 3
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -330.401307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.401307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.401307 (E_RNA)
where:
Base-Base interactions energy: -214.091
where: short stacking energy: -88.712
Base-Backbone interact. energy: -0.336
local terms energy: -115.974254
where:
bonds (distance) C4'-P energy: -23.594
bonds (distance) P-C4' energy: -29.013
flat angles C4'-P-C4' energy: -26.085
flat angles P-C4'-P energy: -23.508
tors. eta vs tors. theta energy: -13.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -572.872243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.872243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.872243 (E_RNA)
where:
Base-Base interactions energy: -403.740
where: short stacking energy: -169.703
Base-Backbone interact. energy: -0.942
local terms energy: -168.189923
where:
bonds (distance) C4'-P energy: -32.856
bonds (distance) P-C4' energy: -32.704
flat angles C4'-P-C4' energy: -32.246
flat angles P-C4'-P energy: -26.752
tors. eta vs tors. theta energy: -43.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -561.141509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.141509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.141509 (E_RNA)
where:
Base-Base interactions energy: -392.111
where: short stacking energy: -169.371
Base-Backbone interact. energy: -1.363
local terms energy: -167.667531
where:
bonds (distance) C4'-P energy: -29.692
bonds (distance) P-C4' energy: -30.530
flat angles C4'-P-C4' energy: -36.163
flat angles P-C4'-P energy: -25.263
tors. eta vs tors. theta energy: -46.019
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: 8
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -563.844074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.844074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.844074 (E_RNA)
where:
Base-Base interactions energy: -403.872
where: short stacking energy: -168.925
Base-Backbone interact. energy: -1.509
local terms energy: -158.462953
where:
bonds (distance) C4'-P energy: -32.399
bonds (distance) P-C4' energy: -25.649
flat angles C4'-P-C4' energy: -32.528
flat angles P-C4'-P energy: -18.275
tors. eta vs tors. theta energy: -49.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -556.937762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.937762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.937762 (E_RNA)
where:
Base-Base interactions energy: -382.904
where: short stacking energy: -149.650
Base-Backbone interact. energy: -0.888
local terms energy: -173.145118
where:
bonds (distance) C4'-P energy: -38.433
bonds (distance) P-C4' energy: -21.983
flat angles C4'-P-C4' energy: -38.981
flat angles P-C4'-P energy: -26.596
tors. eta vs tors. theta energy: -47.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -541.704412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.704412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.704412 (E_RNA)
where:
Base-Base interactions energy: -372.260
where: short stacking energy: -175.909
Base-Backbone interact. energy: -0.006
local terms energy: -169.438379
where:
bonds (distance) C4'-P energy: -20.764
bonds (distance) P-C4' energy: -34.117
flat angles C4'-P-C4' energy: -34.228
flat angles P-C4'-P energy: -30.203
tors. eta vs tors. theta energy: -50.126
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: 7
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -508.001889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.001889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.001889 (E_RNA)
where:
Base-Base interactions energy: -352.254
where: short stacking energy: -142.809
Base-Backbone interact. energy: 0.099
local terms energy: -155.846492
where:
bonds (distance) C4'-P energy: -32.863
bonds (distance) P-C4' energy: -33.551
flat angles C4'-P-C4' energy: -32.378
flat angles P-C4'-P energy: -22.411
tors. eta vs tors. theta energy: -34.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -423.453204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.453204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.453204 (E_RNA)
where:
Base-Base interactions energy: -277.005
where: short stacking energy: -126.487
Base-Backbone interact. energy: -1.050
local terms energy: -145.397708
where:
bonds (distance) C4'-P energy: -30.052
bonds (distance) P-C4' energy: -30.675
flat angles C4'-P-C4' energy: -33.222
flat angles P-C4'-P energy: -23.032
tors. eta vs tors. theta energy: -28.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -452.360273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.360273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.360273 (E_RNA)
where:
Base-Base interactions energy: -323.583
where: short stacking energy: -142.730
Base-Backbone interact. energy: -0.283
local terms energy: -128.494362
where:
bonds (distance) C4'-P energy: -18.250
bonds (distance) P-C4' energy: -27.961
flat angles C4'-P-C4' energy: -30.702
flat angles P-C4'-P energy: -21.577
tors. eta vs tors. theta energy: -30.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -368.270471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.270471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.270471 (E_RNA)
where:
Base-Base interactions energy: -245.083
where: short stacking energy: -103.169
Base-Backbone interact. energy: -1.176
local terms energy: -122.011295
where:
bonds (distance) C4'-P energy: -30.329
bonds (distance) P-C4' energy: -24.906
flat angles C4'-P-C4' energy: -23.087
flat angles P-C4'-P energy: -21.932
tors. eta vs tors. theta energy: -21.758
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: 10, replica: 1
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -336.372395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.372395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.372395 (E_RNA)
where:
Base-Base interactions energy: -214.369
where: short stacking energy: -95.155
Base-Backbone interact. energy: 2.447
local terms energy: -124.450558
where:
bonds (distance) C4'-P energy: -29.844
bonds (distance) P-C4' energy: -25.547
flat angles C4'-P-C4' energy: -29.641
flat angles P-C4'-P energy: -24.376
tors. eta vs tors. theta energy: -15.042
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: 2
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -569.052452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.052452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.052452 (E_RNA)
where:
Base-Base interactions energy: -406.986
where: short stacking energy: -180.579
Base-Backbone interact. energy: -0.662
local terms energy: -161.404993
where:
bonds (distance) C4'-P energy: -36.252
bonds (distance) P-C4' energy: -30.126
flat angles C4'-P-C4' energy: -32.686
flat angles P-C4'-P energy: -21.137
tors. eta vs tors. theta energy: -41.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -570.209772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.209772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.209772 (E_RNA)
where:
Base-Base interactions energy: -399.646
where: short stacking energy: -177.672
Base-Backbone interact. energy: 0.201
local terms energy: -170.764720
where:
bonds (distance) C4'-P energy: -28.640
bonds (distance) P-C4' energy: -36.785
flat angles C4'-P-C4' energy: -35.842
flat angles P-C4'-P energy: -21.946
tors. eta vs tors. theta energy: -47.551
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: 8
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -558.488990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.488990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.488990 (E_RNA)
where:
Base-Base interactions energy: -388.979
where: short stacking energy: -176.796
Base-Backbone interact. energy: -0.719
local terms energy: -168.791482
where:
bonds (distance) C4'-P energy: -32.342
bonds (distance) P-C4' energy: -33.383
flat angles C4'-P-C4' energy: -31.689
flat angles P-C4'-P energy: -21.456
tors. eta vs tors. theta energy: -49.922
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: 4, replica: 9
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -563.054852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.054852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.054852 (E_RNA)
where:
Base-Base interactions energy: -385.277
where: short stacking energy: -159.905
Base-Backbone interact. energy: -0.499
local terms energy: -177.279506
where:
bonds (distance) C4'-P energy: -34.726
bonds (distance) P-C4' energy: -33.589
flat angles C4'-P-C4' energy: -38.370
flat angles P-C4'-P energy: -21.259
tors. eta vs tors. theta energy: -49.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -525.339592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.339592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.339592 (E_RNA)
where:
Base-Base interactions energy: -354.862
where: short stacking energy: -151.759
Base-Backbone interact. energy: -1.323
local terms energy: -169.155082
where:
bonds (distance) C4'-P energy: -30.480
bonds (distance) P-C4' energy: -26.517
flat angles C4'-P-C4' energy: -36.061
flat angles P-C4'-P energy: -25.617
tors. eta vs tors. theta energy: -50.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -523.267004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.267004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.267004 (E_RNA)
where:
Base-Base interactions energy: -380.094
where: short stacking energy: -144.332
Base-Backbone interact. energy: -0.809
local terms energy: -142.363991
where:
bonds (distance) C4'-P energy: -20.335
bonds (distance) P-C4' energy: -26.901
flat angles C4'-P-C4' energy: -33.019
flat angles P-C4'-P energy: -18.896
tors. eta vs tors. theta energy: -43.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -417.727502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.727502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.727502 (E_RNA)
where:
Base-Base interactions energy: -285.092
where: short stacking energy: -122.969
Base-Backbone interact. energy: -0.688
local terms energy: -131.947992
where:
bonds (distance) C4'-P energy: -24.781
bonds (distance) P-C4' energy: -30.361
flat angles C4'-P-C4' energy: -27.536
flat angles P-C4'-P energy: -20.269
tors. eta vs tors. theta energy: -29.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -451.872793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.872793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.872793 (E_RNA)
where:
Base-Base interactions energy: -314.922
where: short stacking energy: -131.264
Base-Backbone interact. energy: 0.335
local terms energy: -137.286247
where:
bonds (distance) C4'-P energy: -31.904
bonds (distance) P-C4' energy: -27.307
flat angles C4'-P-C4' energy: -28.621
flat angles P-C4'-P energy: -17.823
tors. eta vs tors. theta energy: -31.632
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: 3
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -343.934073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.934073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.934073 (E_RNA)
where:
Base-Base interactions energy: -242.867
where: short stacking energy: -104.939
Base-Backbone interact. energy: 0.173
local terms energy: -101.239980
where:
bonds (distance) C4'-P energy: -23.570
bonds (distance) P-C4' energy: -21.126
flat angles C4'-P-C4' energy: -26.307
flat angles P-C4'-P energy: -15.937
tors. eta vs tors. theta energy: -14.300
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: 1
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -312.887421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.887421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.887421 (E_RNA)
where:
Base-Base interactions energy: -203.639
where: short stacking energy: -113.515
Base-Backbone interact. energy: -0.540
local terms energy: -108.708757
where:
bonds (distance) C4'-P energy: -18.470
bonds (distance) P-C4' energy: -19.225
flat angles C4'-P-C4' energy: -30.441
flat angles P-C4'-P energy: -17.216
tors. eta vs tors. theta energy: -23.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -568.427814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.427814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.427814 (E_RNA)
where:
Base-Base interactions energy: -392.537
where: short stacking energy: -167.052
Base-Backbone interact. energy: 0.046
local terms energy: -175.936432
where:
bonds (distance) C4'-P energy: -36.151
bonds (distance) P-C4' energy: -32.446
flat angles C4'-P-C4' energy: -37.166
flat angles P-C4'-P energy: -19.747
tors. eta vs tors. theta energy: -50.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -560.830173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.830173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.830173 (E_RNA)
where:
Base-Base interactions energy: -391.936
where: short stacking energy: -163.444
Base-Backbone interact. energy: -0.088
local terms energy: -168.805230
where:
bonds (distance) C4'-P energy: -32.663
bonds (distance) P-C4' energy: -34.735
flat angles C4'-P-C4' energy: -35.064
flat angles P-C4'-P energy: -23.611
tors. eta vs tors. theta energy: -42.732
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: 8
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -576.214484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.214484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.214484 (E_RNA)
where:
Base-Base interactions energy: -394.688
where: short stacking energy: -163.623
Base-Backbone interact. energy: -2.022
local terms energy: -179.503783
where:
bonds (distance) C4'-P energy: -35.504
bonds (distance) P-C4' energy: -28.434
flat angles C4'-P-C4' energy: -37.431
flat angles P-C4'-P energy: -28.890
tors. eta vs tors. theta energy: -49.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -551.674539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.674539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.674539 (E_RNA)
where:
Base-Base interactions energy: -397.616
where: short stacking energy: -168.771
Base-Backbone interact. energy: -0.168
local terms energy: -153.889935
where:
bonds (distance) C4'-P energy: -33.807
bonds (distance) P-C4' energy: -25.230
flat angles C4'-P-C4' energy: -31.542
flat angles P-C4'-P energy: -17.456
tors. eta vs tors. theta energy: -45.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -539.516812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.516812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.516812 (E_RNA)
where:
Base-Base interactions energy: -364.257
where: short stacking energy: -165.802
Base-Backbone interact. energy: 0.243
local terms energy: -175.502235
where:
bonds (distance) C4'-P energy: -32.345
bonds (distance) P-C4' energy: -28.895
flat angles C4'-P-C4' energy: -34.223
flat angles P-C4'-P energy: -26.764
tors. eta vs tors. theta energy: -53.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -529.162015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.162015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.162015 (E_RNA)
where:
Base-Base interactions energy: -375.594
where: short stacking energy: -150.151
Base-Backbone interact. energy: -0.099
local terms energy: -153.468739
where:
bonds (distance) C4'-P energy: -33.004
bonds (distance) P-C4' energy: -33.205
flat angles C4'-P-C4' energy: -32.649
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -42.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -435.763158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.763158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.763158 (E_RNA)
where:
Base-Base interactions energy: -314.011
where: short stacking energy: -126.838
Base-Backbone interact. energy: -0.355
local terms energy: -121.396536
where:
bonds (distance) C4'-P energy: -26.490
bonds (distance) P-C4' energy: -30.377
flat angles C4'-P-C4' energy: -23.747
flat angles P-C4'-P energy: -13.817
tors. eta vs tors. theta energy: -26.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -360.051471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.051471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.051471 (E_RNA)
where:
Base-Base interactions energy: -230.555
where: short stacking energy: -126.035
Base-Backbone interact. energy: -0.172
local terms energy: -129.323882
where:
bonds (distance) C4'-P energy: -19.039
bonds (distance) P-C4' energy: -23.655
flat angles C4'-P-C4' energy: -35.846
flat angles P-C4'-P energy: -18.566
tors. eta vs tors. theta energy: -32.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -336.685118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.685118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.685118 (E_RNA)
where:
Base-Base interactions energy: -227.766
where: short stacking energy: -100.473
Base-Backbone interact. energy: -1.517
local terms energy: -107.402159
where:
bonds (distance) C4'-P energy: -22.448
bonds (distance) P-C4' energy: -29.709
flat angles C4'-P-C4' energy: -25.206
flat angles P-C4'-P energy: -14.919
tors. eta vs tors. theta energy: -15.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -291.254888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.254888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.254888 (E_RNA)
where:
Base-Base interactions energy: -173.194
where: short stacking energy: -89.933
Base-Backbone interact. energy: 1.530
local terms energy: -119.591105
where:
bonds (distance) C4'-P energy: -30.147
bonds (distance) P-C4' energy: -27.433
flat angles C4'-P-C4' energy: -32.283
flat angles P-C4'-P energy: -18.473
tors. eta vs tors. theta energy: -11.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -574.656642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.656642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.656642 (E_RNA)
where:
Base-Base interactions energy: -404.809
where: short stacking energy: -165.924
Base-Backbone interact. energy: -0.064
local terms energy: -169.784012
where:
bonds (distance) C4'-P energy: -33.471
bonds (distance) P-C4' energy: -31.982
flat angles C4'-P-C4' energy: -31.919
flat angles P-C4'-P energy: -27.576
tors. eta vs tors. theta energy: -44.836
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: 319
Temperature: 0.950000
Total energy: -553.450124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.450124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.450124 (E_RNA)
where:
Base-Base interactions energy: -392.158
where: short stacking energy: -159.706
Base-Backbone interact. energy: -1.135
local terms energy: -160.156846
where:
bonds (distance) C4'-P energy: -29.672
bonds (distance) P-C4' energy: -32.097
flat angles C4'-P-C4' energy: -33.937
flat angles P-C4'-P energy: -22.093
tors. eta vs tors. theta energy: -42.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -560.639429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.639429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.639429 (E_RNA)
where:
Base-Base interactions energy: -392.475
where: short stacking energy: -176.914
Base-Backbone interact. energy: -0.160
local terms energy: -168.004243
where:
bonds (distance) C4'-P energy: -30.801
bonds (distance) P-C4' energy: -28.784
flat angles C4'-P-C4' energy: -35.968
flat angles P-C4'-P energy: -24.413
tors. eta vs tors. theta energy: -48.037
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: 9
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -562.218383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.218383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.218383 (E_RNA)
where:
Base-Base interactions energy: -406.613
where: short stacking energy: -171.120
Base-Backbone interact. energy: -0.574
local terms energy: -155.030734
where:
bonds (distance) C4'-P energy: -26.823
bonds (distance) P-C4' energy: -23.621
flat angles C4'-P-C4' energy: -34.327
flat angles P-C4'-P energy: -18.814
tors. eta vs tors. theta energy: -51.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -531.238444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.238444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.238444 (E_RNA)
where:
Base-Base interactions energy: -370.063
where: short stacking energy: -169.447
Base-Backbone interact. energy: -0.326
local terms energy: -160.849410
where:
bonds (distance) C4'-P energy: -27.961
bonds (distance) P-C4' energy: -26.604
flat angles C4'-P-C4' energy: -35.365
flat angles P-C4'-P energy: -22.917
tors. eta vs tors. theta energy: -48.002
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: 7
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -526.795023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.795023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.795023 (E_RNA)
where:
Base-Base interactions energy: -372.531
where: short stacking energy: -159.599
Base-Backbone interact. energy: -0.227
local terms energy: -154.037342
where:
bonds (distance) C4'-P energy: -27.836
bonds (distance) P-C4' energy: -31.878
flat angles C4'-P-C4' energy: -28.089
flat angles P-C4'-P energy: -22.646
tors. eta vs tors. theta energy: -43.588
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: 4
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -440.502525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.502525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.502525 (E_RNA)
where:
Base-Base interactions energy: -296.149
where: short stacking energy: -137.286
Base-Backbone interact. energy: -1.175
local terms energy: -143.179030
where:
bonds (distance) C4'-P energy: -28.598
bonds (distance) P-C4' energy: -31.842
flat angles C4'-P-C4' energy: -34.002
flat angles P-C4'-P energy: -20.322
tors. eta vs tors. theta energy: -28.415
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: 10
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -362.689881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.689881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.689881 (E_RNA)
where:
Base-Base interactions energy: -232.489
where: short stacking energy: -112.257
Base-Backbone interact. energy: 0.255
local terms energy: -130.455549
where:
bonds (distance) C4'-P energy: -30.081
bonds (distance) P-C4' energy: -29.658
flat angles C4'-P-C4' energy: -31.454
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -25.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -343.556462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.556462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.556462 (E_RNA)
where:
Base-Base interactions energy: -224.076
where: short stacking energy: -96.436
Base-Backbone interact. energy: -0.634
local terms energy: -118.845731
where:
bonds (distance) C4'-P energy: -20.921
bonds (distance) P-C4' energy: -36.140
flat angles C4'-P-C4' energy: -24.192
flat angles P-C4'-P energy: -15.574
tors. eta vs tors. theta energy: -22.018
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: 1
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -286.810955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.810955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.810955 (E_RNA)
where:
Base-Base interactions energy: -183.458
where: short stacking energy: -93.954
Base-Backbone interact. energy: -0.295
local terms energy: -103.058086
where:
bonds (distance) C4'-P energy: -23.162
bonds (distance) P-C4' energy: -23.782
flat angles C4'-P-C4' energy: -24.646
flat angles P-C4'-P energy: -13.875
tors. eta vs tors. theta energy: -17.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -576.495243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.495243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.495243 (E_RNA)
where:
Base-Base interactions energy: -400.997
where: short stacking energy: -176.228
Base-Backbone interact. energy: 0.192
local terms energy: -175.690836
where:
bonds (distance) C4'-P energy: -31.027
bonds (distance) P-C4' energy: -34.592
flat angles C4'-P-C4' energy: -40.710
flat angles P-C4'-P energy: -22.501
tors. eta vs tors. theta energy: -46.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -567.002172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.002172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.002172 (E_RNA)
where:
Base-Base interactions energy: -395.066
where: short stacking energy: -167.206
Base-Backbone interact. energy: -0.682
local terms energy: -171.253703
where:
bonds (distance) C4'-P energy: -36.337
bonds (distance) P-C4' energy: -29.699
flat angles C4'-P-C4' energy: -37.515
flat angles P-C4'-P energy: -26.665
tors. eta vs tors. theta energy: -41.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -565.129219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.129219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.129219 (E_RNA)
where:
Base-Base interactions energy: -392.585
where: short stacking energy: -161.341
Base-Backbone interact. energy: -0.113
local terms energy: -172.431357
where:
bonds (distance) C4'-P energy: -25.153
bonds (distance) P-C4' energy: -37.992
flat angles C4'-P-C4' energy: -34.874
flat angles P-C4'-P energy: -27.473
tors. eta vs tors. theta energy: -46.940
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: 4, replica: 8
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -546.712788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.712788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.712788 (E_RNA)
where:
Base-Base interactions energy: -385.315
where: short stacking energy: -167.014
Base-Backbone interact. energy: -0.998
local terms energy: -160.400318
where:
bonds (distance) C4'-P energy: -23.964
bonds (distance) P-C4' energy: -31.587
flat angles C4'-P-C4' energy: -32.791
flat angles P-C4'-P energy: -23.261
tors. eta vs tors. theta energy: -48.797
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: 6
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -530.174123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.174123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.174123 (E_RNA)
where:
Base-Base interactions energy: -359.096
where: short stacking energy: -168.688
Base-Backbone interact. energy: -1.022
local terms energy: -170.056587
where:
bonds (distance) C4'-P energy: -32.559
bonds (distance) P-C4' energy: -26.504
flat angles C4'-P-C4' energy: -33.418
flat angles P-C4'-P energy: -23.187
tors. eta vs tors. theta energy: -54.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -531.352568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.352568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.352568 (E_RNA)
where:
Base-Base interactions energy: -387.783
where: short stacking energy: -163.897
Base-Backbone interact. energy: -0.956
local terms energy: -142.613456
where:
bonds (distance) C4'-P energy: -23.138
bonds (distance) P-C4' energy: -25.700
flat angles C4'-P-C4' energy: -27.675
flat angles P-C4'-P energy: -19.633
tors. eta vs tors. theta energy: -46.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -404.676669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.676669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.676669 (E_RNA)
where:
Base-Base interactions energy: -272.785
where: short stacking energy: -126.908
Base-Backbone interact. energy: -0.514
local terms energy: -131.376873
where:
bonds (distance) C4'-P energy: -29.727
bonds (distance) P-C4' energy: -19.878
flat angles C4'-P-C4' energy: -33.701
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -34.369
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: 4
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -444.071610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.071610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.071610 (E_RNA)
where:
Base-Base interactions energy: -296.567
where: short stacking energy: -127.035
Base-Backbone interact. energy: -1.635
local terms energy: -145.869428
where:
bonds (distance) C4'-P energy: -32.537
bonds (distance) P-C4' energy: -28.045
flat angles C4'-P-C4' energy: -32.791
flat angles P-C4'-P energy: -16.981
tors. eta vs tors. theta energy: -35.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -336.786715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.786715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.786715 (E_RNA)
where:
Base-Base interactions energy: -210.614
where: short stacking energy: -101.632
Base-Backbone interact. energy: -0.487
local terms energy: -125.685688
where:
bonds (distance) C4'-P energy: -33.166
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -35.590
flat angles P-C4'-P energy: -15.576
tors. eta vs tors. theta energy: -21.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -322.682446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.682446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.682446 (E_RNA)
where:
Base-Base interactions energy: -209.677
where: short stacking energy: -103.218
Base-Backbone interact. energy: -0.334
local terms energy: -112.670699
where:
bonds (distance) C4'-P energy: -17.366
bonds (distance) P-C4' energy: -31.284
flat angles C4'-P-C4' energy: -28.782
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -23.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -574.107330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.107330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.107330 (E_RNA)
where:
Base-Base interactions energy: -401.916
where: short stacking energy: -174.245
Base-Backbone interact. energy: -0.744
local terms energy: -171.447201
where:
bonds (distance) C4'-P energy: -30.761
bonds (distance) P-C4' energy: -33.182
flat angles C4'-P-C4' energy: -37.092
flat angles P-C4'-P energy: -24.265
tors. eta vs tors. theta energy: -46.148
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: 321
Temperature: 0.950000
Total energy: -566.566989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.566989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.566989 (E_RNA)
where:
Base-Base interactions energy: -405.609
where: short stacking energy: -172.092
Base-Backbone interact. energy: 1.114
local terms energy: -162.071262
where:
bonds (distance) C4'-P energy: -26.118
bonds (distance) P-C4' energy: -30.924
flat angles C4'-P-C4' energy: -37.588
flat angles P-C4'-P energy: -23.955
tors. eta vs tors. theta energy: -43.486
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: 9
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -560.828264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.828264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.828264 (E_RNA)
where:
Base-Base interactions energy: -406.741
where: short stacking energy: -169.449
Base-Backbone interact. energy: 0.217
local terms energy: -154.303741
where:
bonds (distance) C4'-P energy: -31.670
bonds (distance) P-C4' energy: -30.017
flat angles C4'-P-C4' energy: -29.395
flat angles P-C4'-P energy: -16.330
tors. eta vs tors. theta energy: -46.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -530.069939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.069939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.069939 (E_RNA)
where:
Base-Base interactions energy: -358.798
where: short stacking energy: -168.084
Base-Backbone interact. energy: -0.202
local terms energy: -171.070244
where:
bonds (distance) C4'-P energy: -35.396
bonds (distance) P-C4' energy: -26.594
flat angles C4'-P-C4' energy: -34.328
flat angles P-C4'-P energy: -25.702
tors. eta vs tors. theta energy: -49.050
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: 8
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -545.226024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.226024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.226024 (E_RNA)
where:
Base-Base interactions energy: -379.423
where: short stacking energy: -165.411
Base-Backbone interact. energy: 0.020
local terms energy: -165.823526
where:
bonds (distance) C4'-P energy: -34.681
bonds (distance) P-C4' energy: -34.797
flat angles C4'-P-C4' energy: -32.585
flat angles P-C4'-P energy: -19.892
tors. eta vs tors. theta energy: -43.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -519.212749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.212749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.212749 (E_RNA)
where:
Base-Base interactions energy: -382.843
where: short stacking energy: -149.208
Base-Backbone interact. energy: 2.187
local terms energy: -138.557286
where:
bonds (distance) C4'-P energy: -25.920
bonds (distance) P-C4' energy: -29.178
flat angles C4'-P-C4' energy: -31.899
flat angles P-C4'-P energy: -19.650
tors. eta vs tors. theta energy: -31.910
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: 10
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -376.190652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.190652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.190652 (E_RNA)
where:
Base-Base interactions energy: -236.232
where: short stacking energy: -116.544
Base-Backbone interact. energy: -0.194
local terms energy: -139.765340
where:
bonds (distance) C4'-P energy: -30.067
bonds (distance) P-C4' energy: -29.998
flat angles C4'-P-C4' energy: -28.770
flat angles P-C4'-P energy: -22.740
tors. eta vs tors. theta energy: -28.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -444.906602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.906602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.906602 (E_RNA)
where:
Base-Base interactions energy: -310.701
where: short stacking energy: -141.068
Base-Backbone interact. energy: -0.186
local terms energy: -134.019517
where:
bonds (distance) C4'-P energy: -20.741
bonds (distance) P-C4' energy: -25.320
flat angles C4'-P-C4' energy: -32.808
flat angles P-C4'-P energy: -17.596
tors. eta vs tors. theta energy: -37.554
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: 1
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -341.121842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.121842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.121842 (E_RNA)
where:
Base-Base interactions energy: -222.612
where: short stacking energy: -114.317
Base-Backbone interact. energy: -2.030
local terms energy: -116.479417
where:
bonds (distance) C4'-P energy: -17.597
bonds (distance) P-C4' energy: -27.095
flat angles C4'-P-C4' energy: -26.529
flat angles P-C4'-P energy: -20.045
tors. eta vs tors. theta energy: -25.213
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: 3
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -301.544243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.544243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.544243 (E_RNA)
where:
Base-Base interactions energy: -186.369
where: short stacking energy: -84.266
Base-Backbone interact. energy: -0.574
local terms energy: -114.600783
where:
bonds (distance) C4'-P energy: -29.857
bonds (distance) P-C4' energy: -26.385
flat angles C4'-P-C4' energy: -29.328
flat angles P-C4'-P energy: -14.809
tors. eta vs tors. theta energy: -14.222
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: 5
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -585.229807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.229807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.229807 (E_RNA)
where:
Base-Base interactions energy: -415.281
where: short stacking energy: -185.206
Base-Backbone interact. energy: -0.236
local terms energy: -169.712636
where:
bonds (distance) C4'-P energy: -33.330
bonds (distance) P-C4' energy: -35.364
flat angles C4'-P-C4' energy: -32.765
flat angles P-C4'-P energy: -20.723
tors. eta vs tors. theta energy: -47.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -566.852927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.852927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.852927 (E_RNA)
where:
Base-Base interactions energy: -391.207
where: short stacking energy: -163.369
Base-Backbone interact. energy: -0.182
local terms energy: -175.463494
where:
bonds (distance) C4'-P energy: -32.430
bonds (distance) P-C4' energy: -34.927
flat angles C4'-P-C4' energy: -35.496
flat angles P-C4'-P energy: -25.311
tors. eta vs tors. theta energy: -47.299
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: 9
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -567.779413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.779413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.779413 (E_RNA)
where:
Base-Base interactions energy: -401.333
where: short stacking energy: -165.837
Base-Backbone interact. energy: -0.457
local terms energy: -165.989212
where:
bonds (distance) C4'-P energy: -33.751
bonds (distance) P-C4' energy: -26.353
flat angles C4'-P-C4' energy: -36.358
flat angles P-C4'-P energy: -18.155
tors. eta vs tors. theta energy: -51.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -534.225549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.225549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.225549 (E_RNA)
where:
Base-Base interactions energy: -374.211
where: short stacking energy: -170.620
Base-Backbone interact. energy: 0.841
local terms energy: -160.855791
where:
bonds (distance) C4'-P energy: -31.359
bonds (distance) P-C4' energy: -25.786
flat angles C4'-P-C4' energy: -32.386
flat angles P-C4'-P energy: -22.155
tors. eta vs tors. theta energy: -49.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -535.181037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.181037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.181037 (E_RNA)
where:
Base-Base interactions energy: -382.908
where: short stacking energy: -153.612
Base-Backbone interact. energy: -1.025
local terms energy: -151.248522
where:
bonds (distance) C4'-P energy: -32.275
bonds (distance) P-C4' energy: -25.755
flat angles C4'-P-C4' energy: -27.767
flat angles P-C4'-P energy: -23.922
tors. eta vs tors. theta energy: -41.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -534.028519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.028519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.028519 (E_RNA)
where:
Base-Base interactions energy: -364.810
where: short stacking energy: -158.718
Base-Backbone interact. energy: -0.087
local terms energy: -169.130840
where:
bonds (distance) C4'-P energy: -34.527
bonds (distance) P-C4' energy: -31.864
flat angles C4'-P-C4' energy: -29.943
flat angles P-C4'-P energy: -28.041
tors. eta vs tors. theta energy: -44.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -464.861898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.861898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.861898 (E_RNA)
where:
Base-Base interactions energy: -342.154
where: short stacking energy: -136.701
Base-Backbone interact. energy: -0.222
local terms energy: -122.485966
where:
bonds (distance) C4'-P energy: -25.887
bonds (distance) P-C4' energy: -23.426
flat angles C4'-P-C4' energy: -30.241
flat angles P-C4'-P energy: -16.772
tors. eta vs tors. theta energy: -26.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -357.412244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.412244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.412244 (E_RNA)
where:
Base-Base interactions energy: -233.176
where: short stacking energy: -99.182
Base-Backbone interact. energy: 2.066
local terms energy: -126.302439
where:
bonds (distance) C4'-P energy: -30.602
bonds (distance) P-C4' energy: -27.834
flat angles C4'-P-C4' energy: -29.858
flat angles P-C4'-P energy: -18.515
tors. eta vs tors. theta energy: -19.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -357.875721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.875721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.875721 (E_RNA)
where:
Base-Base interactions energy: -232.311
where: short stacking energy: -105.217
Base-Backbone interact. energy: -0.006
local terms energy: -125.558513
where:
bonds (distance) C4'-P energy: -27.130
bonds (distance) P-C4' energy: -32.252
flat angles C4'-P-C4' energy: -25.089
flat angles P-C4'-P energy: -18.333
tors. eta vs tors. theta energy: -22.755
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: 3
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -314.001122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.001122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.001122 (E_RNA)
where:
Base-Base interactions energy: -197.229
where: short stacking energy: -92.602
Base-Backbone interact. energy: 0.349
local terms energy: -117.120808
where:
bonds (distance) C4'-P energy: -29.329
bonds (distance) P-C4' energy: -22.081
flat angles C4'-P-C4' energy: -31.217
flat angles P-C4'-P energy: -15.897
tors. eta vs tors. theta energy: -18.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -591.950030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.950030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.950030 (E_RNA)
where:
Base-Base interactions energy: -410.965
where: short stacking energy: -176.194
Base-Backbone interact. energy: -0.006
local terms energy: -180.979068
where:
bonds (distance) C4'-P energy: -31.455
bonds (distance) P-C4' energy: -31.587
flat angles C4'-P-C4' energy: -35.172
flat angles P-C4'-P energy: -30.808
tors. eta vs tors. theta energy: -51.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -580.115668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.115668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.115668 (E_RNA)
where:
Base-Base interactions energy: -414.718
where: short stacking energy: -169.987
Base-Backbone interact. energy: -0.322
local terms energy: -165.075747
where:
bonds (distance) C4'-P energy: -28.923
bonds (distance) P-C4' energy: -30.078
flat angles C4'-P-C4' energy: -35.446
flat angles P-C4'-P energy: -21.147
tors. eta vs tors. theta energy: -49.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -561.342577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.342577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.342577 (E_RNA)
where:
Base-Base interactions energy: -391.413
where: short stacking energy: -156.570
Base-Backbone interact. energy: -0.093
local terms energy: -169.836050
where:
bonds (distance) C4'-P energy: -33.665
bonds (distance) P-C4' energy: -31.342
flat angles C4'-P-C4' energy: -35.824
flat angles P-C4'-P energy: -23.228
tors. eta vs tors. theta energy: -45.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -542.366704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.366704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.366704 (E_RNA)
where:
Base-Base interactions energy: -377.737
where: short stacking energy: -185.028
Base-Backbone interact. energy: -0.023
local terms energy: -164.606739
where:
bonds (distance) C4'-P energy: -28.451
bonds (distance) P-C4' energy: -28.820
flat angles C4'-P-C4' energy: -33.637
flat angles P-C4'-P energy: -22.912
tors. eta vs tors. theta energy: -50.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -524.341011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.341011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.341011 (E_RNA)
where:
Base-Base interactions energy: -374.216
where: short stacking energy: -137.343
Base-Backbone interact. energy: -0.844
local terms energy: -149.280384
where:
bonds (distance) C4'-P energy: -32.159
bonds (distance) P-C4' energy: -28.132
flat angles C4'-P-C4' energy: -33.680
flat angles P-C4'-P energy: -20.125
tors. eta vs tors. theta energy: -35.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -531.161547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.161547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.161547 (E_RNA)
where:
Base-Base interactions energy: -375.045
where: short stacking energy: -159.591
Base-Backbone interact. energy: 0.283
local terms energy: -156.400174
where:
bonds (distance) C4'-P energy: -29.572
bonds (distance) P-C4' energy: -26.039
flat angles C4'-P-C4' energy: -31.841
flat angles P-C4'-P energy: -26.891
tors. eta vs tors. theta energy: -42.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -439.434651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.434651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.434651 (E_RNA)
where:
Base-Base interactions energy: -300.024
where: short stacking energy: -135.129
Base-Backbone interact. energy: 2.266
local terms energy: -141.676480
where:
bonds (distance) C4'-P energy: -25.501
bonds (distance) P-C4' energy: -33.238
flat angles C4'-P-C4' energy: -27.493
flat angles P-C4'-P energy: -22.904
tors. eta vs tors. theta energy: -32.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -378.391607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.391607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.391607 (E_RNA)
where:
Base-Base interactions energy: -229.492
where: short stacking energy: -115.640
Base-Backbone interact. energy: -0.535
local terms energy: -148.363987
where:
bonds (distance) C4'-P energy: -35.174
bonds (distance) P-C4' energy: -27.657
flat angles C4'-P-C4' energy: -36.246
flat angles P-C4'-P energy: -21.522
tors. eta vs tors. theta energy: -27.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -336.328489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.328489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.328489 (E_RNA)
where:
Base-Base interactions energy: -209.972
where: short stacking energy: -109.215
Base-Backbone interact. energy: -0.394
local terms energy: -125.962215
where:
bonds (distance) C4'-P energy: -28.490
bonds (distance) P-C4' energy: -25.182
flat angles C4'-P-C4' energy: -31.782
flat angles P-C4'-P energy: -21.620
tors. eta vs tors. theta energy: -18.888
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: 3
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -282.680780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.680780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.680780 (E_RNA)
where:
Base-Base interactions energy: -178.486
where: short stacking energy: -79.444
Base-Backbone interact. energy: -0.582
local terms energy: -103.612137
where:
bonds (distance) C4'-P energy: -28.144
bonds (distance) P-C4' energy: -26.603
flat angles C4'-P-C4' energy: -31.507
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -8.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -588.272700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.272700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.272700 (E_RNA)
where:
Base-Base interactions energy: -412.503
where: short stacking energy: -166.190
Base-Backbone interact. energy: -2.386
local terms energy: -173.383059
where:
bonds (distance) C4'-P energy: -31.708
bonds (distance) P-C4' energy: -37.120
flat angles C4'-P-C4' energy: -37.080
flat angles P-C4'-P energy: -17.116
tors. eta vs tors. theta energy: -50.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -560.622275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.622275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.622275 (E_RNA)
where:
Base-Base interactions energy: -387.017
where: short stacking energy: -170.074
Base-Backbone interact. energy: 0.061
local terms energy: -173.666793
where:
bonds (distance) C4'-P energy: -30.111
bonds (distance) P-C4' energy: -30.279
flat angles C4'-P-C4' energy: -35.514
flat angles P-C4'-P energy: -27.174
tors. eta vs tors. theta energy: -50.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -548.006997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.006997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.006997 (E_RNA)
where:
Base-Base interactions energy: -377.252
where: short stacking energy: -174.433
Base-Backbone interact. energy: -1.503
local terms energy: -169.251612
where:
bonds (distance) C4'-P energy: -22.597
bonds (distance) P-C4' energy: -33.950
flat angles C4'-P-C4' energy: -38.751
flat angles P-C4'-P energy: -23.913
tors. eta vs tors. theta energy: -50.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -558.628475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.628475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.628475 (E_RNA)
where:
Base-Base interactions energy: -392.780
where: short stacking energy: -168.645
Base-Backbone interact. energy: -0.168
local terms energy: -165.680711
where:
bonds (distance) C4'-P energy: -28.731
bonds (distance) P-C4' energy: -28.621
flat angles C4'-P-C4' energy: -38.937
flat angles P-C4'-P energy: -24.468
tors. eta vs tors. theta energy: -44.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -544.557143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.557143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.557143 (E_RNA)
where:
Base-Base interactions energy: -387.346
where: short stacking energy: -152.039
Base-Backbone interact. energy: -0.231
local terms energy: -156.979600
where:
bonds (distance) C4'-P energy: -30.744
bonds (distance) P-C4' energy: -26.450
flat angles C4'-P-C4' energy: -34.091
flat angles P-C4'-P energy: -19.473
tors. eta vs tors. theta energy: -46.221
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: 7
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -504.333963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.333963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.333963 (E_RNA)
where:
Base-Base interactions energy: -375.601
where: short stacking energy: -136.382
Base-Backbone interact. energy: -2.632
local terms energy: -126.101199
where:
bonds (distance) C4'-P energy: -21.581
bonds (distance) P-C4' energy: -37.096
flat angles C4'-P-C4' energy: -24.423
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -32.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -436.804325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.804325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.804325 (E_RNA)
where:
Base-Base interactions energy: -298.805
where: short stacking energy: -132.398
Base-Backbone interact. energy: 0.278
local terms energy: -138.277090
where:
bonds (distance) C4'-P energy: -27.833
bonds (distance) P-C4' energy: -30.745
flat angles C4'-P-C4' energy: -27.740
flat angles P-C4'-P energy: -25.768
tors. eta vs tors. theta energy: -26.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -369.996305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.996305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.996305 (E_RNA)
where:
Base-Base interactions energy: -243.544
where: short stacking energy: -119.245
Base-Backbone interact. energy: -0.794
local terms energy: -125.657696
where:
bonds (distance) C4'-P energy: -20.673
bonds (distance) P-C4' energy: -30.091
flat angles C4'-P-C4' energy: -27.262
flat angles P-C4'-P energy: -17.929
tors. eta vs tors. theta energy: -29.702
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: 1
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -334.042091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.042091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.042091 (E_RNA)
where:
Base-Base interactions energy: -200.694
where: short stacking energy: -98.353
Base-Backbone interact. energy: -0.594
local terms energy: -132.754624
where:
bonds (distance) C4'-P energy: -30.628
bonds (distance) P-C4' energy: -28.530
flat angles C4'-P-C4' energy: -31.496
flat angles P-C4'-P energy: -17.430
tors. eta vs tors. theta energy: -24.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -260.544425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.544425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.544425 (E_RNA)
where:
Base-Base interactions energy: -156.001
where: short stacking energy: -77.303
Base-Backbone interact. energy: 1.569
local terms energy: -106.112133
where:
bonds (distance) C4'-P energy: -28.952
bonds (distance) P-C4' energy: -21.429
flat angles C4'-P-C4' energy: -37.522
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -8.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -587.958526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.958526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.958526 (E_RNA)
where:
Base-Base interactions energy: -413.294
where: short stacking energy: -178.605
Base-Backbone interact. energy: -0.390
local terms energy: -174.274758
where:
bonds (distance) C4'-P energy: -30.246
bonds (distance) P-C4' energy: -33.969
flat angles C4'-P-C4' energy: -39.182
flat angles P-C4'-P energy: -19.774
tors. eta vs tors. theta energy: -51.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -566.790208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.790208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.790208 (E_RNA)
where:
Base-Base interactions energy: -401.797
where: short stacking energy: -166.395
Base-Backbone interact. energy: -1.183
local terms energy: -163.810791
where:
bonds (distance) C4'-P energy: -37.422
bonds (distance) P-C4' energy: -30.016
flat angles C4'-P-C4' energy: -28.180
flat angles P-C4'-P energy: -22.850
tors. eta vs tors. theta energy: -45.342
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: 6
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -544.057574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.057574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.057574 (E_RNA)
where:
Base-Base interactions energy: -375.220
where: short stacking energy: -167.214
Base-Backbone interact. energy: -0.030
local terms energy: -168.807410
where:
bonds (distance) C4'-P energy: -28.587
bonds (distance) P-C4' energy: -30.438
flat angles C4'-P-C4' energy: -37.083
flat angles P-C4'-P energy: -23.270
tors. eta vs tors. theta energy: -49.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -553.934850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.934850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.934850 (E_RNA)
where:
Base-Base interactions energy: -388.743
where: short stacking energy: -168.950
Base-Backbone interact. energy: -1.116
local terms energy: -164.075812
where:
bonds (distance) C4'-P energy: -31.441
bonds (distance) P-C4' energy: -32.885
flat angles C4'-P-C4' energy: -30.217
flat angles P-C4'-P energy: -20.741
tors. eta vs tors. theta energy: -48.792
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: 8
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -530.413364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.413364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.413364 (E_RNA)
where:
Base-Base interactions energy: -373.706
where: short stacking energy: -163.389
Base-Backbone interact. energy: 1.544
local terms energy: -158.252039
where:
bonds (distance) C4'-P energy: -25.334
bonds (distance) P-C4' energy: -32.039
flat angles C4'-P-C4' energy: -32.386
flat angles P-C4'-P energy: -21.421
tors. eta vs tors. theta energy: -47.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -502.902648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.902648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.902648 (E_RNA)
where:
Base-Base interactions energy: -355.716
where: short stacking energy: -142.117
Base-Backbone interact. energy: -2.594
local terms energy: -144.592154
where:
bonds (distance) C4'-P energy: -22.544
bonds (distance) P-C4' energy: -32.944
flat angles C4'-P-C4' energy: -27.260
flat angles P-C4'-P energy: -23.461
tors. eta vs tors. theta energy: -38.383
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: 7, replica: 4
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -418.622013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.622013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.622013 (E_RNA)
where:
Base-Base interactions energy: -285.244
where: short stacking energy: -130.532
Base-Backbone interact. energy: -0.956
local terms energy: -132.422217
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -24.341
flat angles C4'-P-C4' energy: -35.302
flat angles P-C4'-P energy: -23.319
tors. eta vs tors. theta energy: -31.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -378.397854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.397854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.397854 (E_RNA)
where:
Base-Base interactions energy: -236.251
where: short stacking energy: -111.062
Base-Backbone interact. energy: -0.018
local terms energy: -142.129316
where:
bonds (distance) C4'-P energy: -29.704
bonds (distance) P-C4' energy: -35.905
flat angles C4'-P-C4' energy: -27.722
flat angles P-C4'-P energy: -16.759
tors. eta vs tors. theta energy: -32.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -309.230928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.230928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.230928 (E_RNA)
where:
Base-Base interactions energy: -199.529
where: short stacking energy: -94.709
Base-Backbone interact. energy: -0.739
local terms energy: -108.962813
where:
bonds (distance) C4'-P energy: -28.451
bonds (distance) P-C4' energy: -25.482
flat angles C4'-P-C4' energy: -29.072
flat angles P-C4'-P energy: -14.287
tors. eta vs tors. theta energy: -11.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -337.401869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.401869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.401869 (E_RNA)
where:
Base-Base interactions energy: -218.450
where: short stacking energy: -115.973
Base-Backbone interact. energy: -0.702
local terms energy: -118.249567
where:
bonds (distance) C4'-P energy: -20.953
bonds (distance) P-C4' energy: -28.017
flat angles C4'-P-C4' energy: -29.407
flat angles P-C4'-P energy: -16.279
tors. eta vs tors. theta energy: -23.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -573.144236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.144236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.144236 (E_RNA)
where:
Base-Base interactions energy: -395.847
where: short stacking energy: -171.008
Base-Backbone interact. energy: -1.027
local terms energy: -176.270735
where:
bonds (distance) C4'-P energy: -31.598
bonds (distance) P-C4' energy: -32.351
flat angles C4'-P-C4' energy: -39.544
flat angles P-C4'-P energy: -28.687
tors. eta vs tors. theta energy: -44.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -586.500005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.500005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.500005 (E_RNA)
where:
Base-Base interactions energy: -416.135
where: short stacking energy: -163.664
Base-Backbone interact. energy: 0.160
local terms energy: -170.524871
where:
bonds (distance) C4'-P energy: -25.457
bonds (distance) P-C4' energy: -27.420
flat angles C4'-P-C4' energy: -40.428
flat angles P-C4'-P energy: -28.843
tors. eta vs tors. theta energy: -48.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -562.175123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.175123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.175123 (E_RNA)
where:
Base-Base interactions energy: -404.433
where: short stacking energy: -168.519
Base-Backbone interact. energy: -0.399
local terms energy: -157.343573
where:
bonds (distance) C4'-P energy: -25.673
bonds (distance) P-C4' energy: -33.454
flat angles C4'-P-C4' energy: -32.688
flat angles P-C4'-P energy: -22.874
tors. eta vs tors. theta energy: -42.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -537.980029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.980029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.980029 (E_RNA)
where:
Base-Base interactions energy: -366.917
where: short stacking energy: -176.170
Base-Backbone interact. energy: 0.330
local terms energy: -171.393354
where:
bonds (distance) C4'-P energy: -27.024
bonds (distance) P-C4' energy: -35.990
flat angles C4'-P-C4' energy: -33.919
flat angles P-C4'-P energy: -25.862
tors. eta vs tors. theta energy: -48.598
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: 5, replica: 8
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -536.387495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.387495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.387495 (E_RNA)
where:
Base-Base interactions energy: -375.223
where: short stacking energy: -163.354
Base-Backbone interact. energy: -0.198
local terms energy: -160.966117
where:
bonds (distance) C4'-P energy: -30.210
bonds (distance) P-C4' energy: -24.012
flat angles C4'-P-C4' energy: -36.436
flat angles P-C4'-P energy: -20.743
tors. eta vs tors. theta energy: -49.565
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: 7
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -475.122374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.122374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.122374 (E_RNA)
where:
Base-Base interactions energy: -348.312
where: short stacking energy: -135.828
Base-Backbone interact. energy: -2.169
local terms energy: -124.641415
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -28.733
flat angles C4'-P-C4' energy: -25.900
flat angles P-C4'-P energy: -23.772
tors. eta vs tors. theta energy: -30.184
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: 7, replica: 10
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -392.047596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.047596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.047596 (E_RNA)
where:
Base-Base interactions energy: -254.657
where: short stacking energy: -123.269
Base-Backbone interact. energy: 0.104
local terms energy: -137.494657
where:
bonds (distance) C4'-P energy: -28.688
bonds (distance) P-C4' energy: -36.533
flat angles C4'-P-C4' energy: -27.764
flat angles P-C4'-P energy: -21.121
tors. eta vs tors. theta energy: -23.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -373.578034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.578034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.578034 (E_RNA)
where:
Base-Base interactions energy: -246.772
where: short stacking energy: -95.210
Base-Backbone interact. energy: -1.023
local terms energy: -125.783724
where:
bonds (distance) C4'-P energy: -25.728
bonds (distance) P-C4' energy: -31.774
flat angles C4'-P-C4' energy: -30.164
flat angles P-C4'-P energy: -16.533
tors. eta vs tors. theta energy: -21.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -358.891617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.891617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.891617 (E_RNA)
where:
Base-Base interactions energy: -227.584
where: short stacking energy: -121.003
Base-Backbone interact. energy: -0.179
local terms energy: -131.128638
where:
bonds (distance) C4'-P energy: -31.561
bonds (distance) P-C4' energy: -32.752
flat angles C4'-P-C4' energy: -30.055
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -26.118
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: 1
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -326.030863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.030863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.030863 (E_RNA)
where:
Base-Base interactions energy: -206.376
where: short stacking energy: -114.398
Base-Backbone interact. energy: -0.270
local terms energy: -119.384642
where:
bonds (distance) C4'-P energy: -26.436
bonds (distance) P-C4' energy: -30.332
flat angles C4'-P-C4' energy: -23.636
flat angles P-C4'-P energy: -17.190
tors. eta vs tors. theta energy: -21.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -585.580437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.580437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.580437 (E_RNA)
where:
Base-Base interactions energy: -414.676
where: short stacking energy: -181.759
Base-Backbone interact. energy: -0.007
local terms energy: -170.897675
where:
bonds (distance) C4'-P energy: -32.473
bonds (distance) P-C4' energy: -29.744
flat angles C4'-P-C4' energy: -34.760
flat angles P-C4'-P energy: -25.566
tors. eta vs tors. theta energy: -48.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -576.900610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.900610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.900610 (E_RNA)
where:
Base-Base interactions energy: -403.042
where: short stacking energy: -177.728
Base-Backbone interact. energy: -0.914
local terms energy: -172.944392
where:
bonds (distance) C4'-P energy: -27.619
bonds (distance) P-C4' energy: -30.690
flat angles C4'-P-C4' energy: -35.061
flat angles P-C4'-P energy: -28.985
tors. eta vs tors. theta energy: -50.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -569.352050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.352050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.352050 (E_RNA)
where:
Base-Base interactions energy: -392.221
where: short stacking energy: -171.526
Base-Backbone interact. energy: -0.287
local terms energy: -176.843570
where:
bonds (distance) C4'-P energy: -35.269
bonds (distance) P-C4' energy: -27.844
flat angles C4'-P-C4' energy: -39.745
flat angles P-C4'-P energy: -24.664
tors. eta vs tors. theta energy: -49.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -541.228786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.228786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.228786 (E_RNA)
where:
Base-Base interactions energy: -365.704
where: short stacking energy: -168.719
Base-Backbone interact. energy: -0.171
local terms energy: -175.354250
where:
bonds (distance) C4'-P energy: -28.856
bonds (distance) P-C4' energy: -32.227
flat angles C4'-P-C4' energy: -33.987
flat angles P-C4'-P energy: -29.309
tors. eta vs tors. theta energy: -50.975
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: 8
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -530.652355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.652355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.652355 (E_RNA)
where:
Base-Base interactions energy: -372.211
where: short stacking energy: -157.647
Base-Backbone interact. energy: -0.359
local terms energy: -158.081819
where:
bonds (distance) C4'-P energy: -28.053
bonds (distance) P-C4' energy: -29.794
flat angles C4'-P-C4' energy: -27.811
flat angles P-C4'-P energy: -26.695
tors. eta vs tors. theta energy: -45.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -496.531498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.531498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.531498 (E_RNA)
where:
Base-Base interactions energy: -364.352
where: short stacking energy: -134.273
Base-Backbone interact. energy: 0.559
local terms energy: -132.739476
where:
bonds (distance) C4'-P energy: -22.313
bonds (distance) P-C4' energy: -26.346
flat angles C4'-P-C4' energy: -34.631
flat angles P-C4'-P energy: -18.051
tors. eta vs tors. theta energy: -31.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -388.240983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.240983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.240983 (E_RNA)
where:
Base-Base interactions energy: -250.525
where: short stacking energy: -120.716
Base-Backbone interact. energy: -0.287
local terms energy: -137.429205
where:
bonds (distance) C4'-P energy: -25.041
bonds (distance) P-C4' energy: -28.850
flat angles C4'-P-C4' energy: -31.508
flat angles P-C4'-P energy: -23.356
tors. eta vs tors. theta energy: -28.674
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: 3
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -339.727222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.727222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.727222 (E_RNA)
where:
Base-Base interactions energy: -219.667
where: short stacking energy: -110.292
Base-Backbone interact. energy: -0.145
local terms energy: -119.914353
where:
bonds (distance) C4'-P energy: -29.538
bonds (distance) P-C4' energy: -30.387
flat angles C4'-P-C4' energy: -28.789
flat angles P-C4'-P energy: -14.371
tors. eta vs tors. theta energy: -16.829
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: 4
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -366.344960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.344960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.344960 (E_RNA)
where:
Base-Base interactions energy: -247.045
where: short stacking energy: -108.229
Base-Backbone interact. energy: 1.991
local terms energy: -121.290728
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -27.215
flat angles C4'-P-C4' energy: -28.071
flat angles P-C4'-P energy: -26.286
tors. eta vs tors. theta energy: -21.201
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: 1
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -307.281785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.281785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.281785 (E_RNA)
where:
Base-Base interactions energy: -186.953
where: short stacking energy: -100.720
Base-Backbone interact. energy: -0.720
local terms energy: -119.608975
where:
bonds (distance) C4'-P energy: -25.317
bonds (distance) P-C4' energy: -32.315
flat angles C4'-P-C4' energy: -29.793
flat angles P-C4'-P energy: -15.048
tors. eta vs tors. theta energy: -17.135
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: 9
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -594.971541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.971541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.971541 (E_RNA)
where:
Base-Base interactions energy: -427.067
where: short stacking energy: -170.684
Base-Backbone interact. energy: -0.198
local terms energy: -167.706128
where:
bonds (distance) C4'-P energy: -28.194
bonds (distance) P-C4' energy: -30.060
flat angles C4'-P-C4' energy: -34.371
flat angles P-C4'-P energy: -21.865
tors. eta vs tors. theta energy: -53.215
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: 5
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -580.091033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.091033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.091033 (E_RNA)
where:
Base-Base interactions energy: -417.419
where: short stacking energy: -178.194
Base-Backbone interact. energy: 0.972
local terms energy: -163.643605
where:
bonds (distance) C4'-P energy: -34.300
bonds (distance) P-C4' energy: -30.785
flat angles C4'-P-C4' energy: -33.261
flat angles P-C4'-P energy: -20.814
tors. eta vs tors. theta energy: -44.485
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: 6
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -546.528631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.528631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.528631 (E_RNA)
where:
Base-Base interactions energy: -376.686
where: short stacking energy: -176.309
Base-Backbone interact. energy: -0.133
local terms energy: -169.709164
where:
bonds (distance) C4'-P energy: -33.339
bonds (distance) P-C4' energy: -31.528
flat angles C4'-P-C4' energy: -31.374
flat angles P-C4'-P energy: -23.862
tors. eta vs tors. theta energy: -49.606
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: 328
Temperature: 1.050000
Total energy: -549.572788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.572788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.572788 (E_RNA)
where:
Base-Base interactions energy: -385.488
where: short stacking energy: -168.416
Base-Backbone interact. energy: 0.314
local terms energy: -164.398347
where:
bonds (distance) C4'-P energy: -23.548
bonds (distance) P-C4' energy: -29.887
flat angles C4'-P-C4' energy: -36.955
flat angles P-C4'-P energy: -25.750
tors. eta vs tors. theta energy: -48.258
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: 8
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -534.966742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.966742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.966742 (E_RNA)
where:
Base-Base interactions energy: -374.896
where: short stacking energy: -165.298
Base-Backbone interact. energy: -0.927
local terms energy: -159.144594
where:
bonds (distance) C4'-P energy: -25.221
bonds (distance) P-C4' energy: -30.782
flat angles C4'-P-C4' energy: -33.506
flat angles P-C4'-P energy: -21.981
tors. eta vs tors. theta energy: -47.654
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: 6, replica: 7
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -477.130028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.130028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.130028 (E_RNA)
where:
Base-Base interactions energy: -341.811
where: short stacking energy: -135.665
Base-Backbone interact. energy: -0.961
local terms energy: -134.358064
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -26.107
flat angles C4'-P-C4' energy: -33.233
flat angles P-C4'-P energy: -24.317
tors. eta vs tors. theta energy: -32.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -383.070036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.070036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.070036 (E_RNA)
where:
Base-Base interactions energy: -241.607
where: short stacking energy: -117.582
Base-Backbone interact. energy: -0.917
local terms energy: -140.545975
where:
bonds (distance) C4'-P energy: -26.334
bonds (distance) P-C4' energy: -34.064
flat angles C4'-P-C4' energy: -37.080
flat angles P-C4'-P energy: -15.687
tors. eta vs tors. theta energy: -27.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -318.175950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.175950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.175950 (E_RNA)
where:
Base-Base interactions energy: -200.228
where: short stacking energy: -106.292
Base-Backbone interact. energy: 0.258
local terms energy: -118.205903
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -30.682
flat angles C4'-P-C4' energy: -24.064
flat angles P-C4'-P energy: -16.880
tors. eta vs tors. theta energy: -24.234
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: 4
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -368.914127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.914127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.914127 (E_RNA)
where:
Base-Base interactions energy: -245.365
where: short stacking energy: -113.496
Base-Backbone interact. energy: -0.461
local terms energy: -123.087477
where:
bonds (distance) C4'-P energy: -24.997
bonds (distance) P-C4' energy: -29.378
flat angles C4'-P-C4' energy: -25.160
flat angles P-C4'-P energy: -17.704
tors. eta vs tors. theta energy: -25.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -307.608810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.608810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.608810 (E_RNA)
where:
Base-Base interactions energy: -191.020
where: short stacking energy: -103.819
Base-Backbone interact. energy: -1.080
local terms energy: -115.508592
where:
bonds (distance) C4'-P energy: -23.394
bonds (distance) P-C4' energy: -32.028
flat angles C4'-P-C4' energy: -28.191
flat angles P-C4'-P energy: -15.459
tors. eta vs tors. theta energy: -16.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -584.804027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.804027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.804027 (E_RNA)
where:
Base-Base interactions energy: -410.244
where: short stacking energy: -167.826
Base-Backbone interact. energy: -0.735
local terms energy: -173.824513
where:
bonds (distance) C4'-P energy: -30.529
bonds (distance) P-C4' energy: -34.263
flat angles C4'-P-C4' energy: -33.620
flat angles P-C4'-P energy: -23.539
tors. eta vs tors. theta energy: -51.874
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: 6
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -570.375642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.375642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.375642 (E_RNA)
where:
Base-Base interactions energy: -382.655
where: short stacking energy: -174.875
Base-Backbone interact. energy: -0.963
local terms energy: -186.758343
where:
bonds (distance) C4'-P energy: -32.526
bonds (distance) P-C4' energy: -34.838
flat angles C4'-P-C4' energy: -39.180
flat angles P-C4'-P energy: -29.226
tors. eta vs tors. theta energy: -50.988
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: 5
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -569.408337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.408337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.408337 (E_RNA)
where:
Base-Base interactions energy: -391.694
where: short stacking energy: -182.651
Base-Backbone interact. energy: -1.301
local terms energy: -176.412696
where:
bonds (distance) C4'-P energy: -29.649
bonds (distance) P-C4' energy: -33.117
flat angles C4'-P-C4' energy: -36.883
flat angles P-C4'-P energy: -26.533
tors. eta vs tors. theta energy: -50.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -540.191017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.191017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.191017 (E_RNA)
where:
Base-Base interactions energy: -382.151
where: short stacking energy: -166.337
Base-Backbone interact. energy: -0.144
local terms energy: -157.895651
where:
bonds (distance) C4'-P energy: -28.115
bonds (distance) P-C4' energy: -28.162
flat angles C4'-P-C4' energy: -33.012
flat angles P-C4'-P energy: -21.952
tors. eta vs tors. theta energy: -46.655
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: 5, replica: 8
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -539.132203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.132203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.132203 (E_RNA)
where:
Base-Base interactions energy: -371.604
where: short stacking energy: -162.834
Base-Backbone interact. energy: -0.340
local terms energy: -167.187856
where:
bonds (distance) C4'-P energy: -27.580
bonds (distance) P-C4' energy: -34.994
flat angles C4'-P-C4' energy: -37.947
flat angles P-C4'-P energy: -21.580
tors. eta vs tors. theta energy: -45.086
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: 7
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -497.156601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.156601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.156601 (E_RNA)
where:
Base-Base interactions energy: -350.970
where: short stacking energy: -141.574
Base-Backbone interact. energy: -1.142
local terms energy: -145.044520
where:
bonds (distance) C4'-P energy: -31.886
bonds (distance) P-C4' energy: -31.244
flat angles C4'-P-C4' energy: -28.442
flat angles P-C4'-P energy: -21.801
tors. eta vs tors. theta energy: -31.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -383.163509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.163509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.163509 (E_RNA)
where:
Base-Base interactions energy: -234.436
where: short stacking energy: -118.668
Base-Backbone interact. energy: 0.057
local terms energy: -148.784333
where:
bonds (distance) C4'-P energy: -32.254
bonds (distance) P-C4' energy: -31.169
flat angles C4'-P-C4' energy: -26.485
flat angles P-C4'-P energy: -27.071
tors. eta vs tors. theta energy: -31.805
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: 4
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -403.950267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.950267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.950267 (E_RNA)
where:
Base-Base interactions energy: -282.981
where: short stacking energy: -134.342
Base-Backbone interact. energy: -0.100
local terms energy: -120.869104
where:
bonds (distance) C4'-P energy: -26.493
bonds (distance) P-C4' energy: -18.764
flat angles C4'-P-C4' energy: -28.789
flat angles P-C4'-P energy: -17.957
tors. eta vs tors. theta energy: -28.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -329.075734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.075734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.075734 (E_RNA)
where:
Base-Base interactions energy: -210.292
where: short stacking energy: -93.846
Base-Backbone interact. energy: 2.742
local terms energy: -121.525222
where:
bonds (distance) C4'-P energy: -26.773
bonds (distance) P-C4' energy: -24.680
flat angles C4'-P-C4' energy: -23.742
flat angles P-C4'-P energy: -21.767
tors. eta vs tors. theta energy: -24.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -298.332314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.332314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.332314 (E_RNA)
where:
Base-Base interactions energy: -183.386
where: short stacking energy: -84.697
Base-Backbone interact. energy: -0.550
local terms energy: -114.396331
where:
bonds (distance) C4'-P energy: -24.000
bonds (distance) P-C4' energy: -24.311
flat angles C4'-P-C4' energy: -36.135
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -17.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -586.973966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.973966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.973966 (E_RNA)
where:
Base-Base interactions energy: -424.615
where: short stacking energy: -168.173
Base-Backbone interact. energy: -1.273
local terms energy: -161.085622
where:
bonds (distance) C4'-P energy: -26.549
bonds (distance) P-C4' energy: -34.201
flat angles C4'-P-C4' energy: -31.617
flat angles P-C4'-P energy: -19.114
tors. eta vs tors. theta energy: -49.604
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: 2, replica: 6
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -563.437205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.437205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.437205 (E_RNA)
where:
Base-Base interactions energy: -393.766
where: short stacking energy: -191.832
Base-Backbone interact. energy: -0.422
local terms energy: -169.249052
where:
bonds (distance) C4'-P energy: -29.807
bonds (distance) P-C4' energy: -29.593
flat angles C4'-P-C4' energy: -33.939
flat angles P-C4'-P energy: -24.185
tors. eta vs tors. theta energy: -51.725
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: 5
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -556.001535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.001535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.001535 (E_RNA)
where:
Base-Base interactions energy: -384.757
where: short stacking energy: -176.275
Base-Backbone interact. energy: -0.032
local terms energy: -171.212568
where:
bonds (distance) C4'-P energy: -33.261
bonds (distance) P-C4' energy: -34.320
flat angles C4'-P-C4' energy: -31.376
flat angles P-C4'-P energy: -22.043
tors. eta vs tors. theta energy: -50.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -542.277858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.277858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.277858 (E_RNA)
where:
Base-Base interactions energy: -372.492
where: short stacking energy: -156.987
Base-Backbone interact. energy: -0.177
local terms energy: -169.608288
where:
bonds (distance) C4'-P energy: -26.691
bonds (distance) P-C4' energy: -36.564
flat angles C4'-P-C4' energy: -35.975
flat angles P-C4'-P energy: -25.057
tors. eta vs tors. theta energy: -45.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -528.728730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.728730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.728730 (E_RNA)
where:
Base-Base interactions energy: -359.182
where: short stacking energy: -154.389
Base-Backbone interact. energy: -1.906
local terms energy: -167.640783
where:
bonds (distance) C4'-P energy: -27.156
bonds (distance) P-C4' energy: -27.446
flat angles C4'-P-C4' energy: -40.095
flat angles P-C4'-P energy: -26.764
tors. eta vs tors. theta energy: -46.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -496.566603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.566603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.566603 (E_RNA)
where:
Base-Base interactions energy: -349.780
where: short stacking energy: -130.500
Base-Backbone interact. energy: 0.580
local terms energy: -147.366947
where:
bonds (distance) C4'-P energy: -25.090
bonds (distance) P-C4' energy: -32.838
flat angles C4'-P-C4' energy: -31.927
flat angles P-C4'-P energy: -25.586
tors. eta vs tors. theta energy: -31.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -380.987203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.987203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.987203 (E_RNA)
where:
Base-Base interactions energy: -244.341
where: short stacking energy: -134.778
Base-Backbone interact. energy: -0.897
local terms energy: -135.748883
where:
bonds (distance) C4'-P energy: -23.602
bonds (distance) P-C4' energy: -33.826
flat angles C4'-P-C4' energy: -33.200
flat angles P-C4'-P energy: -15.100
tors. eta vs tors. theta energy: -30.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -393.837582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.837582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.837582 (E_RNA)
where:
Base-Base interactions energy: -244.644
where: short stacking energy: -112.779
Base-Backbone interact. energy: -0.738
local terms energy: -148.456159
where:
bonds (distance) C4'-P energy: -33.097
bonds (distance) P-C4' energy: -25.997
flat angles C4'-P-C4' energy: -33.365
flat angles P-C4'-P energy: -24.078
tors. eta vs tors. theta energy: -31.919
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: 1
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -326.794211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.794211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.794211 (E_RNA)
where:
Base-Base interactions energy: -206.387
where: short stacking energy: -99.479
Base-Backbone interact. energy: 1.031
local terms energy: -121.438233
where:
bonds (distance) C4'-P energy: -32.315
bonds (distance) P-C4' energy: -27.991
flat angles C4'-P-C4' energy: -20.869
flat angles P-C4'-P energy: -18.420
tors. eta vs tors. theta energy: -21.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -305.107953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.107953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.107953 (E_RNA)
where:
Base-Base interactions energy: -200.108
where: short stacking energy: -85.570
Base-Backbone interact. energy: -0.377
local terms energy: -104.622383
where:
bonds (distance) C4'-P energy: -23.560
bonds (distance) P-C4' energy: -19.552
flat angles C4'-P-C4' energy: -22.285
flat angles P-C4'-P energy: -22.510
tors. eta vs tors. theta energy: -16.714
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: 9
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -596.327819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.327819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.327819 (E_RNA)
where:
Base-Base interactions energy: -428.817
where: short stacking energy: -170.707
Base-Backbone interact. energy: -0.984
local terms energy: -166.526845
where:
bonds (distance) C4'-P energy: -30.430
bonds (distance) P-C4' energy: -27.832
flat angles C4'-P-C4' energy: -34.732
flat angles P-C4'-P energy: -24.300
tors. eta vs tors. theta energy: -49.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -559.598905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.598905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.598905 (E_RNA)
where:
Base-Base interactions energy: -382.606
where: short stacking energy: -171.930
Base-Backbone interact. energy: -0.187
local terms energy: -176.806273
where:
bonds (distance) C4'-P energy: -29.096
bonds (distance) P-C4' energy: -36.935
flat angles C4'-P-C4' energy: -40.550
flat angles P-C4'-P energy: -21.254
tors. eta vs tors. theta energy: -48.972
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: 331
Temperature: 1.000000
Total energy: -565.514611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.514611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.514611 (E_RNA)
where:
Base-Base interactions energy: -391.686
where: short stacking energy: -183.553
Base-Backbone interact. energy: -0.539
local terms energy: -173.289974
where:
bonds (distance) C4'-P energy: -31.686
bonds (distance) P-C4' energy: -31.935
flat angles C4'-P-C4' energy: -31.951
flat angles P-C4'-P energy: -25.445
tors. eta vs tors. theta energy: -52.273
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: 4, replica: 8
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -535.090687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.090687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.090687 (E_RNA)
where:
Base-Base interactions energy: -380.145
where: short stacking energy: -164.296
Base-Backbone interact. energy: 1.197
local terms energy: -156.142398
where:
bonds (distance) C4'-P energy: -24.645
bonds (distance) P-C4' energy: -37.593
flat angles C4'-P-C4' energy: -30.946
flat angles P-C4'-P energy: -19.877
tors. eta vs tors. theta energy: -43.082
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: 2
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -535.718051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.718051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.718051 (E_RNA)
where:
Base-Base interactions energy: -376.373
where: short stacking energy: -163.777
Base-Backbone interact. energy: -0.397
local terms energy: -158.947281
where:
bonds (distance) C4'-P energy: -29.514
bonds (distance) P-C4' energy: -31.952
flat angles C4'-P-C4' energy: -32.308
flat angles P-C4'-P energy: -15.251
tors. eta vs tors. theta energy: -49.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -506.204912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.204912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.204912 (E_RNA)
where:
Base-Base interactions energy: -371.674
where: short stacking energy: -147.740
Base-Backbone interact. energy: -1.520
local terms energy: -133.010185
where:
bonds (distance) C4'-P energy: -32.075
bonds (distance) P-C4' energy: -24.221
flat angles C4'-P-C4' energy: -25.003
flat angles P-C4'-P energy: -19.291
tors. eta vs tors. theta energy: -32.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -360.188160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.188160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.188160 (E_RNA)
where:
Base-Base interactions energy: -228.334
where: short stacking energy: -117.679
Base-Backbone interact. energy: -1.041
local terms energy: -130.813467
where:
bonds (distance) C4'-P energy: -26.587
bonds (distance) P-C4' energy: -27.532
flat angles C4'-P-C4' energy: -30.284
flat angles P-C4'-P energy: -15.358
tors. eta vs tors. theta energy: -31.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -390.236390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.236390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.236390 (E_RNA)
where:
Base-Base interactions energy: -253.712
where: short stacking energy: -121.813
Base-Backbone interact. energy: -0.231
local terms energy: -136.293361
where:
bonds (distance) C4'-P energy: -28.816
bonds (distance) P-C4' energy: -26.926
flat angles C4'-P-C4' energy: -30.323
flat angles P-C4'-P energy: -19.067
tors. eta vs tors. theta energy: -31.161
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: 1
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -280.983107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.983107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.983107 (E_RNA)
where:
Base-Base interactions energy: -174.205
where: short stacking energy: -80.573
Base-Backbone interact. energy: -0.738
local terms energy: -106.039748
where:
bonds (distance) C4'-P energy: -24.098
bonds (distance) P-C4' energy: -34.018
flat angles C4'-P-C4' energy: -25.996
flat angles P-C4'-P energy: -17.018
tors. eta vs tors. theta energy: -4.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -301.503321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.503321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.503321 (E_RNA)
where:
Base-Base interactions energy: -193.644
where: short stacking energy: -95.655
Base-Backbone interact. energy: 0.425
local terms energy: -108.284127
where:
bonds (distance) C4'-P energy: -27.924
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -29.455
flat angles P-C4'-P energy: -13.850
tors. eta vs tors. theta energy: -18.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -598.262498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.262498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.262498 (E_RNA)
where:
Base-Base interactions energy: -407.735
where: short stacking energy: -169.748
Base-Backbone interact. energy: -2.560
local terms energy: -187.968013
where:
bonds (distance) C4'-P energy: -31.153
bonds (distance) P-C4' energy: -35.294
flat angles C4'-P-C4' energy: -39.746
flat angles P-C4'-P energy: -29.263
tors. eta vs tors. theta energy: -52.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -555.315794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.315794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.315794 (E_RNA)
where:
Base-Base interactions energy: -391.596
where: short stacking energy: -180.910
Base-Backbone interact. energy: -1.052
local terms energy: -162.667634
where:
bonds (distance) C4'-P energy: -30.193
bonds (distance) P-C4' energy: -33.905
flat angles C4'-P-C4' energy: -29.902
flat angles P-C4'-P energy: -20.268
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: 3, replica: 5
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -554.825444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.825444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.825444 (E_RNA)
where:
Base-Base interactions energy: -378.848
where: short stacking energy: -174.868
Base-Backbone interact. energy: -0.315
local terms energy: -175.662665
where:
bonds (distance) C4'-P energy: -29.760
bonds (distance) P-C4' energy: -29.575
flat angles C4'-P-C4' energy: -35.709
flat angles P-C4'-P energy: -28.412
tors. eta vs tors. theta energy: -52.207
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: 8
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -545.468031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.468031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.468031 (E_RNA)
where:
Base-Base interactions energy: -382.693
where: short stacking energy: -166.573
Base-Backbone interact. energy: -0.810
local terms energy: -161.965014
where:
bonds (distance) C4'-P energy: -29.306
bonds (distance) P-C4' energy: -33.566
flat angles C4'-P-C4' energy: -29.819
flat angles P-C4'-P energy: -21.126
tors. eta vs tors. theta energy: -48.149
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: 332
Temperature: 1.100000
Total energy: -539.801814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.801814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.801814 (E_RNA)
where:
Base-Base interactions energy: -376.674
where: short stacking energy: -166.722
Base-Backbone interact. energy: -0.830
local terms energy: -162.297488
where:
bonds (distance) C4'-P energy: -20.116
bonds (distance) P-C4' energy: -30.690
flat angles C4'-P-C4' energy: -33.111
flat angles P-C4'-P energy: -29.230
tors. eta vs tors. theta energy: -49.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -503.495143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.495143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.495143 (E_RNA)
where:
Base-Base interactions energy: -349.042
where: short stacking energy: -138.411
Base-Backbone interact. energy: -0.675
local terms energy: -153.778084
where:
bonds (distance) C4'-P energy: -27.828
bonds (distance) P-C4' energy: -29.800
flat angles C4'-P-C4' energy: -32.545
flat angles P-C4'-P energy: -23.615
tors. eta vs tors. theta energy: -39.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -412.345913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.345913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.345913 (E_RNA)
where:
Base-Base interactions energy: -272.926
where: short stacking energy: -140.809
Base-Backbone interact. energy: -0.921
local terms energy: -138.499542
where:
bonds (distance) C4'-P energy: -25.987
bonds (distance) P-C4' energy: -26.289
flat angles C4'-P-C4' energy: -35.674
flat angles P-C4'-P energy: -20.438
tors. eta vs tors. theta energy: -30.112
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: 8, replica: 10
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -393.070228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.070228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.070228 (E_RNA)
where:
Base-Base interactions energy: -262.727
where: short stacking energy: -110.323
Base-Backbone interact. energy: -0.215
local terms energy: -130.128131
where:
bonds (distance) C4'-P energy: -27.726
bonds (distance) P-C4' energy: -27.585
flat angles C4'-P-C4' energy: -34.470
flat angles P-C4'-P energy: -15.552
tors. eta vs tors. theta energy: -24.795
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: 3
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -305.137267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.137267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.137267 (E_RNA)
where:
Base-Base interactions energy: -183.296
where: short stacking energy: -79.143
Base-Backbone interact. energy: -0.280
local terms energy: -121.560692
where:
bonds (distance) C4'-P energy: -26.154
bonds (distance) P-C4' energy: -30.797
flat angles C4'-P-C4' energy: -25.303
flat angles P-C4'-P energy: -21.710
tors. eta vs tors. theta energy: -17.598
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: 1
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -305.546789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.546789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.546789 (E_RNA)
where:
Base-Base interactions energy: -205.057
where: short stacking energy: -109.268
Base-Backbone interact. energy: -0.356
local terms energy: -100.134710
where:
bonds (distance) C4'-P energy: -25.581
bonds (distance) P-C4' energy: -23.690
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -23.231
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: 9
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -582.871589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.871589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.871589 (E_RNA)
where:
Base-Base interactions energy: -418.279
where: short stacking energy: -173.667
Base-Backbone interact. energy: -0.104
local terms energy: -164.488262
where:
bonds (distance) C4'-P energy: -27.931
bonds (distance) P-C4' energy: -32.544
flat angles C4'-P-C4' energy: -35.516
flat angles P-C4'-P energy: -19.883
tors. eta vs tors. theta energy: -48.614
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: 5
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -578.045018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.045018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.045018 (E_RNA)
where:
Base-Base interactions energy: -402.001
where: short stacking energy: -184.918
Base-Backbone interact. energy: -0.051
local terms energy: -175.993544
where:
bonds (distance) C4'-P energy: -33.753
bonds (distance) P-C4' energy: -32.090
flat angles C4'-P-C4' energy: -35.416
flat angles P-C4'-P energy: -26.057
tors. eta vs tors. theta energy: -48.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -553.965950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.965950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.965950 (E_RNA)
where:
Base-Base interactions energy: -376.746
where: short stacking energy: -173.752
Base-Backbone interact. energy: -0.239
local terms energy: -176.981315
where:
bonds (distance) C4'-P energy: -33.487
bonds (distance) P-C4' energy: -29.098
flat angles C4'-P-C4' energy: -36.518
flat angles P-C4'-P energy: -25.026
tors. eta vs tors. theta energy: -52.853
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: 8
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -545.719758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.719758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.719758 (E_RNA)
where:
Base-Base interactions energy: -376.617
where: short stacking energy: -165.173
Base-Backbone interact. energy: -0.520
local terms energy: -168.582934
where:
bonds (distance) C4'-P energy: -32.137
bonds (distance) P-C4' energy: -26.317
flat angles C4'-P-C4' energy: -39.400
flat angles P-C4'-P energy: -21.653
tors. eta vs tors. theta energy: -49.076
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: 5, replica: 2
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -545.621098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.621098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.621098 (E_RNA)
where:
Base-Base interactions energy: -387.317
where: short stacking energy: -169.419
Base-Backbone interact. energy: -0.385
local terms energy: -157.919063
where:
bonds (distance) C4'-P energy: -33.285
bonds (distance) P-C4' energy: -22.588
flat angles C4'-P-C4' energy: -36.407
flat angles P-C4'-P energy: -21.855
tors. eta vs tors. theta energy: -43.783
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: 7
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -525.312551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.312551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.312551 (E_RNA)
where:
Base-Base interactions energy: -368.265
where: short stacking energy: -148.313
Base-Backbone interact. energy: -0.057
local terms energy: -156.989999
where:
bonds (distance) C4'-P energy: -31.167
bonds (distance) P-C4' energy: -29.612
flat angles C4'-P-C4' energy: -31.292
flat angles P-C4'-P energy: -22.937
tors. eta vs tors. theta energy: -41.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -404.861166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.861166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.861166 (E_RNA)
where:
Base-Base interactions energy: -272.717
where: short stacking energy: -136.321
Base-Backbone interact. energy: -0.103
local terms energy: -132.041022
where:
bonds (distance) C4'-P energy: -26.278
bonds (distance) P-C4' energy: -23.538
flat angles C4'-P-C4' energy: -34.874
flat angles P-C4'-P energy: -16.833
tors. eta vs tors. theta energy: -30.519
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: 8, replica: 10
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -430.617626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.617626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.617626 (E_RNA)
where:
Base-Base interactions energy: -307.962
where: short stacking energy: -123.136
Base-Backbone interact. energy: -0.232
local terms energy: -122.422926
where:
bonds (distance) C4'-P energy: -33.126
bonds (distance) P-C4' energy: -23.811
flat angles C4'-P-C4' energy: -23.686
flat angles P-C4'-P energy: -18.055
tors. eta vs tors. theta energy: -23.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -325.736009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.736009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.736009 (E_RNA)
where:
Base-Base interactions energy: -218.001
where: short stacking energy: -88.756
Base-Backbone interact. energy: 3.499
local terms energy: -111.234592
where:
bonds (distance) C4'-P energy: -31.947
bonds (distance) P-C4' energy: -26.984
flat angles C4'-P-C4' energy: -28.633
flat angles P-C4'-P energy: -3.527
tors. eta vs tors. theta energy: -20.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -288.117975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.117975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.117975 (E_RNA)
where:
Base-Base interactions energy: -173.791
where: short stacking energy: -84.969
Base-Backbone interact. energy: -0.452
local terms energy: -113.874667
where:
bonds (distance) C4'-P energy: -17.504
bonds (distance) P-C4' energy: -31.817
flat angles C4'-P-C4' energy: -30.432
flat angles P-C4'-P energy: -13.881
tors. eta vs tors. theta energy: -20.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -586.358303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.358303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.358303 (E_RNA)
where:
Base-Base interactions energy: -414.279
where: short stacking energy: -168.119
Base-Backbone interact. energy: -0.862
local terms energy: -171.216863
where:
bonds (distance) C4'-P energy: -30.082
bonds (distance) P-C4' energy: -28.119
flat angles C4'-P-C4' energy: -32.965
flat angles P-C4'-P energy: -27.969
tors. eta vs tors. theta energy: -52.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -566.670004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.670004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.670004 (E_RNA)
where:
Base-Base interactions energy: -395.199
where: short stacking energy: -169.200
Base-Backbone interact. energy: -0.392
local terms energy: -171.078626
where:
bonds (distance) C4'-P energy: -31.754
bonds (distance) P-C4' energy: -33.625
flat angles C4'-P-C4' energy: -35.099
flat angles P-C4'-P energy: -25.579
tors. eta vs tors. theta energy: -45.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -548.271629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.271629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.271629 (E_RNA)
where:
Base-Base interactions energy: -381.984
where: short stacking energy: -165.052
Base-Backbone interact. energy: -1.621
local terms energy: -164.666558
where:
bonds (distance) C4'-P energy: -33.364
bonds (distance) P-C4' energy: -33.304
flat angles C4'-P-C4' energy: -29.281
flat angles P-C4'-P energy: -23.481
tors. eta vs tors. theta energy: -45.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -553.256888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.256888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.256888 (E_RNA)
where:
Base-Base interactions energy: -368.514
where: short stacking energy: -173.834
Base-Backbone interact. energy: -0.008
local terms energy: -184.734074
where:
bonds (distance) C4'-P energy: -34.668
bonds (distance) P-C4' energy: -27.256
flat angles C4'-P-C4' energy: -39.852
flat angles P-C4'-P energy: -29.238
tors. eta vs tors. theta energy: -53.721
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: 7
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -521.606466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.606466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.606466 (E_RNA)
where:
Base-Base interactions energy: -367.827
where: short stacking energy: -159.794
Base-Backbone interact. energy: -0.713
local terms energy: -153.066211
where:
bonds (distance) C4'-P energy: -31.956
bonds (distance) P-C4' energy: -28.036
flat angles C4'-P-C4' energy: -29.535
flat angles P-C4'-P energy: -18.038
tors. eta vs tors. theta energy: -45.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -525.778838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.778838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.778838 (E_RNA)
where:
Base-Base interactions energy: -365.651
where: short stacking energy: -161.196
Base-Backbone interact. energy: -0.342
local terms energy: -159.786078
where:
bonds (distance) C4'-P energy: -31.585
bonds (distance) P-C4' energy: -27.627
flat angles C4'-P-C4' energy: -30.210
flat angles P-C4'-P energy: -24.655
tors. eta vs tors. theta energy: -45.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -399.759781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.759781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.759781 (E_RNA)
where:
Base-Base interactions energy: -284.059
where: short stacking energy: -120.742
Base-Backbone interact. energy: -0.754
local terms energy: -114.947103
where:
bonds (distance) C4'-P energy: -22.636
bonds (distance) P-C4' energy: -25.407
flat angles C4'-P-C4' energy: -25.303
flat angles P-C4'-P energy: -19.851
tors. eta vs tors. theta energy: -21.751
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: 4
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -386.326412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.326412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.326412 (E_RNA)
where:
Base-Base interactions energy: -261.712
where: short stacking energy: -125.377
Base-Backbone interact. energy: -0.212
local terms energy: -124.402787
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -31.713
flat angles C4'-P-C4' energy: -25.700
flat angles P-C4'-P energy: -20.115
tors. eta vs tors. theta energy: -29.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -299.468286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.468286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.468286 (E_RNA)
where:
Base-Base interactions energy: -197.583
where: short stacking energy: -83.795
Base-Backbone interact. energy: -0.293
local terms energy: -101.592411
where:
bonds (distance) C4'-P energy: -14.349
bonds (distance) P-C4' energy: -27.603
flat angles C4'-P-C4' energy: -28.318
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -19.235
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: 10, replica: 3
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -298.174099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.174099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.174099 (E_RNA)
where:
Base-Base interactions energy: -189.201
where: short stacking energy: -103.577
Base-Backbone interact. energy: 0.604
local terms energy: -109.577325
where:
bonds (distance) C4'-P energy: -22.545
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -25.055
flat angles P-C4'-P energy: -20.871
tors. eta vs tors. theta energy: -23.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -590.115017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.115017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.115017 (E_RNA)
where:
Base-Base interactions energy: -416.398
where: short stacking energy: -173.188
Base-Backbone interact. energy: -0.267
local terms energy: -173.450396
where:
bonds (distance) C4'-P energy: -31.832
bonds (distance) P-C4' energy: -26.014
flat angles C4'-P-C4' energy: -36.137
flat angles P-C4'-P energy: -27.793
tors. eta vs tors. theta energy: -51.675
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: 5
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -577.366658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.366658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.366658 (E_RNA)
where:
Base-Base interactions energy: -403.604
where: short stacking energy: -179.433
Base-Backbone interact. energy: 0.587
local terms energy: -174.349962
where:
bonds (distance) C4'-P energy: -30.447
bonds (distance) P-C4' energy: -29.832
flat angles C4'-P-C4' energy: -37.601
flat angles P-C4'-P energy: -27.755
tors. eta vs tors. theta energy: -48.715
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: 8
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -556.527158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.527158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.527158 (E_RNA)
where:
Base-Base interactions energy: -380.288
where: short stacking energy: -162.443
Base-Backbone interact. energy: -0.544
local terms energy: -175.695049
where:
bonds (distance) C4'-P energy: -32.340
bonds (distance) P-C4' energy: -31.838
flat angles C4'-P-C4' energy: -37.582
flat angles P-C4'-P energy: -24.192
tors. eta vs tors. theta energy: -49.743
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: 7
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -532.404603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.404603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.404603 (E_RNA)
where:
Base-Base interactions energy: -378.778
where: short stacking energy: -162.304
Base-Backbone interact. energy: -0.322
local terms energy: -153.304912
where:
bonds (distance) C4'-P energy: -16.191
bonds (distance) P-C4' energy: -34.457
flat angles C4'-P-C4' energy: -33.774
flat angles P-C4'-P energy: -22.751
tors. eta vs tors. theta energy: -46.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -527.028207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.028207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.028207 (E_RNA)
where:
Base-Base interactions energy: -360.434
where: short stacking energy: -164.345
Base-Backbone interact. energy: -0.198
local terms energy: -166.395926
where:
bonds (distance) C4'-P energy: -30.966
bonds (distance) P-C4' energy: -28.181
flat angles C4'-P-C4' energy: -37.638
flat angles P-C4'-P energy: -22.292
tors. eta vs tors. theta energy: -47.320
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: 6, replica: 2
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -520.021317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.021317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.021317 (E_RNA)
where:
Base-Base interactions energy: -352.619
where: short stacking energy: -156.349
Base-Backbone interact. energy: -0.828
local terms energy: -166.575045
where:
bonds (distance) C4'-P energy: -30.826
bonds (distance) P-C4' energy: -32.634
flat angles C4'-P-C4' energy: -33.244
flat angles P-C4'-P energy: -20.734
tors. eta vs tors. theta energy: -49.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -423.661275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.661275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.661275 (E_RNA)
where:
Base-Base interactions energy: -284.378
where: short stacking energy: -143.846
Base-Backbone interact. energy: -0.167
local terms energy: -139.116258
where:
bonds (distance) C4'-P energy: -26.992
bonds (distance) P-C4' energy: -28.836
flat angles C4'-P-C4' energy: -27.477
flat angles P-C4'-P energy: -20.149
tors. eta vs tors. theta energy: -35.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -389.906822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.906822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.906822 (E_RNA)
where:
Base-Base interactions energy: -264.718
where: short stacking energy: -133.654
Base-Backbone interact. energy: -0.272
local terms energy: -124.916633
where:
bonds (distance) C4'-P energy: -27.232
bonds (distance) P-C4' energy: -26.250
flat angles C4'-P-C4' energy: -32.760
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -29.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -317.182769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.182769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.182769 (E_RNA)
where:
Base-Base interactions energy: -212.086
where: short stacking energy: -94.273
Base-Backbone interact. energy: -1.752
local terms energy: -103.344434
where:
bonds (distance) C4'-P energy: -28.088
bonds (distance) P-C4' energy: -31.214
flat angles C4'-P-C4' energy: -21.508
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -14.284
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: 3
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -298.412993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.412993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.412993 (E_RNA)
where:
Base-Base interactions energy: -178.272
where: short stacking energy: -88.814
Base-Backbone interact. energy: -0.217
local terms energy: -119.924442
where:
bonds (distance) C4'-P energy: -23.395
bonds (distance) P-C4' energy: -32.283
flat angles C4'-P-C4' energy: -30.286
flat angles P-C4'-P energy: -21.806
tors. eta vs tors. theta energy: -12.154
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: 1, replica: 9
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -587.243779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.243779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.243779 (E_RNA)
where:
Base-Base interactions energy: -412.381
where: short stacking energy: -167.882
Base-Backbone interact. energy: -0.839
local terms energy: -174.023827
where:
bonds (distance) C4'-P energy: -26.810
bonds (distance) P-C4' energy: -32.038
flat angles C4'-P-C4' energy: -36.974
flat angles P-C4'-P energy: -29.000
tors. eta vs tors. theta energy: -49.202
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: 2, replica: 5
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -580.538351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.538351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.538351 (E_RNA)
where:
Base-Base interactions energy: -397.474
where: short stacking energy: -181.905
Base-Backbone interact. energy: -0.825
local terms energy: -182.239237
where:
bonds (distance) C4'-P energy: -31.843
bonds (distance) P-C4' energy: -30.944
flat angles C4'-P-C4' energy: -34.999
flat angles P-C4'-P energy: -32.078
tors. eta vs tors. theta energy: -52.374
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: 8
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -560.039535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.039535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.039535 (E_RNA)
where:
Base-Base interactions energy: -388.373
where: short stacking energy: -175.610
Base-Backbone interact. energy: -1.217
local terms energy: -170.449165
where:
bonds (distance) C4'-P energy: -27.747
bonds (distance) P-C4' energy: -32.455
flat angles C4'-P-C4' energy: -37.564
flat angles P-C4'-P energy: -22.313
tors. eta vs tors. theta energy: -50.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -565.426745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.426745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.426745 (E_RNA)
where:
Base-Base interactions energy: -392.190
where: short stacking energy: -172.772
Base-Backbone interact. energy: -1.175
local terms energy: -172.061774
where:
bonds (distance) C4'-P energy: -31.386
bonds (distance) P-C4' energy: -32.441
flat angles C4'-P-C4' energy: -37.657
flat angles P-C4'-P energy: -23.728
tors. eta vs tors. theta energy: -46.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -528.970343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.970343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.970343 (E_RNA)
where:
Base-Base interactions energy: -356.793
where: short stacking energy: -160.851
Base-Backbone interact. energy: -0.305
local terms energy: -171.872293
where:
bonds (distance) C4'-P energy: -31.964
bonds (distance) P-C4' energy: -35.089
flat angles C4'-P-C4' energy: -31.844
flat angles P-C4'-P energy: -23.445
tors. eta vs tors. theta energy: -49.529
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: 6, replica: 6
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -512.802054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.802054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.802054 (E_RNA)
where:
Base-Base interactions energy: -356.128
where: short stacking energy: -167.092
Base-Backbone interact. energy: -0.950
local terms energy: -155.723720
where:
bonds (distance) C4'-P energy: -30.148
bonds (distance) P-C4' energy: -31.881
flat angles C4'-P-C4' energy: -27.051
flat angles P-C4'-P energy: -20.989
tors. eta vs tors. theta energy: -45.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -375.470453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.470453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.470453 (E_RNA)
where:
Base-Base interactions energy: -245.112
where: short stacking energy: -111.360
Base-Backbone interact. energy: -0.886
local terms energy: -129.471781
where:
bonds (distance) C4'-P energy: -26.657
bonds (distance) P-C4' energy: -29.529
flat angles C4'-P-C4' energy: -35.573
flat angles P-C4'-P energy: -20.071
tors. eta vs tors. theta energy: -17.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -390.683999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.683999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.683999 (E_RNA)
where:
Base-Base interactions energy: -254.966
where: short stacking energy: -108.589
Base-Backbone interact. energy: -0.653
local terms energy: -135.064629
where:
bonds (distance) C4'-P energy: -17.838
bonds (distance) P-C4' energy: -37.026
flat angles C4'-P-C4' energy: -34.744
flat angles P-C4'-P energy: -17.561
tors. eta vs tors. theta energy: -27.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -311.541542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.541542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.541542 (E_RNA)
where:
Base-Base interactions energy: -192.414
where: short stacking energy: -89.022
Base-Backbone interact. energy: -0.540
local terms energy: -118.587812
where:
bonds (distance) C4'-P energy: -21.246
bonds (distance) P-C4' energy: -26.824
flat angles C4'-P-C4' energy: -29.226
flat angles P-C4'-P energy: -23.165
tors. eta vs tors. theta energy: -18.127
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: 1
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -294.837801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.837801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.837801 (E_RNA)
where:
Base-Base interactions energy: -180.792
where: short stacking energy: -85.019
Base-Backbone interact. energy: -0.172
local terms energy: -113.873988
where:
bonds (distance) C4'-P energy: -29.984
bonds (distance) P-C4' energy: -26.076
flat angles C4'-P-C4' energy: -25.284
flat angles P-C4'-P energy: -18.308
tors. eta vs tors. theta energy: -14.222
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: 9
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -580.442943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.442943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.442943 (E_RNA)
where:
Base-Base interactions energy: -410.954
where: short stacking energy: -169.712
Base-Backbone interact. energy: -0.027
local terms energy: -169.462643
where:
bonds (distance) C4'-P energy: -32.120
bonds (distance) P-C4' energy: -24.716
flat angles C4'-P-C4' energy: -36.061
flat angles P-C4'-P energy: -28.809
tors. eta vs tors. theta energy: -47.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -582.114060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.114060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.114060 (E_RNA)
where:
Base-Base interactions energy: -409.085
where: short stacking energy: -182.101
Base-Backbone interact. energy: 2.743
local terms energy: -175.772633
where:
bonds (distance) C4'-P energy: -29.185
bonds (distance) P-C4' energy: -28.808
flat angles C4'-P-C4' energy: -36.369
flat angles P-C4'-P energy: -27.344
tors. eta vs tors. theta energy: -54.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -557.049866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.049866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.049866 (E_RNA)
where:
Base-Base interactions energy: -388.973
where: short stacking energy: -175.722
Base-Backbone interact. energy: -1.392
local terms energy: -166.684365
where:
bonds (distance) C4'-P energy: -31.328
bonds (distance) P-C4' energy: -23.605
flat angles C4'-P-C4' energy: -37.739
flat angles P-C4'-P energy: -25.618
tors. eta vs tors. theta energy: -48.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -545.764854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.764854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.764854 (E_RNA)
where:
Base-Base interactions energy: -375.769
where: short stacking energy: -177.338
Base-Backbone interact. energy: 1.009
local terms energy: -171.004322
where:
bonds (distance) C4'-P energy: -35.091
bonds (distance) P-C4' energy: -25.156
flat angles C4'-P-C4' energy: -34.203
flat angles P-C4'-P energy: -25.548
tors. eta vs tors. theta energy: -51.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -522.107016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.107016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.107016 (E_RNA)
where:
Base-Base interactions energy: -362.545
where: short stacking energy: -149.574
Base-Backbone interact. energy: -1.501
local terms energy: -158.060488
where:
bonds (distance) C4'-P energy: -29.657
bonds (distance) P-C4' energy: -32.628
flat angles C4'-P-C4' energy: -32.164
flat angles P-C4'-P energy: -19.727
tors. eta vs tors. theta energy: -43.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -512.642859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.642859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.642859 (E_RNA)
where:
Base-Base interactions energy: -354.508
where: short stacking energy: -161.409
Base-Backbone interact. energy: -1.009
local terms energy: -157.125338
where:
bonds (distance) C4'-P energy: -23.383
bonds (distance) P-C4' energy: -33.029
flat angles C4'-P-C4' energy: -31.353
flat angles P-C4'-P energy: -23.075
tors. eta vs tors. theta energy: -46.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -370.978316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.978316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.978316 (E_RNA)
where:
Base-Base interactions energy: -247.915
where: short stacking energy: -102.391
Base-Backbone interact. energy: -0.020
local terms energy: -123.043355
where:
bonds (distance) C4'-P energy: -26.216
bonds (distance) P-C4' energy: -28.422
flat angles C4'-P-C4' energy: -34.392
flat angles P-C4'-P energy: -18.292
tors. eta vs tors. theta energy: -15.721
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: 10
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -383.038770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.038770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.038770 (E_RNA)
where:
Base-Base interactions energy: -259.523
where: short stacking energy: -108.814
Base-Backbone interact. energy: -0.358
local terms energy: -123.157652
where:
bonds (distance) C4'-P energy: -32.249
bonds (distance) P-C4' energy: -20.458
flat angles C4'-P-C4' energy: -28.985
flat angles P-C4'-P energy: -21.029
tors. eta vs tors. theta energy: -20.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -328.524434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.524434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.524434 (E_RNA)
where:
Base-Base interactions energy: -214.489
where: short stacking energy: -98.996
Base-Backbone interact. energy: -0.813
local terms energy: -113.223036
where:
bonds (distance) C4'-P energy: -29.576
bonds (distance) P-C4' energy: -28.817
flat angles C4'-P-C4' energy: -24.841
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -18.693
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: 1
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -296.513692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.513692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.513692 (E_RNA)
where:
Base-Base interactions energy: -174.526
where: short stacking energy: -97.005
Base-Backbone interact. energy: -0.321
local terms energy: -121.666430
where:
bonds (distance) C4'-P energy: -29.787
bonds (distance) P-C4' energy: -26.828
flat angles C4'-P-C4' energy: -30.420
flat angles P-C4'-P energy: -20.382
tors. eta vs tors. theta energy: -14.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -589.872368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.872368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.872368 (E_RNA)
where:
Base-Base interactions energy: -405.516
where: short stacking energy: -182.711
Base-Backbone interact. energy: -0.389
local terms energy: -183.968003
where:
bonds (distance) C4'-P energy: -38.456
bonds (distance) P-C4' energy: -31.260
flat angles C4'-P-C4' energy: -39.236
flat angles P-C4'-P energy: -24.191
tors. eta vs tors. theta energy: -50.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -567.141928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.141928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.141928 (E_RNA)
where:
Base-Base interactions energy: -394.167
where: short stacking energy: -166.415
Base-Backbone interact. energy: -0.484
local terms energy: -172.491550
where:
bonds (distance) C4'-P energy: -31.078
bonds (distance) P-C4' energy: -38.302
flat angles C4'-P-C4' energy: -33.901
flat angles P-C4'-P energy: -24.576
tors. eta vs tors. theta energy: -44.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -540.472130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.472130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.472130 (E_RNA)
where:
Base-Base interactions energy: -371.854
where: short stacking energy: -169.059
Base-Backbone interact. energy: -0.517
local terms energy: -168.101418
where:
bonds (distance) C4'-P energy: -35.588
bonds (distance) P-C4' energy: -25.670
flat angles C4'-P-C4' energy: -35.100
flat angles P-C4'-P energy: -23.407
tors. eta vs tors. theta energy: -48.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -554.561082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.561082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.561082 (E_RNA)
where:
Base-Base interactions energy: -387.403
where: short stacking energy: -173.935
Base-Backbone interact. energy: 0.556
local terms energy: -167.714190
where:
bonds (distance) C4'-P energy: -29.556
bonds (distance) P-C4' energy: -33.530
flat angles C4'-P-C4' energy: -32.379
flat angles P-C4'-P energy: -21.167
tors. eta vs tors. theta energy: -51.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -524.616169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.616169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.616169 (E_RNA)
where:
Base-Base interactions energy: -363.007
where: short stacking energy: -154.386
Base-Backbone interact. energy: -0.838
local terms energy: -160.770661
where:
bonds (distance) C4'-P energy: -27.825
bonds (distance) P-C4' energy: -28.080
flat angles C4'-P-C4' energy: -31.802
flat angles P-C4'-P energy: -24.207
tors. eta vs tors. theta energy: -48.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -514.800160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.800160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.800160 (E_RNA)
where:
Base-Base interactions energy: -364.597
where: short stacking energy: -153.130
Base-Backbone interact. energy: -0.580
local terms energy: -149.623690
where:
bonds (distance) C4'-P energy: -22.074
bonds (distance) P-C4' energy: -28.665
flat angles C4'-P-C4' energy: -28.756
flat angles P-C4'-P energy: -21.804
tors. eta vs tors. theta energy: -48.324
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: 4
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -392.440840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.440840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.440840 (E_RNA)
where:
Base-Base interactions energy: -251.822
where: short stacking energy: -115.649
Base-Backbone interact. energy: -0.107
local terms energy: -140.512218
where:
bonds (distance) C4'-P energy: -30.042
bonds (distance) P-C4' energy: -30.061
flat angles C4'-P-C4' energy: -32.235
flat angles P-C4'-P energy: -18.636
tors. eta vs tors. theta energy: -29.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -449.729811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.729811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.729811 (E_RNA)
where:
Base-Base interactions energy: -315.651
where: short stacking energy: -134.496
Base-Backbone interact. energy: 0.031
local terms energy: -134.109748
where:
bonds (distance) C4'-P energy: -25.647
bonds (distance) P-C4' energy: -26.163
flat angles C4'-P-C4' energy: -31.421
flat angles P-C4'-P energy: -21.717
tors. eta vs tors. theta energy: -29.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -310.927095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.927095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.927095 (E_RNA)
where:
Base-Base interactions energy: -195.632
where: short stacking energy: -108.184
Base-Backbone interact. energy: -0.281
local terms energy: -115.014184
where:
bonds (distance) C4'-P energy: -23.206
bonds (distance) P-C4' energy: -31.506
flat angles C4'-P-C4' energy: -22.601
flat angles P-C4'-P energy: -19.377
tors. eta vs tors. theta energy: -18.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -268.016876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.016876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.016876 (E_RNA)
where:
Base-Base interactions energy: -165.456
where: short stacking energy: -85.336
Base-Backbone interact. energy: -0.367
local terms energy: -102.194503
where:
bonds (distance) C4'-P energy: -20.506
bonds (distance) P-C4' energy: -28.719
flat angles C4'-P-C4' energy: -23.098
flat angles P-C4'-P energy: -16.935
tors. eta vs tors. theta energy: -12.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -602.871226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.871226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.871226 (E_RNA)
where:
Base-Base interactions energy: -410.090
where: short stacking energy: -184.296
Base-Backbone interact. energy: -1.175
local terms energy: -191.605746
where:
bonds (distance) C4'-P energy: -33.856
bonds (distance) P-C4' energy: -39.361
flat angles C4'-P-C4' energy: -38.064
flat angles P-C4'-P energy: -26.089
tors. eta vs tors. theta energy: -54.236
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: 9
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -572.457205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.457205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.457205 (E_RNA)
where:
Base-Base interactions energy: -405.047
where: short stacking energy: -172.467
Base-Backbone interact. energy: -0.363
local terms energy: -167.047840
where:
bonds (distance) C4'-P energy: -33.518
bonds (distance) P-C4' energy: -33.219
flat angles C4'-P-C4' energy: -39.310
flat angles P-C4'-P energy: -17.350
tors. eta vs tors. theta energy: -43.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -540.653629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.653629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.653629 (E_RNA)
where:
Base-Base interactions energy: -380.710
where: short stacking energy: -178.313
Base-Backbone interact. energy: -0.297
local terms energy: -159.646163
where:
bonds (distance) C4'-P energy: -26.850
bonds (distance) P-C4' energy: -28.844
flat angles C4'-P-C4' energy: -37.471
flat angles P-C4'-P energy: -19.848
tors. eta vs tors. theta energy: -46.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -549.285758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.285758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.285758 (E_RNA)
where:
Base-Base interactions energy: -381.533
where: short stacking energy: -173.908
Base-Backbone interact. energy: -0.023
local terms energy: -167.729188
where:
bonds (distance) C4'-P energy: -26.998
bonds (distance) P-C4' energy: -28.869
flat angles C4'-P-C4' energy: -38.640
flat angles P-C4'-P energy: -25.643
tors. eta vs tors. theta energy: -47.579
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: 8
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -545.036440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.036440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.036440 (E_RNA)
where:
Base-Base interactions energy: -381.520
where: short stacking energy: -166.591
Base-Backbone interact. energy: -0.637
local terms energy: -162.878994
where:
bonds (distance) C4'-P energy: -30.803
bonds (distance) P-C4' energy: -24.061
flat angles C4'-P-C4' energy: -36.298
flat angles P-C4'-P energy: -23.501
tors. eta vs tors. theta energy: -48.216
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: 7
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -537.693448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.693448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.693448 (E_RNA)
where:
Base-Base interactions energy: -391.987
where: short stacking energy: -150.933
Base-Backbone interact. energy: -0.763
local terms energy: -144.943472
where:
bonds (distance) C4'-P energy: -25.319
bonds (distance) P-C4' energy: -25.908
flat angles C4'-P-C4' energy: -33.194
flat angles P-C4'-P energy: -17.141
tors. eta vs tors. theta energy: -43.382
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: 4
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -381.088861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.088861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.088861 (E_RNA)
where:
Base-Base interactions energy: -251.289
where: short stacking energy: -110.988
Base-Backbone interact. energy: -0.198
local terms energy: -129.601897
where:
bonds (distance) C4'-P energy: -18.798
bonds (distance) P-C4' energy: -35.074
flat angles C4'-P-C4' energy: -31.713
flat angles P-C4'-P energy: -22.427
tors. eta vs tors. theta energy: -21.591
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: 339
Temperature: 1.250000
Total energy: -456.888557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.888557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.888557 (E_RNA)
where:
Base-Base interactions energy: -335.318
where: short stacking energy: -134.309
Base-Backbone interact. energy: -1.245
local terms energy: -120.325462
where:
bonds (distance) C4'-P energy: -24.728
bonds (distance) P-C4' energy: -26.393
flat angles C4'-P-C4' energy: -26.715
flat angles P-C4'-P energy: -15.504
tors. eta vs tors. theta energy: -26.986
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: 1
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -318.443029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.443029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.443029 (E_RNA)
where:
Base-Base interactions energy: -215.150
where: short stacking energy: -101.801
Base-Backbone interact. energy: -0.994
local terms energy: -102.298714
where:
bonds (distance) C4'-P energy: -19.875
bonds (distance) P-C4' energy: -25.122
flat angles C4'-P-C4' energy: -30.983
flat angles P-C4'-P energy: -13.171
tors. eta vs tors. theta energy: -13.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -278.460543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.460543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.460543 (E_RNA)
where:
Base-Base interactions energy: -175.575
where: short stacking energy: -91.984
Base-Backbone interact. energy: -0.542
local terms energy: -102.343041
where:
bonds (distance) C4'-P energy: -21.622
bonds (distance) P-C4' energy: -27.440
flat angles C4'-P-C4' energy: -25.599
flat angles P-C4'-P energy: -16.128
tors. eta vs tors. theta energy: -11.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -584.839952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.839952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.839952 (E_RNA)
where:
Base-Base interactions energy: -403.135
where: short stacking energy: -184.278
Base-Backbone interact. energy: -1.193
local terms energy: -180.512288
where:
bonds (distance) C4'-P energy: -32.426
bonds (distance) P-C4' energy: -32.953
flat angles C4'-P-C4' energy: -38.249
flat angles P-C4'-P energy: -27.075
tors. eta vs tors. theta energy: -49.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -590.897672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.897672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.897672 (E_RNA)
where:
Base-Base interactions energy: -408.009
where: short stacking energy: -178.497
Base-Backbone interact. energy: -0.855
local terms energy: -182.034368
where:
bonds (distance) C4'-P energy: -33.476
bonds (distance) P-C4' energy: -33.234
flat angles C4'-P-C4' energy: -34.358
flat angles P-C4'-P energy: -25.169
tors. eta vs tors. theta energy: -55.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -546.849605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.849605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.849605 (E_RNA)
where:
Base-Base interactions energy: -375.584
where: short stacking energy: -171.618
Base-Backbone interact. energy: -0.021
local terms energy: -171.244717
where:
bonds (distance) C4'-P energy: -32.614
bonds (distance) P-C4' energy: -31.975
flat angles C4'-P-C4' energy: -32.970
flat angles P-C4'-P energy: -27.417
tors. eta vs tors. theta energy: -46.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -539.281221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.281221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.281221 (E_RNA)
where:
Base-Base interactions energy: -372.008
where: short stacking energy: -175.721
Base-Backbone interact. energy: -1.023
local terms energy: -166.250966
where:
bonds (distance) C4'-P energy: -30.951
bonds (distance) P-C4' energy: -31.365
flat angles C4'-P-C4' energy: -33.710
flat angles P-C4'-P energy: -20.361
tors. eta vs tors. theta energy: -49.864
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: 7
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -531.739047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.739047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.739047 (E_RNA)
where:
Base-Base interactions energy: -387.151
where: short stacking energy: -148.749
Base-Backbone interact. energy: -0.849
local terms energy: -143.738430
where:
bonds (distance) C4'-P energy: -31.402
bonds (distance) P-C4' energy: -27.633
flat angles C4'-P-C4' energy: -31.999
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -39.713
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: 8
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -518.489064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.489064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.489064 (E_RNA)
where:
Base-Base interactions energy: -363.714
where: short stacking energy: -151.392
Base-Backbone interact. energy: -1.197
local terms energy: -153.578882
where:
bonds (distance) C4'-P energy: -25.581
bonds (distance) P-C4' energy: -25.387
flat angles C4'-P-C4' energy: -35.763
flat angles P-C4'-P energy: -21.775
tors. eta vs tors. theta energy: -45.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -440.268238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.268238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.268238 (E_RNA)
where:
Base-Base interactions energy: -300.642
where: short stacking energy: -122.375
Base-Backbone interact. energy: 2.111
local terms energy: -141.737657
where:
bonds (distance) C4'-P energy: -29.784
bonds (distance) P-C4' energy: -21.102
flat angles C4'-P-C4' energy: -33.886
flat angles P-C4'-P energy: -20.973
tors. eta vs tors. theta energy: -35.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -368.638748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.638748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.638748 (E_RNA)
where:
Base-Base interactions energy: -251.020
where: short stacking energy: -117.066
Base-Backbone interact. energy: -3.092
local terms energy: -114.526806
where:
bonds (distance) C4'-P energy: -27.553
bonds (distance) P-C4' energy: -29.144
flat angles C4'-P-C4' energy: -27.825
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -18.282
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: 3
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -305.715780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.715780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.715780 (E_RNA)
where:
Base-Base interactions energy: -196.327
where: short stacking energy: -83.471
Base-Backbone interact. energy: 0.672
local terms energy: -110.061170
where:
bonds (distance) C4'-P energy: -24.999
bonds (distance) P-C4' energy: -32.549
flat angles C4'-P-C4' energy: -24.822
flat angles P-C4'-P energy: -15.651
tors. eta vs tors. theta energy: -12.040
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: 1
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -298.865059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.865059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.865059 (E_RNA)
where:
Base-Base interactions energy: -183.801
where: short stacking energy: -96.543
Base-Backbone interact. energy: -0.342
local terms energy: -114.722044
where:
bonds (distance) C4'-P energy: -21.546
bonds (distance) P-C4' energy: -29.795
flat angles C4'-P-C4' energy: -31.806
flat angles P-C4'-P energy: -13.736
tors. eta vs tors. theta energy: -17.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -596.695485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.695485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.695485 (E_RNA)
where:
Base-Base interactions energy: -418.306
where: short stacking energy: -184.864
Base-Backbone interact. energy: -0.195
local terms energy: -178.195100
where:
bonds (distance) C4'-P energy: -28.996
bonds (distance) P-C4' energy: -34.630
flat angles C4'-P-C4' energy: -35.087
flat angles P-C4'-P energy: -26.597
tors. eta vs tors. theta energy: -52.885
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: 9
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -582.109848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.109848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.109848 (E_RNA)
where:
Base-Base interactions energy: -405.175
where: short stacking energy: -168.465
Base-Backbone interact. energy: -0.721
local terms energy: -176.213584
where:
bonds (distance) C4'-P energy: -31.875
bonds (distance) P-C4' energy: -33.565
flat angles C4'-P-C4' energy: -35.779
flat angles P-C4'-P energy: -26.128
tors. eta vs tors. theta energy: -48.867
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: 2
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -540.938175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.938175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.938175 (E_RNA)
where:
Base-Base interactions energy: -371.130
where: short stacking energy: -167.989
Base-Backbone interact. energy: -0.365
local terms energy: -169.443681
where:
bonds (distance) C4'-P energy: -33.463
bonds (distance) P-C4' energy: -29.767
flat angles C4'-P-C4' energy: -32.086
flat angles P-C4'-P energy: -25.247
tors. eta vs tors. theta energy: -48.882
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: 341
Temperature: 1.050000
Total energy: -548.414535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.414535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.414535 (E_RNA)
where:
Base-Base interactions energy: -388.943
where: short stacking energy: -153.297
Base-Backbone interact. energy: -1.827
local terms energy: -157.644568
where:
bonds (distance) C4'-P energy: -32.202
bonds (distance) P-C4' energy: -30.476
flat angles C4'-P-C4' energy: -35.244
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: -44.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -520.278102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.278102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.278102 (E_RNA)
where:
Base-Base interactions energy: -353.724
where: short stacking energy: -151.647
Base-Backbone interact. energy: 1.674
local terms energy: -168.228785
where:
bonds (distance) C4'-P energy: -29.999
bonds (distance) P-C4' energy: -29.035
flat angles C4'-P-C4' energy: -36.929
flat angles P-C4'-P energy: -27.490
tors. eta vs tors. theta energy: -44.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -535.737441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.737441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.737441 (E_RNA)
where:
Base-Base interactions energy: -381.327
where: short stacking energy: -161.984
Base-Backbone interact. energy: -1.146
local terms energy: -153.264170
where:
bonds (distance) C4'-P energy: -24.356
bonds (distance) P-C4' energy: -26.747
flat angles C4'-P-C4' energy: -33.032
flat angles P-C4'-P energy: -20.135
tors. eta vs tors. theta energy: -48.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -462.235049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.235049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.235049 (E_RNA)
where:
Base-Base interactions energy: -324.311
where: short stacking energy: -139.153
Base-Backbone interact. energy: -0.479
local terms energy: -137.445502
where:
bonds (distance) C4'-P energy: -24.963
bonds (distance) P-C4' energy: -24.297
flat angles C4'-P-C4' energy: -30.965
flat angles P-C4'-P energy: -22.446
tors. eta vs tors. theta energy: -34.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -382.644971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.644971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.644971 (E_RNA)
where:
Base-Base interactions energy: -260.897
where: short stacking energy: -107.180
Base-Backbone interact. energy: -1.589
local terms energy: -120.158654
where:
bonds (distance) C4'-P energy: -29.338
bonds (distance) P-C4' energy: -23.282
flat angles C4'-P-C4' energy: -31.095
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -24.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -302.118376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.118376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.118376 (E_RNA)
where:
Base-Base interactions energy: -184.137
where: short stacking energy: -90.940
Base-Backbone interact. energy: 1.022
local terms energy: -119.003555
where:
bonds (distance) C4'-P energy: -24.554
bonds (distance) P-C4' energy: -29.519
flat angles C4'-P-C4' energy: -26.784
flat angles P-C4'-P energy: -24.566
tors. eta vs tors. theta energy: -13.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -305.699672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.699672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.699672 (E_RNA)
where:
Base-Base interactions energy: -193.966
where: short stacking energy: -82.769
Base-Backbone interact. energy: -0.129
local terms energy: -111.604433
where:
bonds (distance) C4'-P energy: -20.258
bonds (distance) P-C4' energy: -31.809
flat angles C4'-P-C4' energy: -26.601
flat angles P-C4'-P energy: -17.075
tors. eta vs tors. theta energy: -15.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -585.090262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.090262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.090262 (E_RNA)
where:
Base-Base interactions energy: -402.315
where: short stacking energy: -184.558
Base-Backbone interact. energy: -0.919
local terms energy: -181.856561
where:
bonds (distance) C4'-P energy: -33.260
bonds (distance) P-C4' energy: -35.683
flat angles C4'-P-C4' energy: -35.989
flat angles P-C4'-P energy: -27.402
tors. eta vs tors. theta energy: -49.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -569.292643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.292643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.292643 (E_RNA)
where:
Base-Base interactions energy: -394.329
where: short stacking energy: -167.654
Base-Backbone interact. energy: -0.764
local terms energy: -174.199844
where:
bonds (distance) C4'-P energy: -35.771
bonds (distance) P-C4' energy: -32.427
flat angles C4'-P-C4' energy: -35.337
flat angles P-C4'-P energy: -20.219
tors. eta vs tors. theta energy: -50.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -558.358684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.358684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.358684 (E_RNA)
where:
Base-Base interactions energy: -400.105
where: short stacking energy: -155.804
Base-Backbone interact. energy: -0.024
local terms energy: -158.230441
where:
bonds (distance) C4'-P energy: -30.169
bonds (distance) P-C4' energy: -30.951
flat angles C4'-P-C4' energy: -34.055
flat angles P-C4'-P energy: -22.572
tors. eta vs tors. theta energy: -40.484
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: 4, replica: 2
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -554.205681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.205681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.205681 (E_RNA)
where:
Base-Base interactions energy: -382.273
where: short stacking energy: -169.486
Base-Backbone interact. energy: -0.015
local terms energy: -171.918326
where:
bonds (distance) C4'-P energy: -33.789
bonds (distance) P-C4' energy: -34.547
flat angles C4'-P-C4' energy: -35.201
flat angles P-C4'-P energy: -20.726
tors. eta vs tors. theta energy: -47.655
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: 5, replica: 8
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -526.836937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.836937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.836937 (E_RNA)
where:
Base-Base interactions energy: -378.225
where: short stacking energy: -164.955
Base-Backbone interact. energy: -0.863
local terms energy: -147.748322
where:
bonds (distance) C4'-P energy: -24.865
bonds (distance) P-C4' energy: -28.653
flat angles C4'-P-C4' energy: -31.447
flat angles P-C4'-P energy: -19.638
tors. eta vs tors. theta energy: -43.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -515.182928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.182928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.182928 (E_RNA)
where:
Base-Base interactions energy: -356.496
where: short stacking energy: -144.415
Base-Backbone interact. energy: 1.350
local terms energy: -160.037251
where:
bonds (distance) C4'-P energy: -29.069
bonds (distance) P-C4' energy: -32.822
flat angles C4'-P-C4' energy: -32.168
flat angles P-C4'-P energy: -22.557
tors. eta vs tors. theta energy: -43.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -409.733803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.733803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.733803 (E_RNA)
where:
Base-Base interactions energy: -267.638
where: short stacking energy: -115.764
Base-Backbone interact. energy: -0.904
local terms energy: -141.191666
where:
bonds (distance) C4'-P energy: -25.729
bonds (distance) P-C4' energy: -29.933
flat angles C4'-P-C4' energy: -32.107
flat angles P-C4'-P energy: -25.829
tors. eta vs tors. theta energy: -27.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -440.119732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.119732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.119732 (E_RNA)
where:
Base-Base interactions energy: -305.069
where: short stacking energy: -134.920
Base-Backbone interact. energy: -0.283
local terms energy: -134.767668
where:
bonds (distance) C4'-P energy: -22.166
bonds (distance) P-C4' energy: -29.161
flat angles C4'-P-C4' energy: -31.378
flat angles P-C4'-P energy: -22.089
tors. eta vs tors. theta energy: -29.974
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: 1
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -309.924202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.924202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.924202 (E_RNA)
where:
Base-Base interactions energy: -178.334
where: short stacking energy: -88.038
Base-Backbone interact. energy: -1.625
local terms energy: -129.965072
where:
bonds (distance) C4'-P energy: -25.934
bonds (distance) P-C4' energy: -32.695
flat angles C4'-P-C4' energy: -30.576
flat angles P-C4'-P energy: -23.569
tors. eta vs tors. theta energy: -17.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -301.062162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.062162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.062162 (E_RNA)
where:
Base-Base interactions energy: -190.024
where: short stacking energy: -84.464
Base-Backbone interact. energy: -0.306
local terms energy: -110.731877
where:
bonds (distance) C4'-P energy: -28.580
bonds (distance) P-C4' energy: -27.123
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -23.018
tors. eta vs tors. theta energy: -13.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -589.468399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.468399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.468399 (E_RNA)
where:
Base-Base interactions energy: -403.095
where: short stacking energy: -182.110
Base-Backbone interact. energy: -0.872
local terms energy: -185.501462
where:
bonds (distance) C4'-P energy: -37.799
bonds (distance) P-C4' energy: -35.914
flat angles C4'-P-C4' energy: -35.888
flat angles P-C4'-P energy: -24.267
tors. eta vs tors. theta energy: -51.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -569.807201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.807201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.807201 (E_RNA)
where:
Base-Base interactions energy: -411.277
where: short stacking energy: -159.647
Base-Backbone interact. energy: -2.233
local terms energy: -156.297299
where:
bonds (distance) C4'-P energy: -26.323
bonds (distance) P-C4' energy: -33.799
flat angles C4'-P-C4' energy: -34.956
flat angles P-C4'-P energy: -17.939
tors. eta vs tors. theta energy: -43.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -557.564335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.564335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.564335 (E_RNA)
where:
Base-Base interactions energy: -395.298
where: short stacking energy: -159.970
Base-Backbone interact. energy: -0.271
local terms energy: -161.995430
where:
bonds (distance) C4'-P energy: -30.927
bonds (distance) P-C4' energy: -30.039
flat angles C4'-P-C4' energy: -30.298
flat angles P-C4'-P energy: -23.242
tors. eta vs tors. theta energy: -47.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -555.860034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.860034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.860034 (E_RNA)
where:
Base-Base interactions energy: -389.511
where: short stacking energy: -166.200
Base-Backbone interact. energy: -1.527
local terms energy: -164.822685
where:
bonds (distance) C4'-P energy: -35.637
bonds (distance) P-C4' energy: -33.143
flat angles C4'-P-C4' energy: -31.283
flat angles P-C4'-P energy: -18.241
tors. eta vs tors. theta energy: -46.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -531.717685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.717685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.717685 (E_RNA)
where:
Base-Base interactions energy: -379.044
where: short stacking energy: -159.898
Base-Backbone interact. energy: -0.791
local terms energy: -151.882611
where:
bonds (distance) C4'-P energy: -25.685
bonds (distance) P-C4' energy: -25.312
flat angles C4'-P-C4' energy: -30.961
flat angles P-C4'-P energy: -22.759
tors. eta vs tors. theta energy: -47.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -422.974339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.974339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.974339 (E_RNA)
where:
Base-Base interactions energy: -289.022
where: short stacking energy: -122.680
Base-Backbone interact. energy: -0.175
local terms energy: -133.776849
where:
bonds (distance) C4'-P energy: -26.790
bonds (distance) P-C4' energy: -29.802
flat angles C4'-P-C4' energy: -32.723
flat angles P-C4'-P energy: -16.278
tors. eta vs tors. theta energy: -28.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -496.032403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.032403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.032403 (E_RNA)
where:
Base-Base interactions energy: -353.979
where: short stacking energy: -161.844
Base-Backbone interact. energy: -0.148
local terms energy: -141.905725
where:
bonds (distance) C4'-P energy: -26.451
bonds (distance) P-C4' energy: -22.031
flat angles C4'-P-C4' energy: -29.773
flat angles P-C4'-P energy: -22.081
tors. eta vs tors. theta energy: -41.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -426.396346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.396346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.396346 (E_RNA)
where:
Base-Base interactions energy: -281.375
where: short stacking energy: -126.816
Base-Backbone interact. energy: -0.187
local terms energy: -144.834083
where:
bonds (distance) C4'-P energy: -27.492
bonds (distance) P-C4' energy: -33.157
flat angles C4'-P-C4' energy: -35.583
flat angles P-C4'-P energy: -20.970
tors. eta vs tors. theta energy: -27.632
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: 1
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -348.950500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.950500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.950500 (E_RNA)
where:
Base-Base interactions energy: -229.381
where: short stacking energy: -110.440
Base-Backbone interact. energy: 0.301
local terms energy: -119.870684
where:
bonds (distance) C4'-P energy: -25.523
bonds (distance) P-C4' energy: -22.627
flat angles C4'-P-C4' energy: -24.196
flat angles P-C4'-P energy: -22.423
tors. eta vs tors. theta energy: -25.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -313.869493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.869493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.869493 (E_RNA)
where:
Base-Base interactions energy: -201.856
where: short stacking energy: -99.114
Base-Backbone interact. energy: -0.149
local terms energy: -111.865052
where:
bonds (distance) C4'-P energy: -28.289
bonds (distance) P-C4' energy: -29.218
flat angles C4'-P-C4' energy: -19.133
flat angles P-C4'-P energy: -14.987
tors. eta vs tors. theta energy: -20.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -601.024519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.024519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.024519 (E_RNA)
where:
Base-Base interactions energy: -418.095
where: short stacking energy: -186.988
Base-Backbone interact. energy: -0.943
local terms energy: -181.987024
where:
bonds (distance) C4'-P energy: -30.819
bonds (distance) P-C4' energy: -36.295
flat angles C4'-P-C4' energy: -38.195
flat angles P-C4'-P energy: -21.502
tors. eta vs tors. theta energy: -55.176
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: 344
Temperature: 0.950000
Total energy: -562.395605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.395605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.395605 (E_RNA)
where:
Base-Base interactions energy: -397.696
where: short stacking energy: -156.655
Base-Backbone interact. energy: -0.339
local terms energy: -164.360350
where:
bonds (distance) C4'-P energy: -29.529
bonds (distance) P-C4' energy: -32.556
flat angles C4'-P-C4' energy: -36.349
flat angles P-C4'-P energy: -26.511
tors. eta vs tors. theta energy: -39.416
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: 2
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -556.405333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.405333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.405333 (E_RNA)
where:
Base-Base interactions energy: -394.189
where: short stacking energy: -164.976
Base-Backbone interact. energy: -0.833
local terms energy: -161.383459
where:
bonds (distance) C4'-P energy: -31.671
bonds (distance) P-C4' energy: -24.524
flat angles C4'-P-C4' energy: -33.822
flat angles P-C4'-P energy: -19.794
tors. eta vs tors. theta energy: -51.571
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: 9
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -557.536221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.536221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.536221 (E_RNA)
where:
Base-Base interactions energy: -390.045
where: short stacking energy: -167.453
Base-Backbone interact. energy: -0.017
local terms energy: -167.474203
where:
bonds (distance) C4'-P energy: -33.136
bonds (distance) P-C4' energy: -33.274
flat angles C4'-P-C4' energy: -31.647
flat angles P-C4'-P energy: -23.928
tors. eta vs tors. theta energy: -45.488
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: 8
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -531.978301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.978301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.978301 (E_RNA)
where:
Base-Base interactions energy: -364.523
where: short stacking energy: -151.613
Base-Backbone interact. energy: -0.617
local terms energy: -166.837973
where:
bonds (distance) C4'-P energy: -28.724
bonds (distance) P-C4' energy: -33.419
flat angles C4'-P-C4' energy: -34.699
flat angles P-C4'-P energy: -24.549
tors. eta vs tors. theta energy: -45.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -419.864874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.864874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.864874 (E_RNA)
where:
Base-Base interactions energy: -280.285
where: short stacking energy: -114.527
Base-Backbone interact. energy: -0.973
local terms energy: -138.606547
where:
bonds (distance) C4'-P energy: -28.736
bonds (distance) P-C4' energy: -28.498
flat angles C4'-P-C4' energy: -32.860
flat angles P-C4'-P energy: -20.539
tors. eta vs tors. theta energy: -27.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -435.765714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.765714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.765714 (E_RNA)
where:
Base-Base interactions energy: -304.176
where: short stacking energy: -139.824
Base-Backbone interact. energy: -0.709
local terms energy: -130.880351
where:
bonds (distance) C4'-P energy: -27.494
bonds (distance) P-C4' energy: -23.313
flat angles C4'-P-C4' energy: -32.612
flat angles P-C4'-P energy: -15.260
tors. eta vs tors. theta energy: -32.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -475.634014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.634014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.634014 (E_RNA)
where:
Base-Base interactions energy: -334.996
where: short stacking energy: -143.844
Base-Backbone interact. energy: -0.060
local terms energy: -140.578006
where:
bonds (distance) C4'-P energy: -33.998
bonds (distance) P-C4' energy: -28.174
flat angles C4'-P-C4' energy: -27.055
flat angles P-C4'-P energy: -15.694
tors. eta vs tors. theta energy: -35.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -383.284232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.284232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.284232 (E_RNA)
where:
Base-Base interactions energy: -251.067
where: short stacking energy: -139.219
Base-Backbone interact. energy: -0.259
local terms energy: -131.957909
where:
bonds (distance) C4'-P energy: -27.756
bonds (distance) P-C4' energy: -23.207
flat angles C4'-P-C4' energy: -25.639
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: -41.679
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: 10, replica: 3
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -274.714010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.714010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.714010 (E_RNA)
where:
Base-Base interactions energy: -168.661
where: short stacking energy: -85.074
Base-Backbone interact. energy: -0.910
local terms energy: -105.142448
where:
bonds (distance) C4'-P energy: -26.522
bonds (distance) P-C4' energy: -32.166
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -15.893
tors. eta vs tors. theta energy: -15.685
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: 345
Temperature: 0.900000
Total energy: -601.060900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.060900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.060900 (E_RNA)
where:
Base-Base interactions energy: -419.494
where: short stacking energy: -183.266
Base-Backbone interact. energy: -0.411
local terms energy: -181.155899
where:
bonds (distance) C4'-P energy: -31.105
bonds (distance) P-C4' energy: -30.905
flat angles C4'-P-C4' energy: -36.352
flat angles P-C4'-P energy: -28.851
tors. eta vs tors. theta energy: -53.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -567.483223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.483223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.483223 (E_RNA)
where:
Base-Base interactions energy: -399.552
where: short stacking energy: -179.437
Base-Backbone interact. energy: -0.889
local terms energy: -167.042142
where:
bonds (distance) C4'-P energy: -22.817
bonds (distance) P-C4' energy: -28.387
flat angles C4'-P-C4' energy: -35.442
flat angles P-C4'-P energy: -28.250
tors. eta vs tors. theta energy: -52.146
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: 345
Temperature: 1.000000
Total energy: -541.333819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.333819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.333819 (E_RNA)
where:
Base-Base interactions energy: -388.645
where: short stacking energy: -153.280
Base-Backbone interact. energy: -0.041
local terms energy: -152.647255
where:
bonds (distance) C4'-P energy: -30.938
bonds (distance) P-C4' energy: -32.229
flat angles C4'-P-C4' energy: -29.042
flat angles P-C4'-P energy: -22.499
tors. eta vs tors. theta energy: -37.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -554.853072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.853072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.853072 (E_RNA)
where:
Base-Base interactions energy: -383.631
where: short stacking energy: -161.717
Base-Backbone interact. energy: -0.600
local terms energy: -170.622248
where:
bonds (distance) C4'-P energy: -35.302
bonds (distance) P-C4' energy: -30.628
flat angles C4'-P-C4' energy: -29.365
flat angles P-C4'-P energy: -24.509
tors. eta vs tors. theta energy: -50.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -539.884710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.884710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.884710 (E_RNA)
where:
Base-Base interactions energy: -376.085
where: short stacking energy: -166.686
Base-Backbone interact. energy: -1.193
local terms energy: -162.607461
where:
bonds (distance) C4'-P energy: -31.506
bonds (distance) P-C4' energy: -29.665
flat angles C4'-P-C4' energy: -31.179
flat angles P-C4'-P energy: -20.683
tors. eta vs tors. theta energy: -49.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -446.058749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.058749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.058749 (E_RNA)
where:
Base-Base interactions energy: -306.062
where: short stacking energy: -129.155
Base-Backbone interact. energy: -0.721
local terms energy: -139.275611
where:
bonds (distance) C4'-P energy: -32.371
bonds (distance) P-C4' energy: -25.625
flat angles C4'-P-C4' energy: -34.091
flat angles P-C4'-P energy: -15.547
tors. eta vs tors. theta energy: -31.641
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: 7, replica: 4
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -413.525932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.525932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.525932 (E_RNA)
where:
Base-Base interactions energy: -290.310
where: short stacking energy: -137.261
Base-Backbone interact. energy: -0.012
local terms energy: -123.203381
where:
bonds (distance) C4'-P energy: -22.962
bonds (distance) P-C4' energy: -31.219
flat angles C4'-P-C4' energy: -26.635
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -30.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -469.804059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.804059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.804059 (E_RNA)
where:
Base-Base interactions energy: -322.611
where: short stacking energy: -147.884
Base-Backbone interact. energy: -0.331
local terms energy: -146.862272
where:
bonds (distance) C4'-P energy: -30.901
bonds (distance) P-C4' energy: -25.452
flat angles C4'-P-C4' energy: -29.865
flat angles P-C4'-P energy: -20.989
tors. eta vs tors. theta energy: -39.656
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: 1
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -365.878476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.878476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.878476 (E_RNA)
where:
Base-Base interactions energy: -233.361
where: short stacking energy: -111.546
Base-Backbone interact. energy: -0.263
local terms energy: -132.253894
where:
bonds (distance) C4'-P energy: -24.565
bonds (distance) P-C4' energy: -32.236
flat angles C4'-P-C4' energy: -33.966
flat angles P-C4'-P energy: -18.503
tors. eta vs tors. theta energy: -22.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -280.590143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.590143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.590143 (E_RNA)
where:
Base-Base interactions energy: -182.543
where: short stacking energy: -70.501
Base-Backbone interact. energy: -0.562
local terms energy: -97.485844
where:
bonds (distance) C4'-P energy: -26.025
bonds (distance) P-C4' energy: -18.539
flat angles C4'-P-C4' energy: -22.872
flat angles P-C4'-P energy: -19.118
tors. eta vs tors. theta energy: -10.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -590.324903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.324903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.324903 (E_RNA)
where:
Base-Base interactions energy: -413.070
where: short stacking energy: -187.303
Base-Backbone interact. energy: -0.660
local terms energy: -176.594932
where:
bonds (distance) C4'-P energy: -29.138
bonds (distance) P-C4' energy: -33.993
flat angles C4'-P-C4' energy: -33.972
flat angles P-C4'-P energy: -26.281
tors. eta vs tors. theta energy: -53.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -573.579166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.579166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.579166 (E_RNA)
where:
Base-Base interactions energy: -390.576
where: short stacking energy: -169.816
Base-Backbone interact. energy: -0.916
local terms energy: -182.087171
where:
bonds (distance) C4'-P energy: -35.659
bonds (distance) P-C4' energy: -34.135
flat angles C4'-P-C4' energy: -33.473
flat angles P-C4'-P energy: -31.629
tors. eta vs tors. theta energy: -47.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -555.904919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.904919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.904919 (E_RNA)
where:
Base-Base interactions energy: -387.641
where: short stacking energy: -152.520
Base-Backbone interact. energy: -0.951
local terms energy: -167.312843
where:
bonds (distance) C4'-P energy: -31.609
bonds (distance) P-C4' energy: -36.310
flat angles C4'-P-C4' energy: -31.359
flat angles P-C4'-P energy: -24.073
tors. eta vs tors. theta energy: -43.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -561.730670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.730670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.730670 (E_RNA)
where:
Base-Base interactions energy: -396.990
where: short stacking energy: -168.575
Base-Backbone interact. energy: -0.377
local terms energy: -164.363655
where:
bonds (distance) C4'-P energy: -30.145
bonds (distance) P-C4' energy: -31.245
flat angles C4'-P-C4' energy: -35.130
flat angles P-C4'-P energy: -19.038
tors. eta vs tors. theta energy: -48.805
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: 8
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -541.695496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.695496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.695496 (E_RNA)
where:
Base-Base interactions energy: -383.839
where: short stacking energy: -162.682
Base-Backbone interact. energy: -0.447
local terms energy: -157.409024
where:
bonds (distance) C4'-P energy: -29.163
bonds (distance) P-C4' energy: -29.212
flat angles C4'-P-C4' energy: -32.852
flat angles P-C4'-P energy: -20.057
tors. eta vs tors. theta energy: -46.126
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: 10
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -456.811667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.811667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.811667 (E_RNA)
where:
Base-Base interactions energy: -321.446
where: short stacking energy: -138.637
Base-Backbone interact. energy: 1.939
local terms energy: -137.304150
where:
bonds (distance) C4'-P energy: -27.547
bonds (distance) P-C4' energy: -34.540
flat angles C4'-P-C4' energy: -25.308
flat angles P-C4'-P energy: -14.212
tors. eta vs tors. theta energy: -35.697
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: 346
Temperature: 1.200000
Total energy: -508.715372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.715372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.715372 (E_RNA)
where:
Base-Base interactions energy: -342.504
where: short stacking energy: -157.782
Base-Backbone interact. energy: -0.147
local terms energy: -166.064202
where:
bonds (distance) C4'-P energy: -35.541
bonds (distance) P-C4' energy: -32.387
flat angles C4'-P-C4' energy: -32.891
flat angles P-C4'-P energy: -20.312
tors. eta vs tors. theta energy: -44.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -408.281099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.281099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.281099 (E_RNA)
where:
Base-Base interactions energy: -272.292
where: short stacking energy: -135.211
Base-Backbone interact. energy: -0.284
local terms energy: -135.705466
where:
bonds (distance) C4'-P energy: -21.197
bonds (distance) P-C4' energy: -30.584
flat angles C4'-P-C4' energy: -30.310
flat angles P-C4'-P energy: -21.258
tors. eta vs tors. theta energy: -32.356
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: 3
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -305.007752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.007752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.007752 (E_RNA)
where:
Base-Base interactions energy: -189.589
where: short stacking energy: -87.755
Base-Backbone interact. energy: -0.885
local terms energy: -114.533992
where:
bonds (distance) C4'-P energy: -25.436
bonds (distance) P-C4' energy: -31.707
flat angles C4'-P-C4' energy: -28.733
flat angles P-C4'-P energy: -17.547
tors. eta vs tors. theta energy: -11.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -306.111693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.111693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.111693 (E_RNA)
where:
Base-Base interactions energy: -195.064
where: short stacking energy: -104.181
Base-Backbone interact. energy: -0.185
local terms energy: -110.862909
where:
bonds (distance) C4'-P energy: -22.280
bonds (distance) P-C4' energy: -28.233
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -18.663
tors. eta vs tors. theta energy: -24.217
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: 5
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -599.673634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.673634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.673634 (E_RNA)
where:
Base-Base interactions energy: -422.530
where: short stacking energy: -183.024
Base-Backbone interact. energy: -0.307
local terms energy: -176.837549
where:
bonds (distance) C4'-P energy: -26.148
bonds (distance) P-C4' energy: -34.679
flat angles C4'-P-C4' energy: -37.033
flat angles P-C4'-P energy: -25.716
tors. eta vs tors. theta energy: -53.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -573.617109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.617109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.617109 (E_RNA)
where:
Base-Base interactions energy: -401.166
where: short stacking energy: -179.323
Base-Backbone interact. energy: -0.260
local terms energy: -172.190529
where:
bonds (distance) C4'-P energy: -29.982
bonds (distance) P-C4' energy: -31.939
flat angles C4'-P-C4' energy: -42.046
flat angles P-C4'-P energy: -19.499
tors. eta vs tors. theta energy: -48.724
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: 347
Temperature: 1.000000
Total energy: -545.011898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.011898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.011898 (E_RNA)
where:
Base-Base interactions energy: -381.503
where: short stacking energy: -154.970
Base-Backbone interact. energy: -0.541
local terms energy: -162.968009
where:
bonds (distance) C4'-P energy: -26.774
bonds (distance) P-C4' energy: -33.357
flat angles C4'-P-C4' energy: -31.953
flat angles P-C4'-P energy: -23.323
tors. eta vs tors. theta energy: -47.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -556.959977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.959977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.959977 (E_RNA)
where:
Base-Base interactions energy: -392.917
where: short stacking energy: -157.069
Base-Backbone interact. energy: -0.266
local terms energy: -163.777116
where:
bonds (distance) C4'-P energy: -27.952
bonds (distance) P-C4' energy: -31.598
flat angles C4'-P-C4' energy: -35.299
flat angles P-C4'-P energy: -20.941
tors. eta vs tors. theta energy: -47.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -542.425941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.425941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.425941 (E_RNA)
where:
Base-Base interactions energy: -379.590
where: short stacking energy: -160.216
Base-Backbone interact. energy: -2.062
local terms energy: -160.774003
where:
bonds (distance) C4'-P energy: -31.289
bonds (distance) P-C4' energy: -29.067
flat angles C4'-P-C4' energy: -35.671
flat angles P-C4'-P energy: -19.896
tors. eta vs tors. theta energy: -44.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -521.057163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.057163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.057163 (E_RNA)
where:
Base-Base interactions energy: -365.407
where: short stacking energy: -166.213
Base-Backbone interact. energy: -1.123
local terms energy: -154.527199
where:
bonds (distance) C4'-P energy: -22.948
bonds (distance) P-C4' energy: -33.092
flat angles C4'-P-C4' energy: -38.246
flat angles P-C4'-P energy: -14.400
tors. eta vs tors. theta energy: -45.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -426.643786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.643786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.643786 (E_RNA)
where:
Base-Base interactions energy: -282.307
where: short stacking energy: -122.829
Base-Backbone interact. energy: -0.977
local terms energy: -143.359642
where:
bonds (distance) C4'-P energy: -29.989
bonds (distance) P-C4' energy: -26.164
flat angles C4'-P-C4' energy: -31.740
flat angles P-C4'-P energy: -23.041
tors. eta vs tors. theta energy: -32.425
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: 8, replica: 4
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -385.474220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.474220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.474220 (E_RNA)
where:
Base-Base interactions energy: -254.834
where: short stacking energy: -118.532
Base-Backbone interact. energy: -0.883
local terms energy: -129.757383
where:
bonds (distance) C4'-P energy: -25.367
bonds (distance) P-C4' energy: -27.181
flat angles C4'-P-C4' energy: -36.228
flat angles P-C4'-P energy: -22.117
tors. eta vs tors. theta energy: -18.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -290.439357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.439357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.439357 (E_RNA)
where:
Base-Base interactions energy: -168.917
where: short stacking energy: -71.293
Base-Backbone interact. energy: -1.200
local terms energy: -120.322277
where:
bonds (distance) C4'-P energy: -24.318
bonds (distance) P-C4' energy: -35.941
flat angles C4'-P-C4' energy: -31.048
flat angles P-C4'-P energy: -15.738
tors. eta vs tors. theta energy: -13.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -309.976833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.976833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.976833 (E_RNA)
where:
Base-Base interactions energy: -186.826
where: short stacking energy: -94.511
Base-Backbone interact. energy: -0.325
local terms energy: -122.825104
where:
bonds (distance) C4'-P energy: -28.191
bonds (distance) P-C4' energy: -29.281
flat angles C4'-P-C4' energy: -25.082
flat angles P-C4'-P energy: -18.065
tors. eta vs tors. theta energy: -22.206
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: 5
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -589.838549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.838549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.838549 (E_RNA)
where:
Base-Base interactions energy: -412.431
where: short stacking energy: -189.190
Base-Backbone interact. energy: 0.071
local terms energy: -177.479334
where:
bonds (distance) C4'-P energy: -24.924
bonds (distance) P-C4' energy: -34.696
flat angles C4'-P-C4' energy: -37.140
flat angles P-C4'-P energy: -29.185
tors. eta vs tors. theta energy: -51.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -563.596812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.596812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.596812 (E_RNA)
where:
Base-Base interactions energy: -394.776
where: short stacking energy: -174.976
Base-Backbone interact. energy: -0.182
local terms energy: -168.638578
where:
bonds (distance) C4'-P energy: -30.757
bonds (distance) P-C4' energy: -35.722
flat angles C4'-P-C4' energy: -31.015
flat angles P-C4'-P energy: -27.577
tors. eta vs tors. theta energy: -43.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -560.503199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.503199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.503199 (E_RNA)
where:
Base-Base interactions energy: -393.382
where: short stacking energy: -161.829
Base-Backbone interact. energy: -1.277
local terms energy: -165.844220
where:
bonds (distance) C4'-P energy: -34.129
bonds (distance) P-C4' energy: -25.468
flat angles C4'-P-C4' energy: -33.281
flat angles P-C4'-P energy: -26.087
tors. eta vs tors. theta energy: -46.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -534.924723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.924723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.924723 (E_RNA)
where:
Base-Base interactions energy: -370.766
where: short stacking energy: -145.329
Base-Backbone interact. energy: 0.147
local terms energy: -164.305621
where:
bonds (distance) C4'-P energy: -32.421
bonds (distance) P-C4' energy: -30.878
flat angles C4'-P-C4' energy: -35.068
flat angles P-C4'-P energy: -28.420
tors. eta vs tors. theta energy: -37.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -521.137431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.137431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.137431 (E_RNA)
where:
Base-Base interactions energy: -368.946
where: short stacking energy: -167.217
Base-Backbone interact. energy: -0.015
local terms energy: -152.175697
where:
bonds (distance) C4'-P energy: -25.697
bonds (distance) P-C4' energy: -23.190
flat angles C4'-P-C4' energy: -35.172
flat angles P-C4'-P energy: -19.125
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: 6, replica: 8
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -523.184836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.184836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.184836 (E_RNA)
where:
Base-Base interactions energy: -369.639
where: short stacking energy: -155.155
Base-Backbone interact. energy: -0.645
local terms energy: -152.900274
where:
bonds (distance) C4'-P energy: -24.052
bonds (distance) P-C4' energy: -35.945
flat angles C4'-P-C4' energy: -30.840
flat angles P-C4'-P energy: -18.373
tors. eta vs tors. theta energy: -43.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -398.546878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.546878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.546878 (E_RNA)
where:
Base-Base interactions energy: -271.587
where: short stacking energy: -114.448
Base-Backbone interact. energy: -1.090
local terms energy: -125.870068
where:
bonds (distance) C4'-P energy: -24.975
bonds (distance) P-C4' energy: -21.857
flat angles C4'-P-C4' energy: -35.686
flat angles P-C4'-P energy: -18.708
tors. eta vs tors. theta energy: -24.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -420.907765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.907765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.907765 (E_RNA)
where:
Base-Base interactions energy: -298.614
where: short stacking energy: -131.216
Base-Backbone interact. energy: -0.301
local terms energy: -121.992439
where:
bonds (distance) C4'-P energy: -29.408
bonds (distance) P-C4' energy: -18.695
flat angles C4'-P-C4' energy: -31.133
flat angles P-C4'-P energy: -13.883
tors. eta vs tors. theta energy: -28.874
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: 1
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -296.160344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.160344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.160344 (E_RNA)
where:
Base-Base interactions energy: -183.511
where: short stacking energy: -93.104
Base-Backbone interact. energy: 0.832
local terms energy: -113.481576
where:
bonds (distance) C4'-P energy: -28.467
bonds (distance) P-C4' energy: -21.345
flat angles C4'-P-C4' energy: -25.149
flat angles P-C4'-P energy: -23.467
tors. eta vs tors. theta energy: -15.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -282.849798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.849798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.849798 (E_RNA)
where:
Base-Base interactions energy: -174.084
where: short stacking energy: -94.122
Base-Backbone interact. energy: -0.613
local terms energy: -108.152212
where:
bonds (distance) C4'-P energy: -22.167
bonds (distance) P-C4' energy: -29.310
flat angles C4'-P-C4' energy: -32.210
flat angles P-C4'-P energy: -17.370
tors. eta vs tors. theta energy: -7.096
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: 5
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -594.701508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.701508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.701508 (E_RNA)
where:
Base-Base interactions energy: -408.702
where: short stacking energy: -189.365
Base-Backbone interact. energy: -0.175
local terms energy: -185.824681
where:
bonds (distance) C4'-P energy: -35.856
bonds (distance) P-C4' energy: -33.147
flat angles C4'-P-C4' energy: -33.723
flat angles P-C4'-P energy: -30.203
tors. eta vs tors. theta energy: -52.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -574.532888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.532888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.532888 (E_RNA)
where:
Base-Base interactions energy: -405.403
where: short stacking energy: -170.058
Base-Backbone interact. energy: -0.503
local terms energy: -168.626415
where:
bonds (distance) C4'-P energy: -32.355
bonds (distance) P-C4' energy: -25.759
flat angles C4'-P-C4' energy: -37.380
flat angles P-C4'-P energy: -23.402
tors. eta vs tors. theta energy: -49.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -544.421277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.421277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.421277 (E_RNA)
where:
Base-Base interactions energy: -368.941
where: short stacking energy: -161.528
Base-Backbone interact. energy: -0.250
local terms energy: -175.230557
where:
bonds (distance) C4'-P energy: -36.649
bonds (distance) P-C4' energy: -37.723
flat angles C4'-P-C4' energy: -38.118
flat angles P-C4'-P energy: -20.783
tors. eta vs tors. theta energy: -41.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -543.885718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.885718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.885718 (E_RNA)
where:
Base-Base interactions energy: -381.420
where: short stacking energy: -159.758
Base-Backbone interact. energy: -0.745
local terms energy: -161.721266
where:
bonds (distance) C4'-P energy: -25.454
bonds (distance) P-C4' energy: -36.326
flat angles C4'-P-C4' energy: -29.545
flat angles P-C4'-P energy: -20.904
tors. eta vs tors. theta energy: -49.492
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: 6
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -535.376158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.376158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.376158 (E_RNA)
where:
Base-Base interactions energy: -372.455
where: short stacking energy: -174.848
Base-Backbone interact. energy: -0.206
local terms energy: -162.715734
where:
bonds (distance) C4'-P energy: -31.995
bonds (distance) P-C4' energy: -25.006
flat angles C4'-P-C4' energy: -35.298
flat angles P-C4'-P energy: -21.547
tors. eta vs tors. theta energy: -48.870
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: 8
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -530.888794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.888794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.888794 (E_RNA)
where:
Base-Base interactions energy: -370.550
where: short stacking energy: -158.097
Base-Backbone interact. energy: -1.135
local terms energy: -159.203802
where:
bonds (distance) C4'-P energy: -29.327
bonds (distance) P-C4' energy: -26.490
flat angles C4'-P-C4' energy: -32.562
flat angles P-C4'-P energy: -26.076
tors. eta vs tors. theta energy: -44.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -418.136710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.136710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.136710 (E_RNA)
where:
Base-Base interactions energy: -285.760
where: short stacking energy: -120.689
Base-Backbone interact. energy: -1.846
local terms energy: -130.530660
where:
bonds (distance) C4'-P energy: -23.845
bonds (distance) P-C4' energy: -29.936
flat angles C4'-P-C4' energy: -31.059
flat angles P-C4'-P energy: -19.076
tors. eta vs tors. theta energy: -26.614
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: 8, replica: 10
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -441.340296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.340296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.340296 (E_RNA)
where:
Base-Base interactions energy: -312.370
where: short stacking energy: -138.496
Base-Backbone interact. energy: 0.353
local terms energy: -129.322727
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -31.825
flat angles C4'-P-C4' energy: -32.802
flat angles P-C4'-P energy: -13.842
tors. eta vs tors. theta energy: -34.933
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: 1
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -340.714139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.714139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.714139 (E_RNA)
where:
Base-Base interactions energy: -208.654
where: short stacking energy: -127.983
Base-Backbone interact. energy: -0.289
local terms energy: -131.770671
where:
bonds (distance) C4'-P energy: -26.604
bonds (distance) P-C4' energy: -27.540
flat angles C4'-P-C4' energy: -34.397
flat angles P-C4'-P energy: -20.885
tors. eta vs tors. theta energy: -22.346
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: 3
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -287.459162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.459162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.459162 (E_RNA)
where:
Base-Base interactions energy: -180.065
where: short stacking energy: -87.477
Base-Backbone interact. energy: -0.643
local terms energy: -106.751115
where:
bonds (distance) C4'-P energy: -22.959
bonds (distance) P-C4' energy: -28.662
flat angles C4'-P-C4' energy: -27.491
flat angles P-C4'-P energy: -17.843
tors. eta vs tors. theta energy: -9.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -602.072550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.072550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.072550 (E_RNA)
where:
Base-Base interactions energy: -423.228
where: short stacking energy: -189.170
Base-Backbone interact. energy: -0.054
local terms energy: -178.790719
where:
bonds (distance) C4'-P energy: -29.249
bonds (distance) P-C4' energy: -36.361
flat angles C4'-P-C4' energy: -37.065
flat angles P-C4'-P energy: -24.790
tors. eta vs tors. theta energy: -51.325
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: 9
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -562.761996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.761996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.761996 (E_RNA)
where:
Base-Base interactions energy: -389.250
where: short stacking energy: -167.181
Base-Backbone interact. energy: -0.080
local terms energy: -173.432395
where:
bonds (distance) C4'-P energy: -27.059
bonds (distance) P-C4' energy: -34.091
flat angles C4'-P-C4' energy: -35.445
flat angles P-C4'-P energy: -28.700
tors. eta vs tors. theta energy: -48.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -557.886077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.886077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.886077 (E_RNA)
where:
Base-Base interactions energy: -386.687
where: short stacking energy: -164.268
Base-Backbone interact. energy: -0.140
local terms energy: -171.058870
where:
bonds (distance) C4'-P energy: -35.475
bonds (distance) P-C4' energy: -32.738
flat angles C4'-P-C4' energy: -37.211
flat angles P-C4'-P energy: -22.256
tors. eta vs tors. theta energy: -43.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -549.631829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.631829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.631829 (E_RNA)
where:
Base-Base interactions energy: -398.735
where: short stacking energy: -151.866
Base-Backbone interact. energy: -0.126
local terms energy: -150.771364
where:
bonds (distance) C4'-P energy: -30.254
bonds (distance) P-C4' energy: -30.997
flat angles C4'-P-C4' energy: -32.452
flat angles P-C4'-P energy: -16.683
tors. eta vs tors. theta energy: -40.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -533.540890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.540890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.540890 (E_RNA)
where:
Base-Base interactions energy: -379.187
where: short stacking energy: -151.762
Base-Backbone interact. energy: -1.145
local terms energy: -153.209195
where:
bonds (distance) C4'-P energy: -30.148
bonds (distance) P-C4' energy: -28.191
flat angles C4'-P-C4' energy: -30.321
flat angles P-C4'-P energy: -20.978
tors. eta vs tors. theta energy: -43.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -509.765420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.765420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.765420 (E_RNA)
where:
Base-Base interactions energy: -356.757
where: short stacking energy: -153.614
Base-Backbone interact. energy: -0.638
local terms energy: -152.369910
where:
bonds (distance) C4'-P energy: -21.351
bonds (distance) P-C4' energy: -28.602
flat angles C4'-P-C4' energy: -33.656
flat angles P-C4'-P energy: -21.706
tors. eta vs tors. theta energy: -47.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -421.615858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.615858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.615858 (E_RNA)
where:
Base-Base interactions energy: -287.793
where: short stacking energy: -111.802
Base-Backbone interact. energy: -0.358
local terms energy: -133.464785
where:
bonds (distance) C4'-P energy: -23.461
bonds (distance) P-C4' energy: -27.052
flat angles C4'-P-C4' energy: -31.273
flat angles P-C4'-P energy: -21.896
tors. eta vs tors. theta energy: -29.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -458.367812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.367812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.367812 (E_RNA)
where:
Base-Base interactions energy: -311.393
where: short stacking energy: -140.328
Base-Backbone interact. energy: -0.270
local terms energy: -146.703936
where:
bonds (distance) C4'-P energy: -24.766
bonds (distance) P-C4' energy: -32.501
flat angles C4'-P-C4' energy: -34.317
flat angles P-C4'-P energy: -20.215
tors. eta vs tors. theta energy: -34.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -316.224224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.224224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.224224 (E_RNA)
where:
Base-Base interactions energy: -179.777
where: short stacking energy: -91.053
Base-Backbone interact. energy: -0.080
local terms energy: -136.367071
where:
bonds (distance) C4'-P energy: -26.833
bonds (distance) P-C4' energy: -32.360
flat angles C4'-P-C4' energy: -37.032
flat angles P-C4'-P energy: -15.652
tors. eta vs tors. theta energy: -24.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -313.141943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.141943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.141943 (E_RNA)
where:
Base-Base interactions energy: -198.655
where: short stacking energy: -96.363
Base-Backbone interact. energy: 0.556
local terms energy: -115.043006
where:
bonds (distance) C4'-P energy: -28.526
bonds (distance) P-C4' energy: -28.817
flat angles C4'-P-C4' energy: -21.734
flat angles P-C4'-P energy: -16.962
tors. eta vs tors. theta energy: -19.004
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: 1, replica: 5
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -588.485120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.485120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.485120 (E_RNA)
where:
Base-Base interactions energy: -417.261
where: short stacking energy: -184.615
Base-Backbone interact. energy: -0.513
local terms energy: -170.710690
where:
bonds (distance) C4'-P energy: -25.238
bonds (distance) P-C4' energy: -35.686
flat angles C4'-P-C4' energy: -31.435
flat angles P-C4'-P energy: -26.489
tors. eta vs tors. theta energy: -51.862
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: 9
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -575.292834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.292834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.292834 (E_RNA)
where:
Base-Base interactions energy: -401.813
where: short stacking energy: -174.888
Base-Backbone interact. energy: -0.887
local terms energy: -172.592743
where:
bonds (distance) C4'-P energy: -35.781
bonds (distance) P-C4' energy: -29.338
flat angles C4'-P-C4' energy: -34.384
flat angles P-C4'-P energy: -26.226
tors. eta vs tors. theta energy: -46.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -560.231832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.231832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.231832 (E_RNA)
where:
Base-Base interactions energy: -390.031
where: short stacking energy: -172.914
Base-Backbone interact. energy: -1.151
local terms energy: -169.050006
where:
bonds (distance) C4'-P energy: -32.058
bonds (distance) P-C4' energy: -33.487
flat angles C4'-P-C4' energy: -38.233
flat angles P-C4'-P energy: -21.105
tors. eta vs tors. theta energy: -44.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -544.761822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.761822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.761822 (E_RNA)
where:
Base-Base interactions energy: -389.210
where: short stacking energy: -154.405
Base-Backbone interact. energy: 0.124
local terms energy: -155.675167
where:
bonds (distance) C4'-P energy: -23.631
bonds (distance) P-C4' energy: -32.594
flat angles C4'-P-C4' energy: -35.339
flat angles P-C4'-P energy: -21.337
tors. eta vs tors. theta energy: -42.775
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: 7
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -543.207063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.207063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.207063 (E_RNA)
where:
Base-Base interactions energy: -382.999
where: short stacking energy: -152.830
Base-Backbone interact. energy: -0.650
local terms energy: -159.558335
where:
bonds (distance) C4'-P energy: -30.561
bonds (distance) P-C4' energy: -30.579
flat angles C4'-P-C4' energy: -31.820
flat angles P-C4'-P energy: -24.499
tors. eta vs tors. theta energy: -42.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -439.351043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.351043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.351043 (E_RNA)
where:
Base-Base interactions energy: -297.228
where: short stacking energy: -131.173
Base-Backbone interact. energy: -1.036
local terms energy: -141.087335
where:
bonds (distance) C4'-P energy: -26.370
bonds (distance) P-C4' energy: -27.195
flat angles C4'-P-C4' energy: -30.990
flat angles P-C4'-P energy: -19.198
tors. eta vs tors. theta energy: -37.335
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: 351
Temperature: 1.200000
Total energy: -511.756843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.756843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.756843 (E_RNA)
where:
Base-Base interactions energy: -357.346
where: short stacking energy: -161.597
Base-Backbone interact. energy: -0.098
local terms energy: -154.313566
where:
bonds (distance) C4'-P energy: -27.601
bonds (distance) P-C4' energy: -24.802
flat angles C4'-P-C4' energy: -33.961
flat angles P-C4'-P energy: -18.356
tors. eta vs tors. theta energy: -49.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -464.824169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.824169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.824169 (E_RNA)
where:
Base-Base interactions energy: -316.102
where: short stacking energy: -133.815
Base-Backbone interact. energy: -1.700
local terms energy: -147.022316
where:
bonds (distance) C4'-P energy: -34.890
bonds (distance) P-C4' energy: -29.579
flat angles C4'-P-C4' energy: -31.395
flat angles P-C4'-P energy: -17.833
tors. eta vs tors. theta energy: -33.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -342.347841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.347841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.347841 (E_RNA)
where:
Base-Base interactions energy: -229.347
where: short stacking energy: -110.181
Base-Backbone interact. energy: -0.666
local terms energy: -112.334878
where:
bonds (distance) C4'-P energy: -22.344
bonds (distance) P-C4' energy: -24.443
flat angles C4'-P-C4' energy: -33.227
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -21.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -293.897333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.897333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.897333 (E_RNA)
where:
Base-Base interactions energy: -169.927
where: short stacking energy: -88.144
Base-Backbone interact. energy: -0.090
local terms energy: -123.880836
where:
bonds (distance) C4'-P energy: -27.857
bonds (distance) P-C4' energy: -30.057
flat angles C4'-P-C4' energy: -27.060
flat angles P-C4'-P energy: -21.034
tors. eta vs tors. theta energy: -17.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -601.869913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.869913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.869913 (E_RNA)
where:
Base-Base interactions energy: -422.566
where: short stacking energy: -189.743
Base-Backbone interact. energy: -0.399
local terms energy: -178.905452
where:
bonds (distance) C4'-P energy: -33.839
bonds (distance) P-C4' energy: -32.977
flat angles C4'-P-C4' energy: -32.676
flat angles P-C4'-P energy: -29.130
tors. eta vs tors. theta energy: -50.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -581.568450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.568450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.568450 (E_RNA)
where:
Base-Base interactions energy: -411.645
where: short stacking energy: -183.133
Base-Backbone interact. energy: -0.275
local terms energy: -169.648444
where:
bonds (distance) C4'-P energy: -29.652
bonds (distance) P-C4' energy: -31.854
flat angles C4'-P-C4' energy: -35.588
flat angles P-C4'-P energy: -23.297
tors. eta vs tors. theta energy: -49.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -541.657803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.657803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.657803 (E_RNA)
where:
Base-Base interactions energy: -383.901
where: short stacking energy: -167.300
Base-Backbone interact. energy: 1.480
local terms energy: -159.237003
where:
bonds (distance) C4'-P energy: -24.390
bonds (distance) P-C4' energy: -29.998
flat angles C4'-P-C4' energy: -35.980
flat angles P-C4'-P energy: -26.698
tors. eta vs tors. theta energy: -42.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -540.105063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.105063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.105063 (E_RNA)
where:
Base-Base interactions energy: -368.078
where: short stacking energy: -161.307
Base-Backbone interact. energy: -0.607
local terms energy: -171.420219
where:
bonds (distance) C4'-P energy: -23.852
bonds (distance) P-C4' energy: -34.847
flat angles C4'-P-C4' energy: -37.491
flat angles P-C4'-P energy: -25.631
tors. eta vs tors. theta energy: -49.600
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: 7
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -516.595789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.595789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.595789 (E_RNA)
where:
Base-Base interactions energy: -363.832
where: short stacking energy: -153.886
Base-Backbone interact. energy: -1.048
local terms energy: -151.715437
where:
bonds (distance) C4'-P energy: -22.772
bonds (distance) P-C4' energy: -30.117
flat angles C4'-P-C4' energy: -34.039
flat angles P-C4'-P energy: -24.775
tors. eta vs tors. theta energy: -40.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -466.042064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.042064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.042064 (E_RNA)
where:
Base-Base interactions energy: -321.013
where: short stacking energy: -147.867
Base-Backbone interact. energy: 0.034
local terms energy: -145.063185
where:
bonds (distance) C4'-P energy: -25.950
bonds (distance) P-C4' energy: -22.796
flat angles C4'-P-C4' energy: -32.342
flat angles P-C4'-P energy: -24.861
tors. eta vs tors. theta energy: -39.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -507.917540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.917540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.917540 (E_RNA)
where:
Base-Base interactions energy: -346.297
where: short stacking energy: -163.483
Base-Backbone interact. energy: -0.462
local terms energy: -161.158756
where:
bonds (distance) C4'-P energy: -21.715
bonds (distance) P-C4' energy: -32.532
flat angles C4'-P-C4' energy: -36.925
flat angles P-C4'-P energy: -23.284
tors. eta vs tors. theta energy: -46.704
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: 4
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -436.996773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.996773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.996773 (E_RNA)
where:
Base-Base interactions energy: -299.529
where: short stacking energy: -122.570
Base-Backbone interact. energy: -0.134
local terms energy: -137.333484
where:
bonds (distance) C4'-P energy: -27.088
bonds (distance) P-C4' energy: -30.028
flat angles C4'-P-C4' energy: -33.198
flat angles P-C4'-P energy: -14.131
tors. eta vs tors. theta energy: -32.888
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: 3
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -343.045340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.045340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.045340 (E_RNA)
where:
Base-Base interactions energy: -220.861
where: short stacking energy: -104.020
Base-Backbone interact. energy: -0.484
local terms energy: -121.699926
where:
bonds (distance) C4'-P energy: -25.611
bonds (distance) P-C4' energy: -23.174
flat angles C4'-P-C4' energy: -32.548
flat angles P-C4'-P energy: -25.118
tors. eta vs tors. theta energy: -15.249
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: 1
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -331.870742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.870742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.870742 (E_RNA)
where:
Base-Base interactions energy: -223.531
where: short stacking energy: -111.141
Base-Backbone interact. energy: 0.579
local terms energy: -108.918936
where:
bonds (distance) C4'-P energy: -26.641
bonds (distance) P-C4' energy: -23.164
flat angles C4'-P-C4' energy: -19.617
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -28.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -572.546529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.546529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.546529 (E_RNA)
where:
Base-Base interactions energy: -398.949
where: short stacking energy: -184.447
Base-Backbone interact. energy: -0.235
local terms energy: -173.363244
where:
bonds (distance) C4'-P energy: -29.278
bonds (distance) P-C4' energy: -32.395
flat angles C4'-P-C4' energy: -36.815
flat angles P-C4'-P energy: -24.981
tors. eta vs tors. theta energy: -49.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -590.396683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.396683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.396683 (E_RNA)
where:
Base-Base interactions energy: -421.467
where: short stacking energy: -171.714
Base-Backbone interact. energy: -0.161
local terms energy: -168.768395
where:
bonds (distance) C4'-P energy: -33.766
bonds (distance) P-C4' energy: -36.422
flat angles C4'-P-C4' energy: -30.434
flat angles P-C4'-P energy: -15.675
tors. eta vs tors. theta energy: -52.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -540.804271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.804271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.804271 (E_RNA)
where:
Base-Base interactions energy: -371.495
where: short stacking energy: -158.555
Base-Backbone interact. energy: 0.278
local terms energy: -169.587236
where:
bonds (distance) C4'-P energy: -28.652
bonds (distance) P-C4' energy: -34.289
flat angles C4'-P-C4' energy: -39.057
flat angles P-C4'-P energy: -24.155
tors. eta vs tors. theta energy: -43.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -541.746331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.746331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.746331 (E_RNA)
where:
Base-Base interactions energy: -366.927
where: short stacking energy: -149.383
Base-Backbone interact. energy: -1.421
local terms energy: -173.398111
where:
bonds (distance) C4'-P energy: -33.442
bonds (distance) P-C4' energy: -34.890
flat angles C4'-P-C4' energy: -36.585
flat angles P-C4'-P energy: -25.321
tors. eta vs tors. theta energy: -43.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -534.816828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.816828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.816828 (E_RNA)
where:
Base-Base interactions energy: -369.950
where: short stacking energy: -160.967
Base-Backbone interact. energy: -0.612
local terms energy: -164.254293
where:
bonds (distance) C4'-P energy: -28.226
bonds (distance) P-C4' energy: -30.887
flat angles C4'-P-C4' energy: -37.383
flat angles P-C4'-P energy: -26.426
tors. eta vs tors. theta energy: -41.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -508.042347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.042347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.042347 (E_RNA)
where:
Base-Base interactions energy: -350.248
where: short stacking energy: -147.104
Base-Backbone interact. energy: -0.521
local terms energy: -157.273917
where:
bonds (distance) C4'-P energy: -34.405
bonds (distance) P-C4' energy: -21.788
flat angles C4'-P-C4' energy: -30.782
flat angles P-C4'-P energy: -29.592
tors. eta vs tors. theta energy: -40.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -445.217885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.217885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.217885 (E_RNA)
where:
Base-Base interactions energy: -312.181
where: short stacking energy: -132.705
Base-Backbone interact. energy: -0.161
local terms energy: -132.875250
where:
bonds (distance) C4'-P energy: -25.232
bonds (distance) P-C4' energy: -19.917
flat angles C4'-P-C4' energy: -28.554
flat angles P-C4'-P energy: -23.922
tors. eta vs tors. theta energy: -35.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -429.840355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.840355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.840355 (E_RNA)
where:
Base-Base interactions energy: -295.813
where: short stacking energy: -137.283
Base-Backbone interact. energy: -1.414
local terms energy: -132.613542
where:
bonds (distance) C4'-P energy: -26.373
bonds (distance) P-C4' energy: -21.976
flat angles C4'-P-C4' energy: -29.596
flat angles P-C4'-P energy: -20.637
tors. eta vs tors. theta energy: -34.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -402.351852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.351852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.351852 (E_RNA)
where:
Base-Base interactions energy: -263.632
where: short stacking energy: -124.276
Base-Backbone interact. energy: -0.314
local terms energy: -138.405503
where:
bonds (distance) C4'-P energy: -25.962
bonds (distance) P-C4' energy: -33.515
flat angles C4'-P-C4' energy: -33.420
flat angles P-C4'-P energy: -22.412
tors. eta vs tors. theta energy: -23.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -385.210792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.210792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.210792 (E_RNA)
where:
Base-Base interactions energy: -247.239
where: short stacking energy: -118.148
Base-Backbone interact. energy: -0.336
local terms energy: -137.635747
where:
bonds (distance) C4'-P energy: -26.858
bonds (distance) P-C4' energy: -30.188
flat angles C4'-P-C4' energy: -31.157
flat angles P-C4'-P energy: -15.149
tors. eta vs tors. theta energy: -34.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -588.082657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.082657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.082657 (E_RNA)
where:
Base-Base interactions energy: -411.942
where: short stacking energy: -170.718
Base-Backbone interact. energy: -0.091
local terms energy: -176.049348
where:
bonds (distance) C4'-P energy: -31.935
bonds (distance) P-C4' energy: -31.504
flat angles C4'-P-C4' energy: -35.205
flat angles P-C4'-P energy: -22.867
tors. eta vs tors. theta energy: -54.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -574.382696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.382696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.382696 (E_RNA)
where:
Base-Base interactions energy: -403.203
where: short stacking energy: -179.141
Base-Backbone interact. energy: -0.026
local terms energy: -171.154227
where:
bonds (distance) C4'-P energy: -27.926
bonds (distance) P-C4' energy: -29.602
flat angles C4'-P-C4' energy: -35.329
flat angles P-C4'-P energy: -26.794
tors. eta vs tors. theta energy: -51.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -558.258005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.258005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.258005 (E_RNA)
where:
Base-Base interactions energy: -385.192
where: short stacking energy: -158.657
Base-Backbone interact. energy: -0.056
local terms energy: -173.009137
where:
bonds (distance) C4'-P energy: -31.359
bonds (distance) P-C4' energy: -28.900
flat angles C4'-P-C4' energy: -36.060
flat angles P-C4'-P energy: -29.398
tors. eta vs tors. theta energy: -47.292
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: 7
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -528.634025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.634025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.634025 (E_RNA)
where:
Base-Base interactions energy: -379.378
where: short stacking energy: -155.717
Base-Backbone interact. energy: -0.481
local terms energy: -148.775597
where:
bonds (distance) C4'-P energy: -21.346
bonds (distance) P-C4' energy: -30.088
flat angles C4'-P-C4' energy: -33.603
flat angles P-C4'-P energy: -21.684
tors. eta vs tors. theta energy: -42.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -513.128918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.128918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.128918 (E_RNA)
where:
Base-Base interactions energy: -356.501
where: short stacking energy: -156.994
Base-Backbone interact. energy: -0.390
local terms energy: -156.238065
where:
bonds (distance) C4'-P energy: -29.571
bonds (distance) P-C4' energy: -30.762
flat angles C4'-P-C4' energy: -29.441
flat angles P-C4'-P energy: -22.270
tors. eta vs tors. theta energy: -44.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -523.592545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.592545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.592545 (E_RNA)
where:
Base-Base interactions energy: -368.193
where: short stacking energy: -164.453
Base-Backbone interact. energy: -0.327
local terms energy: -155.072930
where:
bonds (distance) C4'-P energy: -27.142
bonds (distance) P-C4' energy: -30.980
flat angles C4'-P-C4' energy: -28.921
flat angles P-C4'-P energy: -22.439
tors. eta vs tors. theta energy: -45.592
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: 4
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -458.142579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.142579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.142579 (E_RNA)
where:
Base-Base interactions energy: -321.184
where: short stacking energy: -147.136
Base-Backbone interact. energy: -1.185
local terms energy: -135.773589
where:
bonds (distance) C4'-P energy: -28.815
bonds (distance) P-C4' energy: -26.381
flat angles C4'-P-C4' energy: -27.958
flat angles P-C4'-P energy: -21.883
tors. eta vs tors. theta energy: -30.736
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: 354
Temperature: 1.250000
Total energy: -438.979071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.979071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.979071 (E_RNA)
where:
Base-Base interactions energy: -287.470
where: short stacking energy: -127.843
Base-Backbone interact. energy: 4.526
local terms energy: -156.034824
where:
bonds (distance) C4'-P energy: -26.447
bonds (distance) P-C4' energy: -37.943
flat angles C4'-P-C4' energy: -34.475
flat angles P-C4'-P energy: -21.922
tors. eta vs tors. theta energy: -35.248
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: 1
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -359.498615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.498615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.498615 (E_RNA)
where:
Base-Base interactions energy: -233.974
where: short stacking energy: -112.404
Base-Backbone interact. energy: -0.310
local terms energy: -125.214494
where:
bonds (distance) C4'-P energy: -30.181
bonds (distance) P-C4' energy: -27.754
flat angles C4'-P-C4' energy: -27.033
flat angles P-C4'-P energy: -15.028
tors. eta vs tors. theta energy: -25.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -352.466320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.466320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.466320 (E_RNA)
where:
Base-Base interactions energy: -239.211
where: short stacking energy: -109.423
Base-Backbone interact. energy: -0.196
local terms energy: -113.059947
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -27.366
flat angles C4'-P-C4' energy: -24.053
flat angles P-C4'-P energy: -20.488
tors. eta vs tors. theta energy: -24.664
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: 1, replica: 9
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -579.355358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.355358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.355358 (E_RNA)
where:
Base-Base interactions energy: -413.100
where: short stacking energy: -174.742
Base-Backbone interact. energy: -1.282
local terms energy: -164.972881
where:
bonds (distance) C4'-P energy: -29.968
bonds (distance) P-C4' energy: -33.139
flat angles C4'-P-C4' energy: -35.487
flat angles P-C4'-P energy: -18.600
tors. eta vs tors. theta energy: -47.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -584.118745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.118745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.118745 (E_RNA)
where:
Base-Base interactions energy: -411.597
where: short stacking energy: -189.206
Base-Backbone interact. energy: -0.619
local terms energy: -171.902232
where:
bonds (distance) C4'-P energy: -29.244
bonds (distance) P-C4' energy: -30.684
flat angles C4'-P-C4' energy: -34.015
flat angles P-C4'-P energy: -28.094
tors. eta vs tors. theta energy: -49.866
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: 8
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -550.340524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.340524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.340524 (E_RNA)
where:
Base-Base interactions energy: -381.520
where: short stacking energy: -162.432
Base-Backbone interact. energy: -1.570
local terms energy: -167.251005
where:
bonds (distance) C4'-P energy: -32.532
bonds (distance) P-C4' energy: -27.294
flat angles C4'-P-C4' energy: -32.673
flat angles P-C4'-P energy: -28.741
tors. eta vs tors. theta energy: -46.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -539.760068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.760068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.760068 (E_RNA)
where:
Base-Base interactions energy: -386.364
where: short stacking energy: -153.261
Base-Backbone interact. energy: -0.810
local terms energy: -152.586199
where:
bonds (distance) C4'-P energy: -31.461
bonds (distance) P-C4' energy: -32.320
flat angles C4'-P-C4' energy: -30.864
flat angles P-C4'-P energy: -14.835
tors. eta vs tors. theta energy: -43.106
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: 5, replica: 6
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -527.071680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.071680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.071680 (E_RNA)
where:
Base-Base interactions energy: -361.898
where: short stacking energy: -166.514
Base-Backbone interact. energy: -0.641
local terms energy: -164.532866
where:
bonds (distance) C4'-P energy: -30.214
bonds (distance) P-C4' energy: -37.046
flat angles C4'-P-C4' energy: -34.289
flat angles P-C4'-P energy: -21.646
tors. eta vs tors. theta energy: -41.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -534.902274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.902274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.902274 (E_RNA)
where:
Base-Base interactions energy: -367.523
where: short stacking energy: -162.778
Base-Backbone interact. energy: -0.204
local terms energy: -167.174745
where:
bonds (distance) C4'-P energy: -33.001
bonds (distance) P-C4' energy: -34.528
flat angles C4'-P-C4' energy: -31.168
flat angles P-C4'-P energy: -22.145
tors. eta vs tors. theta energy: -46.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -449.586555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.586555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.586555 (E_RNA)
where:
Base-Base interactions energy: -312.926
where: short stacking energy: -134.115
Base-Backbone interact. energy: -2.349
local terms energy: -134.311710
where:
bonds (distance) C4'-P energy: -24.034
bonds (distance) P-C4' energy: -28.384
flat angles C4'-P-C4' energy: -30.766
flat angles P-C4'-P energy: -19.049
tors. eta vs tors. theta energy: -32.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -412.573928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.573928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.573928 (E_RNA)
where:
Base-Base interactions energy: -268.627
where: short stacking energy: -100.414
Base-Backbone interact. energy: 2.749
local terms energy: -146.695526
where:
bonds (distance) C4'-P energy: -29.700
bonds (distance) P-C4' energy: -35.298
flat angles C4'-P-C4' energy: -32.129
flat angles P-C4'-P energy: -14.969
tors. eta vs tors. theta energy: -34.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -329.688490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.688490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.688490 (E_RNA)
where:
Base-Base interactions energy: -219.257
where: short stacking energy: -101.963
Base-Backbone interact. energy: 1.239
local terms energy: -111.671156
where:
bonds (distance) C4'-P energy: -27.730
bonds (distance) P-C4' energy: -33.373
flat angles C4'-P-C4' energy: -22.652
flat angles P-C4'-P energy: -16.474
tors. eta vs tors. theta energy: -11.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -355.858226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.858226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.858226 (E_RNA)
where:
Base-Base interactions energy: -229.718
where: short stacking energy: -99.676
Base-Backbone interact. energy: -0.846
local terms energy: -125.294618
where:
bonds (distance) C4'-P energy: -27.683
bonds (distance) P-C4' energy: -18.666
flat angles C4'-P-C4' energy: -27.166
flat angles P-C4'-P energy: -25.200
tors. eta vs tors. theta energy: -26.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -588.828046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.828046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.828046 (E_RNA)
where:
Base-Base interactions energy: -411.312
where: short stacking energy: -178.402
Base-Backbone interact. energy: -0.793
local terms energy: -176.723127
where:
bonds (distance) C4'-P energy: -29.803
bonds (distance) P-C4' energy: -33.506
flat angles C4'-P-C4' energy: -33.003
flat angles P-C4'-P energy: -26.666
tors. eta vs tors. theta energy: -53.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -579.519088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.519088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.519088 (E_RNA)
where:
Base-Base interactions energy: -408.175
where: short stacking energy: -173.689
Base-Backbone interact. energy: -0.063
local terms energy: -171.281059
where:
bonds (distance) C4'-P energy: -34.889
bonds (distance) P-C4' energy: -28.399
flat angles C4'-P-C4' energy: -32.884
flat angles P-C4'-P energy: -26.170
tors. eta vs tors. theta energy: -48.939
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: 8
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -551.548621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.548621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.548621 (E_RNA)
where:
Base-Base interactions energy: -386.741
where: short stacking energy: -162.200
Base-Backbone interact. energy: -1.056
local terms energy: -163.752382
where:
bonds (distance) C4'-P energy: -35.534
bonds (distance) P-C4' energy: -31.025
flat angles C4'-P-C4' energy: -33.535
flat angles P-C4'-P energy: -19.464
tors. eta vs tors. theta energy: -44.194
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: 7
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -543.252933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.252933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.252933 (E_RNA)
where:
Base-Base interactions energy: -385.518
where: short stacking energy: -159.178
Base-Backbone interact. energy: -2.209
local terms energy: -155.525812
where:
bonds (distance) C4'-P energy: -26.878
bonds (distance) P-C4' energy: -34.781
flat angles C4'-P-C4' energy: -25.559
flat angles P-C4'-P energy: -22.861
tors. eta vs tors. theta energy: -45.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -518.199382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.199382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.199382 (E_RNA)
where:
Base-Base interactions energy: -369.963
where: short stacking energy: -159.418
Base-Backbone interact. energy: 1.124
local terms energy: -149.360436
where:
bonds (distance) C4'-P energy: -29.809
bonds (distance) P-C4' energy: -29.477
flat angles C4'-P-C4' energy: -28.936
flat angles P-C4'-P energy: -16.921
tors. eta vs tors. theta energy: -44.218
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: 6, replica: 6
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -518.846857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.846857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.846857 (E_RNA)
where:
Base-Base interactions energy: -350.357
where: short stacking energy: -164.006
Base-Backbone interact. energy: -0.044
local terms energy: -168.445688
where:
bonds (distance) C4'-P energy: -27.402
bonds (distance) P-C4' energy: -30.894
flat angles C4'-P-C4' energy: -37.640
flat angles P-C4'-P energy: -25.278
tors. eta vs tors. theta energy: -47.232
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: 4
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -425.263595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.263595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.263595 (E_RNA)
where:
Base-Base interactions energy: -286.381
where: short stacking energy: -129.313
Base-Backbone interact. energy: 0.507
local terms energy: -139.389368
where:
bonds (distance) C4'-P energy: -29.886
bonds (distance) P-C4' energy: -31.032
flat angles C4'-P-C4' energy: -30.103
flat angles P-C4'-P energy: -17.320
tors. eta vs tors. theta energy: -31.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -462.191550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.191550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.191550 (E_RNA)
where:
Base-Base interactions energy: -328.134
where: short stacking energy: -131.561
Base-Backbone interact. energy: -1.101
local terms energy: -132.956820
where:
bonds (distance) C4'-P energy: -30.271
bonds (distance) P-C4' energy: -28.255
flat angles C4'-P-C4' energy: -29.638
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -32.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -355.683105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.683105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.683105 (E_RNA)
where:
Base-Base interactions energy: -234.210
where: short stacking energy: -116.265
Base-Backbone interact. energy: -0.270
local terms energy: -121.202461
where:
bonds (distance) C4'-P energy: -28.430
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -34.607
flat angles P-C4'-P energy: -14.088
tors. eta vs tors. theta energy: -27.555
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: 1
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -311.217283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.217283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.217283 (E_RNA)
where:
Base-Base interactions energy: -187.408
where: short stacking energy: -86.927
Base-Backbone interact. energy: 1.348
local terms energy: -125.157482
where:
bonds (distance) C4'-P energy: -26.577
bonds (distance) P-C4' energy: -26.894
flat angles C4'-P-C4' energy: -29.761
flat angles P-C4'-P energy: -18.089
tors. eta vs tors. theta energy: -23.836
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: 1, replica: 5
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -579.953608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.953608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.953608 (E_RNA)
where:
Base-Base interactions energy: -397.393
where: short stacking energy: -181.665
Base-Backbone interact. energy: -0.252
local terms energy: -182.308893
where:
bonds (distance) C4'-P energy: -30.463
bonds (distance) P-C4' energy: -37.800
flat angles C4'-P-C4' energy: -38.224
flat angles P-C4'-P energy: -23.562
tors. eta vs tors. theta energy: -52.260
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: 8
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -563.157029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.157029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.157029 (E_RNA)
where:
Base-Base interactions energy: -381.418
where: short stacking energy: -167.844
Base-Backbone interact. energy: -0.044
local terms energy: -181.695640
where:
bonds (distance) C4'-P energy: -37.342
bonds (distance) P-C4' energy: -32.270
flat angles C4'-P-C4' energy: -35.337
flat angles P-C4'-P energy: -30.472
tors. eta vs tors. theta energy: -46.275
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: 9
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -574.639799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.639799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.639799 (E_RNA)
where:
Base-Base interactions energy: -407.043
where: short stacking energy: -173.631
Base-Backbone interact. energy: -0.639
local terms energy: -166.957839
where:
bonds (distance) C4'-P energy: -31.148
bonds (distance) P-C4' energy: -35.066
flat angles C4'-P-C4' energy: -38.696
flat angles P-C4'-P energy: -15.150
tors. eta vs tors. theta energy: -46.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -534.418441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.418441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.418441 (E_RNA)
where:
Base-Base interactions energy: -377.983
where: short stacking energy: -163.013
Base-Backbone interact. energy: -0.180
local terms energy: -156.255060
where:
bonds (distance) C4'-P energy: -31.248
bonds (distance) P-C4' energy: -31.376
flat angles C4'-P-C4' energy: -26.818
flat angles P-C4'-P energy: -26.830
tors. eta vs tors. theta energy: -39.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -541.185582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.185582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.185582 (E_RNA)
where:
Base-Base interactions energy: -404.164
where: short stacking energy: -160.958
Base-Backbone interact. energy: -0.516
local terms energy: -136.505000
where:
bonds (distance) C4'-P energy: -22.683
bonds (distance) P-C4' energy: -25.074
flat angles C4'-P-C4' energy: -28.542
flat angles P-C4'-P energy: -20.018
tors. eta vs tors. theta energy: -40.188
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: 6, replica: 6
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -512.082616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.082616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.082616 (E_RNA)
where:
Base-Base interactions energy: -345.116
where: short stacking energy: -153.094
Base-Backbone interact. energy: -1.018
local terms energy: -165.948926
where:
bonds (distance) C4'-P energy: -31.820
bonds (distance) P-C4' energy: -29.462
flat angles C4'-P-C4' energy: -29.803
flat angles P-C4'-P energy: -29.632
tors. eta vs tors. theta energy: -45.233
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: 4
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -460.806236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.806236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.806236 (E_RNA)
where:
Base-Base interactions energy: -311.850
where: short stacking energy: -136.228
Base-Backbone interact. energy: -2.074
local terms energy: -146.882106
where:
bonds (distance) C4'-P energy: -24.931
bonds (distance) P-C4' energy: -32.874
flat angles C4'-P-C4' energy: -36.972
flat angles P-C4'-P energy: -19.507
tors. eta vs tors. theta energy: -32.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -447.418985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.418985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.418985 (E_RNA)
where:
Base-Base interactions energy: -307.986
where: short stacking energy: -129.368
Base-Backbone interact. energy: -0.405
local terms energy: -139.027308
where:
bonds (distance) C4'-P energy: -25.411
bonds (distance) P-C4' energy: -30.373
flat angles C4'-P-C4' energy: -34.404
flat angles P-C4'-P energy: -21.307
tors. eta vs tors. theta energy: -27.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -339.508072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.508072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.508072 (E_RNA)
where:
Base-Base interactions energy: -226.221
where: short stacking energy: -109.799
Base-Backbone interact. energy: -1.429
local terms energy: -111.857200
where:
bonds (distance) C4'-P energy: -23.158
bonds (distance) P-C4' energy: -21.725
flat angles C4'-P-C4' energy: -23.887
flat angles P-C4'-P energy: -19.664
tors. eta vs tors. theta energy: -23.424
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: 1
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -314.413890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.413890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.413890 (E_RNA)
where:
Base-Base interactions energy: -198.592
where: short stacking energy: -90.814
Base-Backbone interact. energy: -1.892
local terms energy: -113.929925
where:
bonds (distance) C4'-P energy: -28.199
bonds (distance) P-C4' energy: -24.033
flat angles C4'-P-C4' energy: -22.757
flat angles P-C4'-P energy: -21.894
tors. eta vs tors. theta energy: -17.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -579.533227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.533227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.533227 (E_RNA)
where:
Base-Base interactions energy: -396.951
where: short stacking energy: -176.127
Base-Backbone interact. energy: -1.825
local terms energy: -180.757424
where:
bonds (distance) C4'-P energy: -35.393
bonds (distance) P-C4' energy: -36.768
flat angles C4'-P-C4' energy: -34.180
flat angles P-C4'-P energy: -25.410
tors. eta vs tors. theta energy: -49.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -573.582207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.582207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.582207 (E_RNA)
where:
Base-Base interactions energy: -400.607
where: short stacking energy: -185.515
Base-Backbone interact. energy: -0.078
local terms energy: -172.897900
where:
bonds (distance) C4'-P energy: -27.246
bonds (distance) P-C4' energy: -33.777
flat angles C4'-P-C4' energy: -37.234
flat angles P-C4'-P energy: -24.713
tors. eta vs tors. theta energy: -49.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -549.505225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.505225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.505225 (E_RNA)
where:
Base-Base interactions energy: -381.430
where: short stacking energy: -174.901
Base-Backbone interact. energy: -0.548
local terms energy: -167.527621
where:
bonds (distance) C4'-P energy: -36.509
bonds (distance) P-C4' energy: -30.244
flat angles C4'-P-C4' energy: -30.047
flat angles P-C4'-P energy: -24.386
tors. eta vs tors. theta energy: -46.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -564.770967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.770967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.770967 (E_RNA)
where:
Base-Base interactions energy: -404.045
where: short stacking energy: -167.353
Base-Backbone interact. energy: -1.103
local terms energy: -159.623042
where:
bonds (distance) C4'-P energy: -33.635
bonds (distance) P-C4' energy: -20.982
flat angles C4'-P-C4' energy: -35.227
flat angles P-C4'-P energy: -21.348
tors. eta vs tors. theta energy: -48.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -521.044391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.044391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.044391 (E_RNA)
where:
Base-Base interactions energy: -356.582
where: short stacking energy: -163.310
Base-Backbone interact. energy: 0.025
local terms energy: -164.487995
where:
bonds (distance) C4'-P energy: -30.946
bonds (distance) P-C4' energy: -32.056
flat angles C4'-P-C4' energy: -34.638
flat angles P-C4'-P energy: -18.345
tors. eta vs tors. theta energy: -48.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -509.979921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.979921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.979921 (E_RNA)
where:
Base-Base interactions energy: -355.535
where: short stacking energy: -142.684
Base-Backbone interact. energy: 1.421
local terms energy: -155.865710
where:
bonds (distance) C4'-P energy: -29.179
bonds (distance) P-C4' energy: -24.545
flat angles C4'-P-C4' energy: -32.772
flat angles P-C4'-P energy: -25.752
tors. eta vs tors. theta energy: -43.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -443.298854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.298854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.298854 (E_RNA)
where:
Base-Base interactions energy: -292.823
where: short stacking energy: -138.473
Base-Backbone interact. energy: -0.436
local terms energy: -150.039934
where:
bonds (distance) C4'-P energy: -30.784
bonds (distance) P-C4' energy: -24.833
flat angles C4'-P-C4' energy: -34.216
flat angles P-C4'-P energy: -23.290
tors. eta vs tors. theta energy: -36.918
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: 4
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -455.252321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.252321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.252321 (E_RNA)
where:
Base-Base interactions energy: -309.186
where: short stacking energy: -143.554
Base-Backbone interact. energy: -0.180
local terms energy: -145.886630
where:
bonds (distance) C4'-P energy: -25.900
bonds (distance) P-C4' energy: -34.381
flat angles C4'-P-C4' energy: -32.738
flat angles P-C4'-P energy: -20.515
tors. eta vs tors. theta energy: -32.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -310.222240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.222240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.222240 (E_RNA)
where:
Base-Base interactions energy: -195.270
where: short stacking energy: -89.184
Base-Backbone interact. energy: -1.969
local terms energy: -112.983618
where:
bonds (distance) C4'-P energy: -28.475
bonds (distance) P-C4' energy: -28.738
flat angles C4'-P-C4' energy: -26.572
flat angles P-C4'-P energy: -19.646
tors. eta vs tors. theta energy: -9.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -289.267763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.267763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.267763 (E_RNA)
where:
Base-Base interactions energy: -174.198
where: short stacking energy: -84.562
Base-Backbone interact. energy: -0.558
local terms energy: -114.511313
where:
bonds (distance) C4'-P energy: -27.294
bonds (distance) P-C4' energy: -26.056
flat angles C4'-P-C4' energy: -27.727
flat angles P-C4'-P energy: -20.948
tors. eta vs tors. theta energy: -12.486
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: 1, replica: 8
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -578.813899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.813899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.813899 (E_RNA)
where:
Base-Base interactions energy: -404.800
where: short stacking energy: -174.125
Base-Backbone interact. energy: -1.806
local terms energy: -172.208380
where:
bonds (distance) C4'-P energy: -29.415
bonds (distance) P-C4' energy: -31.435
flat angles C4'-P-C4' energy: -34.336
flat angles P-C4'-P energy: -27.206
tors. eta vs tors. theta energy: -49.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -569.835137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.835137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.835137 (E_RNA)
where:
Base-Base interactions energy: -394.069
where: short stacking energy: -176.256
Base-Backbone interact. energy: -0.164
local terms energy: -175.602396
where:
bonds (distance) C4'-P energy: -31.670
bonds (distance) P-C4' energy: -31.188
flat angles C4'-P-C4' energy: -33.173
flat angles P-C4'-P energy: -27.531
tors. eta vs tors. theta energy: -52.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -544.332771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.332771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.332771 (E_RNA)
where:
Base-Base interactions energy: -387.438
where: short stacking energy: -162.079
Base-Backbone interact. energy: -0.148
local terms energy: -156.746106
where:
bonds (distance) C4'-P energy: -36.536
bonds (distance) P-C4' energy: -27.628
flat angles C4'-P-C4' energy: -30.664
flat angles P-C4'-P energy: -20.603
tors. eta vs tors. theta energy: -41.316
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: 6
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -536.002795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.002795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.002795 (E_RNA)
where:
Base-Base interactions energy: -368.998
where: short stacking energy: -173.396
Base-Backbone interact. energy: 2.657
local terms energy: -169.661624
where:
bonds (distance) C4'-P energy: -23.509
bonds (distance) P-C4' energy: -29.897
flat angles C4'-P-C4' energy: -38.582
flat angles P-C4'-P energy: -28.529
tors. eta vs tors. theta energy: -49.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -553.655800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.655800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.655800 (E_RNA)
where:
Base-Base interactions energy: -388.997
where: short stacking energy: -165.277
Base-Backbone interact. energy: -1.047
local terms energy: -163.611528
where:
bonds (distance) C4'-P energy: -28.736
bonds (distance) P-C4' energy: -30.851
flat angles C4'-P-C4' energy: -36.044
flat angles P-C4'-P energy: -20.526
tors. eta vs tors. theta energy: -47.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -466.795849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.795849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.795849 (E_RNA)
where:
Base-Base interactions energy: -312.028
where: short stacking energy: -135.135
Base-Backbone interact. energy: -0.954
local terms energy: -153.814280
where:
bonds (distance) C4'-P energy: -33.330
bonds (distance) P-C4' energy: -29.597
flat angles C4'-P-C4' energy: -31.203
flat angles P-C4'-P energy: -20.144
tors. eta vs tors. theta energy: -39.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -499.192929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.192929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.192929 (E_RNA)
where:
Base-Base interactions energy: -359.171
where: short stacking energy: -141.562
Base-Backbone interact. energy: -0.208
local terms energy: -139.814019
where:
bonds (distance) C4'-P energy: -21.325
bonds (distance) P-C4' energy: -28.138
flat angles C4'-P-C4' energy: -27.879
flat angles P-C4'-P energy: -22.360
tors. eta vs tors. theta energy: -40.110
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: 4
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -414.284968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.284968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.284968 (E_RNA)
where:
Base-Base interactions energy: -287.393
where: short stacking energy: -120.467
Base-Backbone interact. energy: -0.067
local terms energy: -126.825113
where:
bonds (distance) C4'-P energy: -29.316
bonds (distance) P-C4' energy: -31.235
flat angles C4'-P-C4' energy: -29.196
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -26.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -316.977633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.977633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.977633 (E_RNA)
where:
Base-Base interactions energy: -205.893
where: short stacking energy: -84.212
Base-Backbone interact. energy: -0.096
local terms energy: -110.989556
where:
bonds (distance) C4'-P energy: -26.170
bonds (distance) P-C4' energy: -27.336
flat angles C4'-P-C4' energy: -23.573
flat angles P-C4'-P energy: -18.951
tors. eta vs tors. theta energy: -14.959
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: 10, replica: 1
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -290.014142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.014142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.014142 (E_RNA)
where:
Base-Base interactions energy: -169.875
where: short stacking energy: -86.236
Base-Backbone interact. energy: -0.236
local terms energy: -119.902520
where:
bonds (distance) C4'-P energy: -30.374
bonds (distance) P-C4' energy: -31.175
flat angles C4'-P-C4' energy: -26.533
flat angles P-C4'-P energy: -23.437
tors. eta vs tors. theta energy: -8.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -585.044021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.044021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.044021 (E_RNA)
where:
Base-Base interactions energy: -405.931
where: short stacking energy: -183.796
Base-Backbone interact. energy: -0.215
local terms energy: -178.898060
where:
bonds (distance) C4'-P energy: -33.411
bonds (distance) P-C4' energy: -33.879
flat angles C4'-P-C4' energy: -36.572
flat angles P-C4'-P energy: -23.408
tors. eta vs tors. theta energy: -51.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -565.510696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.510696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.510696 (E_RNA)
where:
Base-Base interactions energy: -393.428
where: short stacking energy: -161.352
Base-Backbone interact. energy: -0.619
local terms energy: -171.463906
where:
bonds (distance) C4'-P energy: -34.759
bonds (distance) P-C4' energy: -31.016
flat angles C4'-P-C4' energy: -36.193
flat angles P-C4'-P energy: -21.591
tors. eta vs tors. theta energy: -47.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -538.840478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.840478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.840478 (E_RNA)
where:
Base-Base interactions energy: -370.239
where: short stacking energy: -183.412
Base-Backbone interact. energy: -0.003
local terms energy: -168.598718
where:
bonds (distance) C4'-P energy: -29.795
bonds (distance) P-C4' energy: -32.196
flat angles C4'-P-C4' energy: -34.723
flat angles P-C4'-P energy: -23.164
tors. eta vs tors. theta energy: -48.721
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: 2
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -530.029270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.029270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.029270 (E_RNA)
where:
Base-Base interactions energy: -373.305
where: short stacking energy: -164.619
Base-Backbone interact. energy: -0.357
local terms energy: -156.366665
where:
bonds (distance) C4'-P energy: -32.103
bonds (distance) P-C4' energy: -32.796
flat angles C4'-P-C4' energy: -27.490
flat angles P-C4'-P energy: -20.896
tors. eta vs tors. theta energy: -43.082
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: 9
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -565.410298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.410298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.410298 (E_RNA)
where:
Base-Base interactions energy: -399.540
where: short stacking energy: -180.679
Base-Backbone interact. energy: -0.449
local terms energy: -165.420909
where:
bonds (distance) C4'-P energy: -29.834
bonds (distance) P-C4' energy: -26.049
flat angles C4'-P-C4' energy: -36.312
flat angles P-C4'-P energy: -24.197
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: 6, replica: 10
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -463.309619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.309619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.309619 (E_RNA)
where:
Base-Base interactions energy: -323.038
where: short stacking energy: -125.198
Base-Backbone interact. energy: -0.487
local terms energy: -139.784999
where:
bonds (distance) C4'-P energy: -28.189
bonds (distance) P-C4' energy: -36.379
flat angles C4'-P-C4' energy: -27.332
flat angles P-C4'-P energy: -16.479
tors. eta vs tors. theta energy: -31.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -500.524352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.524352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.524352 (E_RNA)
where:
Base-Base interactions energy: -361.489
where: short stacking energy: -153.571
Base-Backbone interact. energy: -0.396
local terms energy: -138.639161
where:
bonds (distance) C4'-P energy: -30.812
bonds (distance) P-C4' energy: -17.963
flat angles C4'-P-C4' energy: -32.390
flat angles P-C4'-P energy: -17.413
tors. eta vs tors. theta energy: -40.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -432.495565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.495565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.495565 (E_RNA)
where:
Base-Base interactions energy: -296.037
where: short stacking energy: -138.080
Base-Backbone interact. energy: 0.891
local terms energy: -137.349469
where:
bonds (distance) C4'-P energy: -22.436
bonds (distance) P-C4' energy: -30.538
flat angles C4'-P-C4' energy: -25.969
flat angles P-C4'-P energy: -22.509
tors. eta vs tors. theta energy: -35.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -322.463303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.463303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.463303 (E_RNA)
where:
Base-Base interactions energy: -204.257
where: short stacking energy: -95.474
Base-Backbone interact. energy: -0.329
local terms energy: -117.877295
where:
bonds (distance) C4'-P energy: -27.364
bonds (distance) P-C4' energy: -26.406
flat angles C4'-P-C4' energy: -31.548
flat angles P-C4'-P energy: -15.654
tors. eta vs tors. theta energy: -16.905
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: 3
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -356.562312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.562312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.562312 (E_RNA)
where:
Base-Base interactions energy: -241.229
where: short stacking energy: -105.663
Base-Backbone interact. energy: -1.541
local terms energy: -113.792796
where:
bonds (distance) C4'-P energy: -24.635
bonds (distance) P-C4' energy: -29.612
flat angles C4'-P-C4' energy: -23.363
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -23.626
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: 5
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -569.571444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.571444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.571444 (E_RNA)
where:
Base-Base interactions energy: -390.763
where: short stacking energy: -173.769
Base-Backbone interact. energy: -0.913
local terms energy: -177.894907
where:
bonds (distance) C4'-P energy: -37.698
bonds (distance) P-C4' energy: -33.662
flat angles C4'-P-C4' energy: -36.692
flat angles P-C4'-P energy: -19.851
tors. eta vs tors. theta energy: -49.993
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: 2, replica: 6
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -541.606009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.606009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.606009 (E_RNA)
where:
Base-Base interactions energy: -363.399
where: short stacking energy: -177.446
Base-Backbone interact. energy: -0.041
local terms energy: -178.165415
where:
bonds (distance) C4'-P energy: -31.103
bonds (distance) P-C4' energy: -34.812
flat angles C4'-P-C4' energy: -35.518
flat angles P-C4'-P energy: -25.450
tors. eta vs tors. theta energy: -51.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -558.405790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.405790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.405790 (E_RNA)
where:
Base-Base interactions energy: -389.099
where: short stacking energy: -161.648
Base-Backbone interact. energy: -1.566
local terms energy: -167.740942
where:
bonds (distance) C4'-P energy: -33.285
bonds (distance) P-C4' energy: -33.413
flat angles C4'-P-C4' energy: -30.881
flat angles P-C4'-P energy: -22.049
tors. eta vs tors. theta energy: -48.113
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: 4, replica: 9
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -570.751655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.751655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.751655 (E_RNA)
where:
Base-Base interactions energy: -410.238
where: short stacking energy: -169.255
Base-Backbone interact. energy: -0.135
local terms energy: -160.378303
where:
bonds (distance) C4'-P energy: -27.427
bonds (distance) P-C4' energy: -27.785
flat angles C4'-P-C4' energy: -31.007
flat angles P-C4'-P energy: -24.483
tors. eta vs tors. theta energy: -49.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -527.087101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.087101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.087101 (E_RNA)
where:
Base-Base interactions energy: -365.410
where: short stacking energy: -160.240
Base-Backbone interact. energy: -1.207
local terms energy: -160.469753
where:
bonds (distance) C4'-P energy: -30.740
bonds (distance) P-C4' energy: -30.368
flat angles C4'-P-C4' energy: -32.776
flat angles P-C4'-P energy: -20.860
tors. eta vs tors. theta energy: -45.726
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: 7
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -507.372909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.372909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.372909 (E_RNA)
where:
Base-Base interactions energy: -353.044
where: short stacking energy: -148.943
Base-Backbone interact. energy: -0.526
local terms energy: -153.802887
where:
bonds (distance) C4'-P energy: -27.770
bonds (distance) P-C4' energy: -31.741
flat angles C4'-P-C4' energy: -34.992
flat angles P-C4'-P energy: -24.039
tors. eta vs tors. theta energy: -35.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -444.309489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.309489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.309489 (E_RNA)
where:
Base-Base interactions energy: -306.325
where: short stacking energy: -132.609
Base-Backbone interact. energy: -0.232
local terms energy: -137.752103
where:
bonds (distance) C4'-P energy: -24.384
bonds (distance) P-C4' energy: -24.525
flat angles C4'-P-C4' energy: -30.871
flat angles P-C4'-P energy: -25.053
tors. eta vs tors. theta energy: -32.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -456.008991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.008991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.008991 (E_RNA)
where:
Base-Base interactions energy: -317.592
where: short stacking energy: -146.951
Base-Backbone interact. energy: 0.356
local terms energy: -138.773425
where:
bonds (distance) C4'-P energy: -24.619
bonds (distance) P-C4' energy: -28.524
flat angles C4'-P-C4' energy: -26.521
flat angles P-C4'-P energy: -20.654
tors. eta vs tors. theta energy: -38.455
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: 1
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -329.459349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.459349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.459349 (E_RNA)
where:
Base-Base interactions energy: -210.570
where: short stacking energy: -99.453
Base-Backbone interact. energy: -1.058
local terms energy: -117.831983
where:
bonds (distance) C4'-P energy: -27.060
bonds (distance) P-C4' energy: -29.401
flat angles C4'-P-C4' energy: -28.876
flat angles P-C4'-P energy: -15.229
tors. eta vs tors. theta energy: -17.265
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: 3
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -306.954680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.954680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.954680 (E_RNA)
where:
Base-Base interactions energy: -180.887
where: short stacking energy: -77.040
Base-Backbone interact. energy: 0.282
local terms energy: -126.348964
where:
bonds (distance) C4'-P energy: -33.814
bonds (distance) P-C4' energy: -32.386
flat angles C4'-P-C4' energy: -25.886
flat angles P-C4'-P energy: -19.631
tors. eta vs tors. theta energy: -14.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -590.038754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.038754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.038754 (E_RNA)
where:
Base-Base interactions energy: -412.608
where: short stacking energy: -185.925
Base-Backbone interact. energy: -0.634
local terms energy: -176.796977
where:
bonds (distance) C4'-P energy: -27.453
bonds (distance) P-C4' energy: -32.371
flat angles C4'-P-C4' energy: -34.571
flat angles P-C4'-P energy: -28.566
tors. eta vs tors. theta energy: -53.836
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: 6
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -556.203565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.203565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.203565 (E_RNA)
where:
Base-Base interactions energy: -378.946
where: short stacking energy: -177.291
Base-Backbone interact. energy: 0.003
local terms energy: -177.260595
where:
bonds (distance) C4'-P energy: -29.561
bonds (distance) P-C4' energy: -30.700
flat angles C4'-P-C4' energy: -38.053
flat angles P-C4'-P energy: -27.655
tors. eta vs tors. theta energy: -51.291
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: 9
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -571.603583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.603583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.603583 (E_RNA)
where:
Base-Base interactions energy: -390.658
where: short stacking energy: -160.708
Base-Backbone interact. energy: -1.005
local terms energy: -179.940209
where:
bonds (distance) C4'-P energy: -34.531
bonds (distance) P-C4' energy: -35.320
flat angles C4'-P-C4' energy: -33.162
flat angles P-C4'-P energy: -25.796
tors. eta vs tors. theta energy: -51.132
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: 8
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -543.531929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.531929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.531929 (E_RNA)
where:
Base-Base interactions energy: -373.241
where: short stacking energy: -155.221
Base-Backbone interact. energy: -2.216
local terms energy: -168.074643
where:
bonds (distance) C4'-P energy: -34.450
bonds (distance) P-C4' energy: -32.773
flat angles C4'-P-C4' energy: -30.416
flat angles P-C4'-P energy: -23.952
tors. eta vs tors. theta energy: -46.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -500.610916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.610916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.610916 (E_RNA)
where:
Base-Base interactions energy: -352.106
where: short stacking energy: -137.699
Base-Backbone interact. energy: -0.753
local terms energy: -147.752229
where:
bonds (distance) C4'-P energy: -27.830
bonds (distance) P-C4' energy: -35.507
flat angles C4'-P-C4' energy: -29.146
flat angles P-C4'-P energy: -22.194
tors. eta vs tors. theta energy: -33.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -487.434978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.434978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.434978 (E_RNA)
where:
Base-Base interactions energy: -324.086
where: short stacking energy: -149.776
Base-Backbone interact. energy: -0.124
local terms energy: -163.224614
where:
bonds (distance) C4'-P energy: -32.799
bonds (distance) P-C4' energy: -28.258
flat angles C4'-P-C4' energy: -32.524
flat angles P-C4'-P energy: -26.447
tors. eta vs tors. theta energy: -43.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -453.778627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.778627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.778627 (E_RNA)
where:
Base-Base interactions energy: -307.686
where: short stacking energy: -141.765
Base-Backbone interact. energy: -0.067
local terms energy: -146.025856
where:
bonds (distance) C4'-P energy: -29.745
bonds (distance) P-C4' energy: -33.919
flat angles C4'-P-C4' energy: -28.667
flat angles P-C4'-P energy: -20.105
tors. eta vs tors. theta energy: -33.590
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: 8, replica: 10
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -434.529640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.529640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.529640 (E_RNA)
where:
Base-Base interactions energy: -303.720
where: short stacking energy: -145.328
Base-Backbone interact. energy: -0.094
local terms energy: -130.714922
where:
bonds (distance) C4'-P energy: -21.965
bonds (distance) P-C4' energy: -28.684
flat angles C4'-P-C4' energy: -24.854
flat angles P-C4'-P energy: -20.755
tors. eta vs tors. theta energy: -34.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -342.651892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.651892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.651892 (E_RNA)
where:
Base-Base interactions energy: -226.712
where: short stacking energy: -108.392
Base-Backbone interact. energy: -0.285
local terms energy: -115.654811
where:
bonds (distance) C4'-P energy: -18.012
bonds (distance) P-C4' energy: -32.320
flat angles C4'-P-C4' energy: -25.707
flat angles P-C4'-P energy: -15.920
tors. eta vs tors. theta energy: -23.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -292.203952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.203952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.203952 (E_RNA)
where:
Base-Base interactions energy: -174.844
where: short stacking energy: -88.212
Base-Backbone interact. energy: -0.543
local terms energy: -116.817228
where:
bonds (distance) C4'-P energy: -24.895
bonds (distance) P-C4' energy: -26.979
flat angles C4'-P-C4' energy: -28.539
flat angles P-C4'-P energy: -20.073
tors. eta vs tors. theta energy: -16.332
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: 5
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -579.399569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.399569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.399569 (E_RNA)
where:
Base-Base interactions energy: -398.430
where: short stacking energy: -168.367
Base-Backbone interact. energy: -0.196
local terms energy: -180.773402
where:
bonds (distance) C4'-P energy: -33.641
bonds (distance) P-C4' energy: -34.316
flat angles C4'-P-C4' energy: -32.017
flat angles P-C4'-P energy: -27.058
tors. eta vs tors. theta energy: -53.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -580.598326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.598326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.598326 (E_RNA)
where:
Base-Base interactions energy: -409.962
where: short stacking energy: -176.108
Base-Backbone interact. energy: -0.629
local terms energy: -170.006983
where:
bonds (distance) C4'-P energy: -25.471
bonds (distance) P-C4' energy: -36.173
flat angles C4'-P-C4' energy: -36.328
flat angles P-C4'-P energy: -21.980
tors. eta vs tors. theta energy: -50.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -549.082217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.082217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.082217 (E_RNA)
where:
Base-Base interactions energy: -375.098
where: short stacking energy: -178.537
Base-Backbone interact. energy: -0.876
local terms energy: -173.107721
where:
bonds (distance) C4'-P energy: -27.762
bonds (distance) P-C4' energy: -32.467
flat angles C4'-P-C4' energy: -34.195
flat angles P-C4'-P energy: -26.882
tors. eta vs tors. theta energy: -51.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -536.828024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.828024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.828024 (E_RNA)
where:
Base-Base interactions energy: -378.800
where: short stacking energy: -150.049
Base-Backbone interact. energy: -0.613
local terms energy: -157.415371
where:
bonds (distance) C4'-P energy: -23.746
bonds (distance) P-C4' energy: -38.142
flat angles C4'-P-C4' energy: -27.064
flat angles P-C4'-P energy: -28.481
tors. eta vs tors. theta energy: -39.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -543.453313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.453313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.453313 (E_RNA)
where:
Base-Base interactions energy: -376.671
where: short stacking energy: -164.926
Base-Backbone interact. energy: -1.097
local terms energy: -165.685316
where:
bonds (distance) C4'-P energy: -28.452
bonds (distance) P-C4' energy: -34.610
flat angles C4'-P-C4' energy: -31.954
flat angles P-C4'-P energy: -22.169
tors. eta vs tors. theta energy: -48.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -533.892646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.892646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.892646 (E_RNA)
where:
Base-Base interactions energy: -372.182
where: short stacking energy: -166.720
Base-Backbone interact. energy: -0.949
local terms energy: -160.761532
where:
bonds (distance) C4'-P energy: -30.182
bonds (distance) P-C4' energy: -27.393
flat angles C4'-P-C4' energy: -36.802
flat angles P-C4'-P energy: -20.979
tors. eta vs tors. theta energy: -45.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -465.078828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.078828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.078828 (E_RNA)
where:
Base-Base interactions energy: -330.778
where: short stacking energy: -137.098
Base-Backbone interact. energy: 0.701
local terms energy: -135.001301
where:
bonds (distance) C4'-P energy: -22.415
bonds (distance) P-C4' energy: -25.436
flat angles C4'-P-C4' energy: -34.410
flat angles P-C4'-P energy: -19.362
tors. eta vs tors. theta energy: -33.378
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: 8, replica: 3
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -333.515351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.515351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.515351 (E_RNA)
where:
Base-Base interactions energy: -212.201
where: short stacking energy: -98.279
Base-Backbone interact. energy: -1.073
local terms energy: -120.241798
where:
bonds (distance) C4'-P energy: -20.478
bonds (distance) P-C4' energy: -27.086
flat angles C4'-P-C4' energy: -25.728
flat angles P-C4'-P energy: -23.551
tors. eta vs tors. theta energy: -23.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -364.134788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.134788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.134788 (E_RNA)
where:
Base-Base interactions energy: -233.649
where: short stacking energy: -109.299
Base-Backbone interact. energy: -0.006
local terms energy: -130.480508
where:
bonds (distance) C4'-P energy: -20.051
bonds (distance) P-C4' energy: -28.786
flat angles C4'-P-C4' energy: -24.354
flat angles P-C4'-P energy: -24.970
tors. eta vs tors. theta energy: -32.320
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: 1
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -281.330563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.330563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.330563 (E_RNA)
where:
Base-Base interactions energy: -170.738
where: short stacking energy: -81.415
Base-Backbone interact. energy: -1.527
local terms energy: -109.065549
where:
bonds (distance) C4'-P energy: -24.947
bonds (distance) P-C4' energy: -36.828
flat angles C4'-P-C4' energy: -24.192
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: -8.950
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: 5
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -583.033273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.033273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.033273 (E_RNA)
where:
Base-Base interactions energy: -402.194
where: short stacking energy: -178.623
Base-Backbone interact. energy: -0.464
local terms energy: -180.375461
where:
bonds (distance) C4'-P energy: -31.203
bonds (distance) P-C4' energy: -34.239
flat angles C4'-P-C4' energy: -36.471
flat angles P-C4'-P energy: -27.987
tors. eta vs tors. theta energy: -50.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -580.496206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.496206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.496206 (E_RNA)
where:
Base-Base interactions energy: -405.499
where: short stacking energy: -174.160
Base-Backbone interact. energy: 0.263
local terms energy: -175.260489
where:
bonds (distance) C4'-P energy: -30.324
bonds (distance) P-C4' energy: -36.079
flat angles C4'-P-C4' energy: -36.524
flat angles P-C4'-P energy: -22.113
tors. eta vs tors. theta energy: -50.219
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: 6
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -529.087013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.087013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.087013 (E_RNA)
where:
Base-Base interactions energy: -372.412
where: short stacking energy: -178.751
Base-Backbone interact. energy: -0.111
local terms energy: -156.563824
where:
bonds (distance) C4'-P energy: -29.455
bonds (distance) P-C4' energy: -28.631
flat angles C4'-P-C4' energy: -33.803
flat angles P-C4'-P energy: -21.679
tors. eta vs tors. theta energy: -42.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -542.055283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.055283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.055283 (E_RNA)
where:
Base-Base interactions energy: -386.289
where: short stacking energy: -156.678
Base-Backbone interact. energy: -0.710
local terms energy: -155.055952
where:
bonds (distance) C4'-P energy: -31.506
bonds (distance) P-C4' energy: -34.994
flat angles C4'-P-C4' energy: -31.521
flat angles P-C4'-P energy: -21.099
tors. eta vs tors. theta energy: -35.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -533.854644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.854644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.854644 (E_RNA)
where:
Base-Base interactions energy: -372.221
where: short stacking energy: -160.684
Base-Backbone interact. energy: -1.160
local terms energy: -160.473782
where:
bonds (distance) C4'-P energy: -28.287
bonds (distance) P-C4' energy: -28.444
flat angles C4'-P-C4' energy: -34.875
flat angles P-C4'-P energy: -25.618
tors. eta vs tors. theta energy: -43.250
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: 6, replica: 8
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -520.347465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.347465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.347465 (E_RNA)
where:
Base-Base interactions energy: -363.715
where: short stacking energy: -153.508
Base-Backbone interact. energy: -0.196
local terms energy: -156.436127
where:
bonds (distance) C4'-P energy: -32.620
bonds (distance) P-C4' energy: -31.337
flat angles C4'-P-C4' energy: -31.492
flat angles P-C4'-P energy: -17.842
tors. eta vs tors. theta energy: -43.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -452.297868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.297868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.297868 (E_RNA)
where:
Base-Base interactions energy: -298.967
where: short stacking energy: -131.053
Base-Backbone interact. energy: 0.237
local terms energy: -153.567274
where:
bonds (distance) C4'-P energy: -29.766
bonds (distance) P-C4' energy: -32.509
flat angles C4'-P-C4' energy: -32.069
flat angles P-C4'-P energy: -26.197
tors. eta vs tors. theta energy: -33.026
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: 3
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -329.884874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.884874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.884874 (E_RNA)
where:
Base-Base interactions energy: -216.836
where: short stacking energy: -101.101
Base-Backbone interact. energy: -0.705
local terms energy: -112.343994
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -33.619
flat angles C4'-P-C4' energy: -27.940
flat angles P-C4'-P energy: -15.763
tors. eta vs tors. theta energy: -19.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -384.353254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.353254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.353254 (E_RNA)
where:
Base-Base interactions energy: -244.455
where: short stacking energy: -118.154
Base-Backbone interact. energy: -0.320
local terms energy: -139.578546
where:
bonds (distance) C4'-P energy: -29.782
bonds (distance) P-C4' energy: -26.285
flat angles C4'-P-C4' energy: -33.676
flat angles P-C4'-P energy: -15.163
tors. eta vs tors. theta energy: -34.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -311.879740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.879740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.879740 (E_RNA)
where:
Base-Base interactions energy: -194.224
where: short stacking energy: -105.117
Base-Backbone interact. energy: -0.225
local terms energy: -117.430327
where:
bonds (distance) C4'-P energy: -23.744
bonds (distance) P-C4' energy: -30.438
flat angles C4'-P-C4' energy: -26.276
flat angles P-C4'-P energy: -20.838
tors. eta vs tors. theta energy: -16.133
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: 5
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -582.301704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.301704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.301704 (E_RNA)
where:
Base-Base interactions energy: -405.789
where: short stacking energy: -175.977
Base-Backbone interact. energy: -0.483
local terms energy: -176.029405
where:
bonds (distance) C4'-P energy: -29.961
bonds (distance) P-C4' energy: -35.232
flat angles C4'-P-C4' energy: -36.932
flat angles P-C4'-P energy: -23.265
tors. eta vs tors. theta energy: -50.640
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: 2, replica: 9
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -585.003043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.003043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.003043 (E_RNA)
where:
Base-Base interactions energy: -411.764
where: short stacking energy: -171.425
Base-Backbone interact. energy: -0.678
local terms energy: -172.560775
where:
bonds (distance) C4'-P energy: -30.447
bonds (distance) P-C4' energy: -34.366
flat angles C4'-P-C4' energy: -35.471
flat angles P-C4'-P energy: -22.068
tors. eta vs tors. theta energy: -50.208
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: 6
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -536.561667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.561667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.561667 (E_RNA)
where:
Base-Base interactions energy: -369.971
where: short stacking energy: -166.859
Base-Backbone interact. energy: -0.726
local terms energy: -165.864914
where:
bonds (distance) C4'-P energy: -28.811
bonds (distance) P-C4' energy: -30.744
flat angles C4'-P-C4' energy: -33.648
flat angles P-C4'-P energy: -24.911
tors. eta vs tors. theta energy: -47.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -537.719698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.719698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.719698 (E_RNA)
where:
Base-Base interactions energy: -380.894
where: short stacking energy: -161.832
Base-Backbone interact. energy: -0.146
local terms energy: -156.679495
where:
bonds (distance) C4'-P energy: -31.859
bonds (distance) P-C4' energy: -24.483
flat angles C4'-P-C4' energy: -34.485
flat angles P-C4'-P energy: -21.132
tors. eta vs tors. theta energy: -44.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -533.895832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.895832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.895832 (E_RNA)
where:
Base-Base interactions energy: -380.472
where: short stacking energy: -164.207
Base-Backbone interact. energy: -2.117
local terms energy: -151.306492
where:
bonds (distance) C4'-P energy: -31.249
bonds (distance) P-C4' energy: -32.190
flat angles C4'-P-C4' energy: -26.267
flat angles P-C4'-P energy: -21.686
tors. eta vs tors. theta energy: -39.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -514.527168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.527168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.527168 (E_RNA)
where:
Base-Base interactions energy: -367.327
where: short stacking energy: -160.097
Base-Backbone interact. energy: -0.763
local terms energy: -146.437621
where:
bonds (distance) C4'-P energy: -30.993
bonds (distance) P-C4' energy: -20.809
flat angles C4'-P-C4' energy: -28.805
flat angles P-C4'-P energy: -19.906
tors. eta vs tors. theta energy: -45.924
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: 7, replica: 4
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -450.396202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.396202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.396202 (E_RNA)
where:
Base-Base interactions energy: -297.478
where: short stacking energy: -139.059
Base-Backbone interact. energy: 0.161
local terms energy: -153.078329
where:
bonds (distance) C4'-P energy: -30.537
bonds (distance) P-C4' energy: -32.781
flat angles C4'-P-C4' energy: -35.208
flat angles P-C4'-P energy: -19.973
tors. eta vs tors. theta energy: -34.580
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: 365
Temperature: 1.250000
Total energy: -383.099665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.099665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.099665 (E_RNA)
where:
Base-Base interactions energy: -243.588
where: short stacking energy: -120.073
Base-Backbone interact. energy: -0.214
local terms energy: -139.297085
where:
bonds (distance) C4'-P energy: -24.355
bonds (distance) P-C4' energy: -31.730
flat angles C4'-P-C4' energy: -32.065
flat angles P-C4'-P energy: -21.747
tors. eta vs tors. theta energy: -29.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -335.573536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.573536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.573536 (E_RNA)
where:
Base-Base interactions energy: -229.469
where: short stacking energy: -85.196
Base-Backbone interact. energy: 0.017
local terms energy: -106.121197
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -27.416
flat angles C4'-P-C4' energy: -28.227
flat angles P-C4'-P energy: -15.675
tors. eta vs tors. theta energy: -16.140
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: 1
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -290.429141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.429141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.429141 (E_RNA)
where:
Base-Base interactions energy: -184.381
where: short stacking energy: -98.743
Base-Backbone interact. energy: -0.204
local terms energy: -105.844152
where:
bonds (distance) C4'-P energy: -27.213
bonds (distance) P-C4' energy: -28.007
flat angles C4'-P-C4' energy: -18.374
flat angles P-C4'-P energy: -15.888
tors. eta vs tors. theta energy: -16.362
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: 1, replica: 9
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -595.085716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.085716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.085716 (E_RNA)
where:
Base-Base interactions energy: -420.214
where: short stacking energy: -164.568
Base-Backbone interact. energy: -0.276
local terms energy: -174.595958
where:
bonds (distance) C4'-P energy: -27.274
bonds (distance) P-C4' energy: -35.962
flat angles C4'-P-C4' energy: -35.005
flat angles P-C4'-P energy: -29.330
tors. eta vs tors. theta energy: -47.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -579.528285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.528285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.528285 (E_RNA)
where:
Base-Base interactions energy: -406.700
where: short stacking energy: -180.493
Base-Backbone interact. energy: 0.956
local terms energy: -173.783962
where:
bonds (distance) C4'-P energy: -32.711
bonds (distance) P-C4' energy: -30.852
flat angles C4'-P-C4' energy: -33.284
flat angles P-C4'-P energy: -26.615
tors. eta vs tors. theta energy: -50.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -542.045385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.045385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.045385 (E_RNA)
where:
Base-Base interactions energy: -362.831
where: short stacking energy: -177.978
Base-Backbone interact. energy: -0.080
local terms energy: -179.134663
where:
bonds (distance) C4'-P energy: -26.510
bonds (distance) P-C4' energy: -33.696
flat angles C4'-P-C4' energy: -33.807
flat angles P-C4'-P energy: -30.483
tors. eta vs tors. theta energy: -54.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -567.712018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.712018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.712018 (E_RNA)
where:
Base-Base interactions energy: -403.698
where: short stacking energy: -166.708
Base-Backbone interact. energy: 1.300
local terms energy: -165.313624
where:
bonds (distance) C4'-P energy: -29.961
bonds (distance) P-C4' energy: -33.098
flat angles C4'-P-C4' energy: -31.368
flat angles P-C4'-P energy: -28.213
tors. eta vs tors. theta energy: -42.674
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: 5, replica: 7
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -530.719425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.719425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.719425 (E_RNA)
where:
Base-Base interactions energy: -389.462
where: short stacking energy: -148.589
Base-Backbone interact. energy: -0.504
local terms energy: -140.753544
where:
bonds (distance) C4'-P energy: -31.525
bonds (distance) P-C4' energy: -24.822
flat angles C4'-P-C4' energy: -27.646
flat angles P-C4'-P energy: -24.662
tors. eta vs tors. theta energy: -32.098
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: 8
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -531.531251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.531251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.531251 (E_RNA)
where:
Base-Base interactions energy: -372.825
where: short stacking energy: -167.242
Base-Backbone interact. energy: 0.346
local terms energy: -159.051835
where:
bonds (distance) C4'-P energy: -24.263
bonds (distance) P-C4' energy: -27.710
flat angles C4'-P-C4' energy: -31.919
flat angles P-C4'-P energy: -25.590
tors. eta vs tors. theta energy: -49.570
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: 4
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -456.431051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.431051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.431051 (E_RNA)
where:
Base-Base interactions energy: -319.648
where: short stacking energy: -142.760
Base-Backbone interact. energy: -1.223
local terms energy: -135.559522
where:
bonds (distance) C4'-P energy: -25.877
bonds (distance) P-C4' energy: -26.394
flat angles C4'-P-C4' energy: -29.223
flat angles P-C4'-P energy: -13.567
tors. eta vs tors. theta energy: -40.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -388.726939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.726939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.726939 (E_RNA)
where:
Base-Base interactions energy: -245.404
where: short stacking energy: -121.480
Base-Backbone interact. energy: -0.295
local terms energy: -143.027863
where:
bonds (distance) C4'-P energy: -28.543
bonds (distance) P-C4' energy: -35.676
flat angles C4'-P-C4' energy: -32.735
flat angles P-C4'-P energy: -21.390
tors. eta vs tors. theta energy: -24.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -342.395076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.395076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.395076 (E_RNA)
where:
Base-Base interactions energy: -208.665
where: short stacking energy: -86.509
Base-Backbone interact. energy: -0.199
local terms energy: -133.531081
where:
bonds (distance) C4'-P energy: -31.866
bonds (distance) P-C4' energy: -30.139
flat angles C4'-P-C4' energy: -33.480
flat angles P-C4'-P energy: -19.412
tors. eta vs tors. theta energy: -18.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -310.526304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.526304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.526304 (E_RNA)
where:
Base-Base interactions energy: -194.316
where: short stacking energy: -102.184
Base-Backbone interact. energy: -0.781
local terms energy: -115.429795
where:
bonds (distance) C4'-P energy: -24.384
bonds (distance) P-C4' energy: -27.552
flat angles C4'-P-C4' energy: -30.663
flat angles P-C4'-P energy: -17.345
tors. eta vs tors. theta energy: -15.485
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: 1, replica: 9
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -582.927008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.927008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.927008 (E_RNA)
where:
Base-Base interactions energy: -408.554
where: short stacking energy: -179.035
Base-Backbone interact. energy: -1.357
local terms energy: -173.016115
where:
bonds (distance) C4'-P energy: -29.265
bonds (distance) P-C4' energy: -34.246
flat angles C4'-P-C4' energy: -33.043
flat angles P-C4'-P energy: -27.719
tors. eta vs tors. theta energy: -48.742
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: 5
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -572.764484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.764484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.764484 (E_RNA)
where:
Base-Base interactions energy: -404.164
where: short stacking energy: -181.842
Base-Backbone interact. energy: -0.184
local terms energy: -168.416376
where:
bonds (distance) C4'-P energy: -23.490
bonds (distance) P-C4' energy: -36.039
flat angles C4'-P-C4' energy: -38.435
flat angles P-C4'-P energy: -21.456
tors. eta vs tors. theta energy: -48.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -523.806250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.806250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.806250 (E_RNA)
where:
Base-Base interactions energy: -361.018
where: short stacking energy: -168.798
Base-Backbone interact. energy: -0.267
local terms energy: -162.521210
where:
bonds (distance) C4'-P energy: -21.644
bonds (distance) P-C4' energy: -34.499
flat angles C4'-P-C4' energy: -34.340
flat angles P-C4'-P energy: -27.710
tors. eta vs tors. theta energy: -44.328
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: 2
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -552.676549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.676549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.676549 (E_RNA)
where:
Base-Base interactions energy: -412.094
where: short stacking energy: -175.029
Base-Backbone interact. energy: -0.109
local terms energy: -140.473928
where:
bonds (distance) C4'-P energy: -28.766
bonds (distance) P-C4' energy: -19.288
flat angles C4'-P-C4' energy: -33.620
flat angles P-C4'-P energy: -18.503
tors. eta vs tors. theta energy: -40.297
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: 7
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -543.393309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.393309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.393309 (E_RNA)
where:
Base-Base interactions energy: -384.340
where: short stacking energy: -158.398
Base-Backbone interact. energy: -0.477
local terms energy: -158.576624
where:
bonds (distance) C4'-P energy: -29.502
bonds (distance) P-C4' energy: -26.107
flat angles C4'-P-C4' energy: -36.589
flat angles P-C4'-P energy: -21.755
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: 6, replica: 8
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -519.039297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.039297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.039297 (E_RNA)
where:
Base-Base interactions energy: -369.635
where: short stacking energy: -161.382
Base-Backbone interact. energy: 1.041
local terms energy: -150.444321
where:
bonds (distance) C4'-P energy: -26.109
bonds (distance) P-C4' energy: -22.458
flat angles C4'-P-C4' energy: -34.636
flat angles P-C4'-P energy: -27.093
tors. eta vs tors. theta energy: -40.148
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: 4
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -456.028782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.028782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.028782 (E_RNA)
where:
Base-Base interactions energy: -310.163
where: short stacking energy: -133.849
Base-Backbone interact. energy: -0.376
local terms energy: -145.489693
where:
bonds (distance) C4'-P energy: -28.126
bonds (distance) P-C4' energy: -28.011
flat angles C4'-P-C4' energy: -32.408
flat angles P-C4'-P energy: -15.199
tors. eta vs tors. theta energy: -41.745
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: 367
Temperature: 1.250000
Total energy: -353.459305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.459305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.459305 (E_RNA)
where:
Base-Base interactions energy: -240.469
where: short stacking energy: -106.719
Base-Backbone interact. energy: -0.235
local terms energy: -112.754977
where:
bonds (distance) C4'-P energy: -17.309
bonds (distance) P-C4' energy: -24.675
flat angles C4'-P-C4' energy: -33.286
flat angles P-C4'-P energy: -23.049
tors. eta vs tors. theta energy: -14.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -310.626869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.626869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.626869 (E_RNA)
where:
Base-Base interactions energy: -218.126
where: short stacking energy: -83.305
Base-Backbone interact. energy: 1.088
local terms energy: -93.588271
where:
bonds (distance) C4'-P energy: -22.490
bonds (distance) P-C4' energy: -24.000
flat angles C4'-P-C4' energy: -28.605
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -8.130
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: 10, replica: 1
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -288.415039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.415039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.415039 (E_RNA)
where:
Base-Base interactions energy: -176.327
where: short stacking energy: -81.363
Base-Backbone interact. energy: 0.243
local terms energy: -112.330758
where:
bonds (distance) C4'-P energy: -21.171
bonds (distance) P-C4' energy: -36.464
flat angles C4'-P-C4' energy: -18.614
flat angles P-C4'-P energy: -17.232
tors. eta vs tors. theta energy: -18.850
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: 5
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -584.096250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.096250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.096250 (E_RNA)
where:
Base-Base interactions energy: -404.604
where: short stacking energy: -183.979
Base-Backbone interact. energy: -0.910
local terms energy: -178.582460
where:
bonds (distance) C4'-P energy: -34.073
bonds (distance) P-C4' energy: -32.607
flat angles C4'-P-C4' energy: -34.340
flat angles P-C4'-P energy: -27.908
tors. eta vs tors. theta energy: -49.654
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: 9
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -567.778803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.778803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.778803 (E_RNA)
where:
Base-Base interactions energy: -396.157
where: short stacking energy: -177.204
Base-Backbone interact. energy: 0.173
local terms energy: -171.795570
where:
bonds (distance) C4'-P energy: -29.886
bonds (distance) P-C4' energy: -31.217
flat angles C4'-P-C4' energy: -36.680
flat angles P-C4'-P energy: -24.659
tors. eta vs tors. theta energy: -49.353
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: 2
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -573.015512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.015512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.015512 (E_RNA)
where:
Base-Base interactions energy: -402.792
where: short stacking energy: -160.778
Base-Backbone interact. energy: 0.931
local terms energy: -171.154466
where:
bonds (distance) C4'-P energy: -33.877
bonds (distance) P-C4' energy: -37.011
flat angles C4'-P-C4' energy: -36.756
flat angles P-C4'-P energy: -22.441
tors. eta vs tors. theta energy: -41.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -536.334138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.334138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.334138 (E_RNA)
where:
Base-Base interactions energy: -375.655
where: short stacking energy: -169.570
Base-Backbone interact. energy: -0.056
local terms energy: -160.622697
where:
bonds (distance) C4'-P energy: -26.752
bonds (distance) P-C4' energy: -28.255
flat angles C4'-P-C4' energy: -35.061
flat angles P-C4'-P energy: -23.727
tors. eta vs tors. theta energy: -46.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -536.819437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.819437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.819437 (E_RNA)
where:
Base-Base interactions energy: -383.894
where: short stacking energy: -159.606
Base-Backbone interact. energy: -0.052
local terms energy: -152.873339
where:
bonds (distance) C4'-P energy: -27.158
bonds (distance) P-C4' energy: -29.878
flat angles C4'-P-C4' energy: -33.069
flat angles P-C4'-P energy: -21.556
tors. eta vs tors. theta energy: -41.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -519.930610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.930610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.930610 (E_RNA)
where:
Base-Base interactions energy: -365.827
where: short stacking energy: -166.224
Base-Backbone interact. energy: -0.080
local terms energy: -154.023762
where:
bonds (distance) C4'-P energy: -24.853
bonds (distance) P-C4' energy: -30.872
flat angles C4'-P-C4' energy: -29.974
flat angles P-C4'-P energy: -24.873
tors. eta vs tors. theta energy: -43.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -461.584603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.584603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.584603 (E_RNA)
where:
Base-Base interactions energy: -323.419
where: short stacking energy: -154.661
Base-Backbone interact. energy: -0.108
local terms energy: -138.056833
where:
bonds (distance) C4'-P energy: -25.760
bonds (distance) P-C4' energy: -27.284
flat angles C4'-P-C4' energy: -27.159
flat angles P-C4'-P energy: -17.691
tors. eta vs tors. theta energy: -40.162
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: 10
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -368.837008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.837008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.837008 (E_RNA)
where:
Base-Base interactions energy: -234.406
where: short stacking energy: -110.148
Base-Backbone interact. energy: -0.374
local terms energy: -134.056951
where:
bonds (distance) C4'-P energy: -25.661
bonds (distance) P-C4' energy: -31.589
flat angles C4'-P-C4' energy: -34.894
flat angles P-C4'-P energy: -18.677
tors. eta vs tors. theta energy: -23.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -384.877542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.877542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.877542 (E_RNA)
where:
Base-Base interactions energy: -245.881
where: short stacking energy: -121.683
Base-Backbone interact. energy: -1.050
local terms energy: -137.946315
where:
bonds (distance) C4'-P energy: -29.982
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -33.541
flat angles P-C4'-P energy: -25.158
tors. eta vs tors. theta energy: -30.654
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: 10, replica: 3
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -283.495035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.495035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.495035 (E_RNA)
where:
Base-Base interactions energy: -170.692
where: short stacking energy: -88.573
Base-Backbone interact. energy: 1.065
local terms energy: -113.867608
where:
bonds (distance) C4'-P energy: -25.336
bonds (distance) P-C4' energy: -30.051
flat angles C4'-P-C4' energy: -31.070
flat angles P-C4'-P energy: -11.968
tors. eta vs tors. theta energy: -15.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -576.554984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.554984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.554984 (E_RNA)
where:
Base-Base interactions energy: -389.058
where: short stacking energy: -179.724
Base-Backbone interact. energy: 1.683
local terms energy: -189.180256
where:
bonds (distance) C4'-P energy: -39.930
bonds (distance) P-C4' energy: -35.121
flat angles C4'-P-C4' energy: -40.014
flat angles P-C4'-P energy: -25.561
tors. eta vs tors. theta energy: -48.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -569.552233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.552233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.552233 (E_RNA)
where:
Base-Base interactions energy: -405.907
where: short stacking energy: -172.467
Base-Backbone interact. energy: -0.469
local terms energy: -163.175780
where:
bonds (distance) C4'-P energy: -29.936
bonds (distance) P-C4' energy: -33.500
flat angles C4'-P-C4' energy: -31.497
flat angles P-C4'-P energy: -25.072
tors. eta vs tors. theta energy: -43.171
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: 9
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -564.114003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.114003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.114003 (E_RNA)
where:
Base-Base interactions energy: -398.909
where: short stacking energy: -163.645
Base-Backbone interact. energy: 0.407
local terms energy: -165.611726
where:
bonds (distance) C4'-P energy: -25.778
bonds (distance) P-C4' energy: -34.684
flat angles C4'-P-C4' energy: -30.309
flat angles P-C4'-P energy: -22.343
tors. eta vs tors. theta energy: -52.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -536.388904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.388904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.388904 (E_RNA)
where:
Base-Base interactions energy: -373.042
where: short stacking energy: -168.953
Base-Backbone interact. energy: -0.665
local terms energy: -162.682750
where:
bonds (distance) C4'-P energy: -32.594
bonds (distance) P-C4' energy: -24.800
flat angles C4'-P-C4' energy: -39.147
flat angles P-C4'-P energy: -22.830
tors. eta vs tors. theta energy: -43.312
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: 7
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -531.817573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.817573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.817573 (E_RNA)
where:
Base-Base interactions energy: -383.780
where: short stacking energy: -158.947
Base-Backbone interact. energy: 0.342
local terms energy: -148.378755
where:
bonds (distance) C4'-P energy: -26.799
bonds (distance) P-C4' energy: -28.256
flat angles C4'-P-C4' energy: -26.224
flat angles P-C4'-P energy: -27.398
tors. eta vs tors. theta energy: -39.701
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: 369
Temperature: 1.150000
Total energy: -515.482344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.482344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.482344 (E_RNA)
where:
Base-Base interactions energy: -371.728
where: short stacking energy: -158.715
Base-Backbone interact. energy: 1.433
local terms energy: -145.187065
where:
bonds (distance) C4'-P energy: -22.195
bonds (distance) P-C4' energy: -25.850
flat angles C4'-P-C4' energy: -31.227
flat angles P-C4'-P energy: -20.911
tors. eta vs tors. theta energy: -45.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -444.396596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.396596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.396596 (E_RNA)
where:
Base-Base interactions energy: -303.336
where: short stacking energy: -146.860
Base-Backbone interact. energy: -0.237
local terms energy: -140.823333
where:
bonds (distance) C4'-P energy: -27.989
bonds (distance) P-C4' energy: -26.211
flat angles C4'-P-C4' energy: -30.611
flat angles P-C4'-P energy: -20.863
tors. eta vs tors. theta energy: -35.149
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: 1
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -404.081181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.081181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.081181 (E_RNA)
where:
Base-Base interactions energy: -258.653
where: short stacking energy: -121.651
Base-Backbone interact. energy: -0.125
local terms energy: -145.303148
where:
bonds (distance) C4'-P energy: -31.881
bonds (distance) P-C4' energy: -31.081
flat angles C4'-P-C4' energy: -36.037
flat angles P-C4'-P energy: -18.334
tors. eta vs tors. theta energy: -27.971
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: 10
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -352.051627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.051627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.051627 (E_RNA)
where:
Base-Base interactions energy: -225.889
where: short stacking energy: -120.836
Base-Backbone interact. energy: -0.694
local terms energy: -125.469052
where:
bonds (distance) C4'-P energy: -23.322
bonds (distance) P-C4' energy: -32.758
flat angles C4'-P-C4' energy: -21.713
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -38.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -272.921319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.921319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.921319 (E_RNA)
where:
Base-Base interactions energy: -163.790
where: short stacking energy: -76.369
Base-Backbone interact. energy: 0.689
local terms energy: -109.819690
where:
bonds (distance) C4'-P energy: -28.155
bonds (distance) P-C4' energy: -30.298
flat angles C4'-P-C4' energy: -22.899
flat angles P-C4'-P energy: -20.135
tors. eta vs tors. theta energy: -8.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -574.556528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.556528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.556528 (E_RNA)
where:
Base-Base interactions energy: -397.897
where: short stacking energy: -167.226
Base-Backbone interact. energy: -0.069
local terms energy: -176.590323
where:
bonds (distance) C4'-P energy: -31.007
bonds (distance) P-C4' energy: -30.027
flat angles C4'-P-C4' energy: -36.349
flat angles P-C4'-P energy: -28.003
tors. eta vs tors. theta energy: -51.204
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: 2
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -582.993995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.993995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.993995 (E_RNA)
where:
Base-Base interactions energy: -409.899
where: short stacking energy: -177.440
Base-Backbone interact. energy: -0.262
local terms energy: -172.832756
where:
bonds (distance) C4'-P energy: -27.345
bonds (distance) P-C4' energy: -36.735
flat angles C4'-P-C4' energy: -39.304
flat angles P-C4'-P energy: -25.605
tors. eta vs tors. theta energy: -43.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -538.119913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.119913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.119913 (E_RNA)
where:
Base-Base interactions energy: -362.448
where: short stacking energy: -162.971
Base-Backbone interact. energy: 0.707
local terms energy: -176.379593
where:
bonds (distance) C4'-P energy: -34.921
bonds (distance) P-C4' energy: -35.490
flat angles C4'-P-C4' energy: -33.189
flat angles P-C4'-P energy: -29.264
tors. eta vs tors. theta energy: -43.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -532.354907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.354907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.354907 (E_RNA)
where:
Base-Base interactions energy: -371.143
where: short stacking energy: -168.450
Base-Backbone interact. energy: -0.395
local terms energy: -160.816418
where:
bonds (distance) C4'-P energy: -25.695
bonds (distance) P-C4' energy: -34.753
flat angles C4'-P-C4' energy: -31.423
flat angles P-C4'-P energy: -24.267
tors. eta vs tors. theta energy: -44.679
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: 8
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -530.032669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.032669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.032669 (E_RNA)
where:
Base-Base interactions energy: -370.662
where: short stacking energy: -146.390
Base-Backbone interact. energy: -1.699
local terms energy: -157.671114
where:
bonds (distance) C4'-P energy: -31.383
bonds (distance) P-C4' energy: -32.122
flat angles C4'-P-C4' energy: -30.991
flat angles P-C4'-P energy: -21.741
tors. eta vs tors. theta energy: -41.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -521.240299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.240299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.240299 (E_RNA)
where:
Base-Base interactions energy: -384.489
where: short stacking energy: -138.076
Base-Backbone interact. energy: 1.382
local terms energy: -138.133949
where:
bonds (distance) C4'-P energy: -35.290
bonds (distance) P-C4' energy: -26.708
flat angles C4'-P-C4' energy: -27.786
flat angles P-C4'-P energy: -20.058
tors. eta vs tors. theta energy: -28.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -411.391821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.391821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.391821 (E_RNA)
where:
Base-Base interactions energy: -258.381
where: short stacking energy: -138.433
Base-Backbone interact. energy: -0.614
local terms energy: -152.395940
where:
bonds (distance) C4'-P energy: -30.572
bonds (distance) P-C4' energy: -26.678
flat angles C4'-P-C4' energy: -37.129
flat angles P-C4'-P energy: -21.473
tors. eta vs tors. theta energy: -36.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -444.362337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.362337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.362337 (E_RNA)
where:
Base-Base interactions energy: -328.139
where: short stacking energy: -137.581
Base-Backbone interact. energy: -1.977
local terms energy: -114.246321
where:
bonds (distance) C4'-P energy: -21.856
bonds (distance) P-C4' energy: -20.491
flat angles C4'-P-C4' energy: -29.350
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -34.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -304.419964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.419964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.419964 (E_RNA)
where:
Base-Base interactions energy: -191.274
where: short stacking energy: -94.701
Base-Backbone interact. energy: -0.118
local terms energy: -113.028000
where:
bonds (distance) C4'-P energy: -30.071
bonds (distance) P-C4' energy: -31.260
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -19.607
tors. eta vs tors. theta energy: -13.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -285.173376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.173376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.173376 (E_RNA)
where:
Base-Base interactions energy: -186.172
where: short stacking energy: -88.017
Base-Backbone interact. energy: 3.031
local terms energy: -102.033198
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -29.027
flat angles C4'-P-C4' energy: -21.539
flat angles P-C4'-P energy: -16.640
tors. eta vs tors. theta energy: -18.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -580.208648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.208648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.208648 (E_RNA)
where:
Base-Base interactions energy: -405.683
where: short stacking energy: -174.638
Base-Backbone interact. energy: -0.421
local terms energy: -174.105457
where:
bonds (distance) C4'-P energy: -32.072
bonds (distance) P-C4' energy: -35.050
flat angles C4'-P-C4' energy: -35.954
flat angles P-C4'-P energy: -22.628
tors. eta vs tors. theta energy: -48.401
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: 2
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -589.621876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.621876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.621876 (E_RNA)
where:
Base-Base interactions energy: -418.361
where: short stacking energy: -177.266
Base-Backbone interact. energy: -0.008
local terms energy: -171.252578
where:
bonds (distance) C4'-P energy: -31.674
bonds (distance) P-C4' energy: -34.168
flat angles C4'-P-C4' energy: -34.150
flat angles P-C4'-P energy: -27.208
tors. eta vs tors. theta energy: -44.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -529.842096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.842096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.842096 (E_RNA)
where:
Base-Base interactions energy: -364.106
where: short stacking energy: -176.155
Base-Backbone interact. energy: 0.837
local terms energy: -166.572941
where:
bonds (distance) C4'-P energy: -29.542
bonds (distance) P-C4' energy: -31.781
flat angles C4'-P-C4' energy: -32.629
flat angles P-C4'-P energy: -24.299
tors. eta vs tors. theta energy: -48.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -525.618398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.618398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.618398 (E_RNA)
where:
Base-Base interactions energy: -377.856
where: short stacking energy: -158.974
Base-Backbone interact. energy: -0.172
local terms energy: -147.590742
where:
bonds (distance) C4'-P energy: -27.687
bonds (distance) P-C4' energy: -26.642
flat angles C4'-P-C4' energy: -28.749
flat angles P-C4'-P energy: -22.194
tors. eta vs tors. theta energy: -42.319
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: 9
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -509.380412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.380412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.380412 (E_RNA)
where:
Base-Base interactions energy: -356.384
where: short stacking energy: -148.779
Base-Backbone interact. energy: -0.390
local terms energy: -152.606626
where:
bonds (distance) C4'-P energy: -28.752
bonds (distance) P-C4' energy: -31.662
flat angles C4'-P-C4' energy: -31.399
flat angles P-C4'-P energy: -22.018
tors. eta vs tors. theta energy: -38.774
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: 6, replica: 7
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -510.864941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.864941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.864941 (E_RNA)
where:
Base-Base interactions energy: -365.847
where: short stacking energy: -148.453
Base-Backbone interact. energy: 1.676
local terms energy: -146.694145
where:
bonds (distance) C4'-P energy: -31.459
bonds (distance) P-C4' energy: -31.691
flat angles C4'-P-C4' energy: -31.463
flat angles P-C4'-P energy: -18.636
tors. eta vs tors. theta energy: -33.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -407.713765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.713765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.713765 (E_RNA)
where:
Base-Base interactions energy: -280.995
where: short stacking energy: -138.926
Base-Backbone interact. energy: -0.193
local terms energy: -126.526518
where:
bonds (distance) C4'-P energy: -20.284
bonds (distance) P-C4' energy: -21.238
flat angles C4'-P-C4' energy: -31.381
flat angles P-C4'-P energy: -16.494
tors. eta vs tors. theta energy: -37.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -444.785439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.785439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.785439 (E_RNA)
where:
Base-Base interactions energy: -307.155
where: short stacking energy: -141.977
Base-Backbone interact. energy: 1.479
local terms energy: -139.109151
where:
bonds (distance) C4'-P energy: -19.732
bonds (distance) P-C4' energy: -32.416
flat angles C4'-P-C4' energy: -30.393
flat angles P-C4'-P energy: -21.374
tors. eta vs tors. theta energy: -35.195
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: 10
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -333.296593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.296593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.296593 (E_RNA)
where:
Base-Base interactions energy: -204.308
where: short stacking energy: -101.350
Base-Backbone interact. energy: -0.736
local terms energy: -128.252161
where:
bonds (distance) C4'-P energy: -23.719
bonds (distance) P-C4' energy: -30.391
flat angles C4'-P-C4' energy: -29.078
flat angles P-C4'-P energy: -24.291
tors. eta vs tors. theta energy: -20.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -278.509617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.509617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.509617 (E_RNA)
where:
Base-Base interactions energy: -165.306
where: short stacking energy: -78.908
Base-Backbone interact. energy: -1.065
local terms energy: -112.138047
where:
bonds (distance) C4'-P energy: -25.412
bonds (distance) P-C4' energy: -28.644
flat angles C4'-P-C4' energy: -25.780
flat angles P-C4'-P energy: -20.517
tors. eta vs tors. theta energy: -11.786
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: 1, replica: 2
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -595.068307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.068307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.068307 (E_RNA)
where:
Base-Base interactions energy: -423.092
where: short stacking energy: -175.681
Base-Backbone interact. energy: -0.283
local terms energy: -171.693736
where:
bonds (distance) C4'-P energy: -29.557
bonds (distance) P-C4' energy: -34.975
flat angles C4'-P-C4' energy: -37.771
flat angles P-C4'-P energy: -24.984
tors. eta vs tors. theta energy: -44.407
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: 372
Temperature: 0.950000
Total energy: -593.669258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.669258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.669258 (E_RNA)
where:
Base-Base interactions energy: -404.234
where: short stacking energy: -177.327
Base-Backbone interact. energy: -0.632
local terms energy: -188.803251
where:
bonds (distance) C4'-P energy: -37.822
bonds (distance) P-C4' energy: -32.265
flat angles C4'-P-C4' energy: -39.364
flat angles P-C4'-P energy: -28.559
tors. eta vs tors. theta energy: -50.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -548.316854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.316854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.316854 (E_RNA)
where:
Base-Base interactions energy: -366.376
where: short stacking energy: -181.648
Base-Backbone interact. energy: -1.188
local terms energy: -180.753358
where:
bonds (distance) C4'-P energy: -30.244
bonds (distance) P-C4' energy: -33.393
flat angles C4'-P-C4' energy: -38.186
flat angles P-C4'-P energy: -26.314
tors. eta vs tors. theta energy: -52.616
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: 8
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -527.201759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.201759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.201759 (E_RNA)
where:
Base-Base interactions energy: -365.353
where: short stacking energy: -156.380
Base-Backbone interact. energy: -0.193
local terms energy: -161.654978
where:
bonds (distance) C4'-P energy: -31.920
bonds (distance) P-C4' energy: -25.475
flat angles C4'-P-C4' energy: -34.598
flat angles P-C4'-P energy: -26.549
tors. eta vs tors. theta energy: -43.114
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: 7
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -510.866646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.866646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.866646 (E_RNA)
where:
Base-Base interactions energy: -356.996
where: short stacking energy: -146.455
Base-Backbone interact. energy: -0.804
local terms energy: -153.066770
where:
bonds (distance) C4'-P energy: -31.706
bonds (distance) P-C4' energy: -27.766
flat angles C4'-P-C4' energy: -32.934
flat angles P-C4'-P energy: -20.905
tors. eta vs tors. theta energy: -39.755
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: 6, replica: 9
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -493.182756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.182756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.182756 (E_RNA)
where:
Base-Base interactions energy: -342.851
where: short stacking energy: -152.020
Base-Backbone interact. energy: -0.650
local terms energy: -149.681430
where:
bonds (distance) C4'-P energy: -28.766
bonds (distance) P-C4' energy: -29.479
flat angles C4'-P-C4' energy: -32.279
flat angles P-C4'-P energy: -17.369
tors. eta vs tors. theta energy: -41.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -400.379147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.379147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.379147 (E_RNA)
where:
Base-Base interactions energy: -267.073
where: short stacking energy: -131.451
Base-Backbone interact. energy: 3.471
local terms energy: -136.777308
where:
bonds (distance) C4'-P energy: -30.957
bonds (distance) P-C4' energy: -29.109
flat angles C4'-P-C4' energy: -26.966
flat angles P-C4'-P energy: -19.211
tors. eta vs tors. theta energy: -30.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -445.290294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.290294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.290294 (E_RNA)
where:
Base-Base interactions energy: -314.386
where: short stacking energy: -128.749
Base-Backbone interact. energy: -0.767
local terms energy: -130.137047
where:
bonds (distance) C4'-P energy: -25.769
bonds (distance) P-C4' energy: -29.121
flat angles C4'-P-C4' energy: -30.105
flat angles P-C4'-P energy: -15.924
tors. eta vs tors. theta energy: -29.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -308.602889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.602889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.602889 (E_RNA)
where:
Base-Base interactions energy: -203.868
where: short stacking energy: -97.179
Base-Backbone interact. energy: -0.342
local terms energy: -104.392462
where:
bonds (distance) C4'-P energy: -28.897
bonds (distance) P-C4' energy: -20.099
flat angles C4'-P-C4' energy: -28.350
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -14.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -292.147851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.147851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.147851 (E_RNA)
where:
Base-Base interactions energy: -188.410
where: short stacking energy: -96.769
Base-Backbone interact. energy: -0.289
local terms energy: -103.449484
where:
bonds (distance) C4'-P energy: -27.135
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -27.004
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -19.147
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: 2
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -593.228913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.228913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.228913 (E_RNA)
where:
Base-Base interactions energy: -413.771
where: short stacking energy: -171.347
Base-Backbone interact. energy: -0.607
local terms energy: -178.850930
where:
bonds (distance) C4'-P energy: -31.402
bonds (distance) P-C4' energy: -38.220
flat angles C4'-P-C4' energy: -35.708
flat angles P-C4'-P energy: -28.666
tors. eta vs tors. theta energy: -44.855
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: 6
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -557.790565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.790565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.790565 (E_RNA)
where:
Base-Base interactions energy: -376.723
where: short stacking energy: -172.653
Base-Backbone interact. energy: -0.523
local terms energy: -180.544755
where:
bonds (distance) C4'-P energy: -31.608
bonds (distance) P-C4' energy: -28.188
flat angles C4'-P-C4' energy: -38.757
flat angles P-C4'-P energy: -27.305
tors. eta vs tors. theta energy: -54.686
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: 5
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -554.523273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.523273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.523273 (E_RNA)
where:
Base-Base interactions energy: -393.844
where: short stacking energy: -167.505
Base-Backbone interact. energy: -0.448
local terms energy: -160.231101
where:
bonds (distance) C4'-P energy: -31.529
bonds (distance) P-C4' energy: -29.403
flat angles C4'-P-C4' energy: -35.695
flat angles P-C4'-P energy: -22.058
tors. eta vs tors. theta energy: -41.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -540.303789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.303789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.303789 (E_RNA)
where:
Base-Base interactions energy: -379.248
where: short stacking energy: -160.704
Base-Backbone interact. energy: -0.699
local terms energy: -160.356955
where:
bonds (distance) C4'-P energy: -32.274
bonds (distance) P-C4' energy: -29.577
flat angles C4'-P-C4' energy: -31.541
flat angles P-C4'-P energy: -22.730
tors. eta vs tors. theta energy: -44.235
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: 7
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -517.167174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.167174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.167174 (E_RNA)
where:
Base-Base interactions energy: -376.969
where: short stacking energy: -136.493
Base-Backbone interact. energy: -0.311
local terms energy: -139.886834
where:
bonds (distance) C4'-P energy: -20.742
bonds (distance) P-C4' energy: -31.575
flat angles C4'-P-C4' energy: -24.328
flat angles P-C4'-P energy: -28.993
tors. eta vs tors. theta energy: -34.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -524.890840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.890840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.890840 (E_RNA)
where:
Base-Base interactions energy: -371.304
where: short stacking energy: -165.858
Base-Backbone interact. energy: -0.362
local terms energy: -153.224954
where:
bonds (distance) C4'-P energy: -32.264
bonds (distance) P-C4' energy: -32.252
flat angles C4'-P-C4' energy: -30.856
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -44.722
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: 1
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -393.345667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.345667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.345667 (E_RNA)
where:
Base-Base interactions energy: -244.322
where: short stacking energy: -127.574
Base-Backbone interact. energy: 1.930
local terms energy: -150.953616
where:
bonds (distance) C4'-P energy: -28.667
bonds (distance) P-C4' energy: -35.328
flat angles C4'-P-C4' energy: -36.334
flat angles P-C4'-P energy: -18.689
tors. eta vs tors. theta energy: -31.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -435.607561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.607561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.607561 (E_RNA)
where:
Base-Base interactions energy: -301.636
where: short stacking energy: -135.941
Base-Backbone interact. energy: 1.521
local terms energy: -135.492730
where:
bonds (distance) C4'-P energy: -28.813
bonds (distance) P-C4' energy: -26.551
flat angles C4'-P-C4' energy: -27.793
flat angles P-C4'-P energy: -18.045
tors. eta vs tors. theta energy: -34.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -316.346364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.346364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.346364 (E_RNA)
where:
Base-Base interactions energy: -204.556
where: short stacking energy: -104.880
Base-Backbone interact. energy: 0.508
local terms energy: -112.298454
where:
bonds (distance) C4'-P energy: -24.430
bonds (distance) P-C4' energy: -24.201
flat angles C4'-P-C4' energy: -28.402
flat angles P-C4'-P energy: -14.610
tors. eta vs tors. theta energy: -20.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -294.259145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.259145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.259145 (E_RNA)
where:
Base-Base interactions energy: -186.386
where: short stacking energy: -87.339
Base-Backbone interact. energy: -0.658
local terms energy: -107.214233
where:
bonds (distance) C4'-P energy: -29.205
bonds (distance) P-C4' energy: -24.788
flat angles C4'-P-C4' energy: -31.107
flat angles P-C4'-P energy: -14.555
tors. eta vs tors. theta energy: -7.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -585.760775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.760775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.760775 (E_RNA)
where:
Base-Base interactions energy: -424.211
where: short stacking energy: -173.268
Base-Backbone interact. energy: -0.974
local terms energy: -160.576160
where:
bonds (distance) C4'-P energy: -30.266
bonds (distance) P-C4' energy: -24.569
flat angles C4'-P-C4' energy: -35.593
flat angles P-C4'-P energy: -23.953
tors. eta vs tors. theta energy: -46.195
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: 6
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -549.631233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.631233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.631233 (E_RNA)
where:
Base-Base interactions energy: -376.617
where: short stacking energy: -177.731
Base-Backbone interact. energy: -1.560
local terms energy: -171.454162
where:
bonds (distance) C4'-P energy: -34.010
bonds (distance) P-C4' energy: -28.791
flat angles C4'-P-C4' energy: -33.713
flat angles P-C4'-P energy: -24.692
tors. eta vs tors. theta energy: -50.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -552.953639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.953639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.953639 (E_RNA)
where:
Base-Base interactions energy: -380.359
where: short stacking energy: -168.817
Base-Backbone interact. energy: -1.048
local terms energy: -171.546867
where:
bonds (distance) C4'-P energy: -32.489
bonds (distance) P-C4' energy: -34.746
flat angles C4'-P-C4' energy: -30.956
flat angles P-C4'-P energy: -27.526
tors. eta vs tors. theta energy: -45.829
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: 374
Temperature: 1.050000
Total energy: -556.767644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.767644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.767644 (E_RNA)
where:
Base-Base interactions energy: -387.249
where: short stacking energy: -172.745
Base-Backbone interact. energy: -0.256
local terms energy: -169.262533
where:
bonds (distance) C4'-P energy: -26.790
bonds (distance) P-C4' energy: -31.116
flat angles C4'-P-C4' energy: -37.326
flat angles P-C4'-P energy: -26.340
tors. eta vs tors. theta energy: -47.690
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: 9
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -534.701952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.701952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.701952 (E_RNA)
where:
Base-Base interactions energy: -374.863
where: short stacking energy: -155.702
Base-Backbone interact. energy: -0.124
local terms energy: -159.714985
where:
bonds (distance) C4'-P energy: -32.715
bonds (distance) P-C4' energy: -25.315
flat angles C4'-P-C4' energy: -35.171
flat angles P-C4'-P energy: -20.919
tors. eta vs tors. theta energy: -45.596
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: 6, replica: 7
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -520.851153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.851153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.851153 (E_RNA)
where:
Base-Base interactions energy: -385.231
where: short stacking energy: -151.374
Base-Backbone interact. energy: -1.448
local terms energy: -134.172936
where:
bonds (distance) C4'-P energy: -24.487
bonds (distance) P-C4' energy: -26.061
flat angles C4'-P-C4' energy: -28.749
flat angles P-C4'-P energy: -17.948
tors. eta vs tors. theta energy: -36.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -461.312935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.312935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.312935 (E_RNA)
where:
Base-Base interactions energy: -317.317
where: short stacking energy: -146.360
Base-Backbone interact. energy: -0.182
local terms energy: -143.813879
where:
bonds (distance) C4'-P energy: -28.778
bonds (distance) P-C4' energy: -36.635
flat angles C4'-P-C4' energy: -27.291
flat angles P-C4'-P energy: -13.643
tors. eta vs tors. theta energy: -37.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -387.908396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.908396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.908396 (E_RNA)
where:
Base-Base interactions energy: -253.919
where: short stacking energy: -134.835
Base-Backbone interact. energy: 0.650
local terms energy: -134.640190
where:
bonds (distance) C4'-P energy: -22.877
bonds (distance) P-C4' energy: -32.765
flat angles C4'-P-C4' energy: -27.385
flat angles P-C4'-P energy: -22.450
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: 9, replica: 3
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -370.126135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.126135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.126135 (E_RNA)
where:
Base-Base interactions energy: -240.093
where: short stacking energy: -110.144
Base-Backbone interact. energy: -0.166
local terms energy: -129.866475
where:
bonds (distance) C4'-P energy: -25.199
bonds (distance) P-C4' energy: -22.937
flat angles C4'-P-C4' energy: -30.539
flat angles P-C4'-P energy: -20.757
tors. eta vs tors. theta energy: -30.434
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: 10, replica: 10
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -355.343992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.343992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.343992 (E_RNA)
where:
Base-Base interactions energy: -237.578
where: short stacking energy: -108.049
Base-Backbone interact. energy: 0.133
local terms energy: -117.898937
where:
bonds (distance) C4'-P energy: -31.819
bonds (distance) P-C4' energy: -26.622
flat angles C4'-P-C4' energy: -19.165
flat angles P-C4'-P energy: -18.733
tors. eta vs tors. theta energy: -21.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -593.112038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.112038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.112038 (E_RNA)
where:
Base-Base interactions energy: -420.000
where: short stacking energy: -172.678
Base-Backbone interact. energy: 0.950
local terms energy: -174.061517
where:
bonds (distance) C4'-P energy: -34.227
bonds (distance) P-C4' energy: -33.647
flat angles C4'-P-C4' energy: -35.476
flat angles P-C4'-P energy: -26.822
tors. eta vs tors. theta energy: -43.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -569.537404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.537404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.537404 (E_RNA)
where:
Base-Base interactions energy: -385.062
where: short stacking energy: -163.044
Base-Backbone interact. energy: -0.171
local terms energy: -184.303903
where:
bonds (distance) C4'-P energy: -32.166
bonds (distance) P-C4' energy: -38.170
flat angles C4'-P-C4' energy: -38.800
flat angles P-C4'-P energy: -26.736
tors. eta vs tors. theta energy: -48.432
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: 6
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -536.429819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.429819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.429819 (E_RNA)
where:
Base-Base interactions energy: -368.751
where: short stacking energy: -163.141
Base-Backbone interact. energy: -0.065
local terms energy: -167.613039
where:
bonds (distance) C4'-P energy: -33.305
bonds (distance) P-C4' energy: -33.373
flat angles C4'-P-C4' energy: -34.322
flat angles P-C4'-P energy: -22.734
tors. eta vs tors. theta energy: -43.879
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: 5
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -554.245577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.245577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.245577 (E_RNA)
where:
Base-Base interactions energy: -380.747
where: short stacking energy: -169.089
Base-Backbone interact. energy: -0.065
local terms energy: -173.434200
where:
bonds (distance) C4'-P energy: -38.671
bonds (distance) P-C4' energy: -31.315
flat angles C4'-P-C4' energy: -33.712
flat angles P-C4'-P energy: -24.661
tors. eta vs tors. theta energy: -45.076
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: 5, replica: 9
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -526.702911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.702911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.702911 (E_RNA)
where:
Base-Base interactions energy: -366.658
where: short stacking energy: -160.178
Base-Backbone interact. energy: -0.428
local terms energy: -159.617039
where:
bonds (distance) C4'-P energy: -28.825
bonds (distance) P-C4' energy: -30.037
flat angles C4'-P-C4' energy: -33.732
flat angles P-C4'-P energy: -20.270
tors. eta vs tors. theta energy: -46.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -508.294516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.294516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.294516 (E_RNA)
where:
Base-Base interactions energy: -361.442
where: short stacking energy: -131.971
Base-Backbone interact. energy: -1.418
local terms energy: -145.434629
where:
bonds (distance) C4'-P energy: -18.700
bonds (distance) P-C4' energy: -36.722
flat angles C4'-P-C4' energy: -33.669
flat angles P-C4'-P energy: -25.857
tors. eta vs tors. theta energy: -30.487
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: 4
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -470.988456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.988456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.988456 (E_RNA)
where:
Base-Base interactions energy: -327.654
where: short stacking energy: -151.941
Base-Backbone interact. energy: 0.186
local terms energy: -143.520187
where:
bonds (distance) C4'-P energy: -25.418
bonds (distance) P-C4' energy: -32.398
flat angles C4'-P-C4' energy: -23.704
flat angles P-C4'-P energy: -23.221
tors. eta vs tors. theta energy: -38.779
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: 8, replica: 3
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -384.094278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.094278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.094278 (E_RNA)
where:
Base-Base interactions energy: -259.636
where: short stacking energy: -123.397
Base-Backbone interact. energy: -0.255
local terms energy: -124.203010
where:
bonds (distance) C4'-P energy: -20.786
bonds (distance) P-C4' energy: -29.490
flat angles C4'-P-C4' energy: -25.713
flat angles P-C4'-P energy: -15.173
tors. eta vs tors. theta energy: -33.042
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: 9, replica: 1
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -392.709458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.709458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.709458 (E_RNA)
where:
Base-Base interactions energy: -254.796
where: short stacking energy: -122.001
Base-Backbone interact. energy: 0.216
local terms energy: -138.129084
where:
bonds (distance) C4'-P energy: -33.409
bonds (distance) P-C4' energy: -30.319
flat angles C4'-P-C4' energy: -26.610
flat angles P-C4'-P energy: -13.473
tors. eta vs tors. theta energy: -34.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -317.654054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.654054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.654054 (E_RNA)
where:
Base-Base interactions energy: -209.303
where: short stacking energy: -84.950
Base-Backbone interact. energy: 0.660
local terms energy: -109.011089
where:
bonds (distance) C4'-P energy: -27.149
bonds (distance) P-C4' energy: -23.064
flat angles C4'-P-C4' energy: -26.651
flat angles P-C4'-P energy: -14.011
tors. eta vs tors. theta energy: -18.137
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: 1, replica: 8
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -571.130307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.130307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.130307 (E_RNA)
where:
Base-Base interactions energy: -393.801
where: short stacking energy: -175.095
Base-Backbone interact. energy: 0.863
local terms energy: -178.191670
where:
bonds (distance) C4'-P energy: -35.920
bonds (distance) P-C4' energy: -33.070
flat angles C4'-P-C4' energy: -34.120
flat angles P-C4'-P energy: -26.605
tors. eta vs tors. theta energy: -48.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -590.995843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.995843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.995843 (E_RNA)
where:
Base-Base interactions energy: -418.904
where: short stacking energy: -168.459
Base-Backbone interact. energy: -0.943
local terms energy: -171.149242
where:
bonds (distance) C4'-P energy: -27.394
bonds (distance) P-C4' energy: -36.239
flat angles C4'-P-C4' energy: -32.971
flat angles P-C4'-P energy: -26.673
tors. eta vs tors. theta energy: -47.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -568.400712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.400712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.400712 (E_RNA)
where:
Base-Base interactions energy: -398.132
where: short stacking energy: -181.482
Base-Backbone interact. energy: -0.019
local terms energy: -170.249713
where:
bonds (distance) C4'-P energy: -36.540
bonds (distance) P-C4' energy: -23.695
flat angles C4'-P-C4' energy: -34.650
flat angles P-C4'-P energy: -25.959
tors. eta vs tors. theta energy: -49.405
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: 6
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -526.178497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.178497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.178497 (E_RNA)
where:
Base-Base interactions energy: -360.834
where: short stacking energy: -165.534
Base-Backbone interact. energy: -0.487
local terms energy: -164.857243
where:
bonds (distance) C4'-P energy: -25.342
bonds (distance) P-C4' energy: -28.667
flat angles C4'-P-C4' energy: -32.878
flat angles P-C4'-P energy: -25.597
tors. eta vs tors. theta energy: -52.373
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: 9
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -524.911062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.911062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.911062 (E_RNA)
where:
Base-Base interactions energy: -366.818
where: short stacking energy: -159.322
Base-Backbone interact. energy: -0.297
local terms energy: -157.796679
where:
bonds (distance) C4'-P energy: -31.034
bonds (distance) P-C4' energy: -32.605
flat angles C4'-P-C4' energy: -31.039
flat angles P-C4'-P energy: -16.569
tors. eta vs tors. theta energy: -46.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -523.202493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.202493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.202493 (E_RNA)
where:
Base-Base interactions energy: -372.436
where: short stacking energy: -143.192
Base-Backbone interact. energy: -0.313
local terms energy: -150.453986
where:
bonds (distance) C4'-P energy: -28.245
bonds (distance) P-C4' energy: -28.601
flat angles C4'-P-C4' energy: -33.835
flat angles P-C4'-P energy: -26.025
tors. eta vs tors. theta energy: -33.748
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: 4
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -455.574685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.574685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.574685 (E_RNA)
where:
Base-Base interactions energy: -309.656
where: short stacking energy: -135.214
Base-Backbone interact. energy: 0.353
local terms energy: -146.271410
where:
bonds (distance) C4'-P energy: -27.692
bonds (distance) P-C4' energy: -32.845
flat angles C4'-P-C4' energy: -27.299
flat angles P-C4'-P energy: -23.655
tors. eta vs tors. theta energy: -34.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -361.699541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.699541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.699541 (E_RNA)
where:
Base-Base interactions energy: -253.566
where: short stacking energy: -122.171
Base-Backbone interact. energy: 1.007
local terms energy: -109.140637
where:
bonds (distance) C4'-P energy: -19.543
bonds (distance) P-C4' energy: -26.069
flat angles C4'-P-C4' energy: -27.705
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -27.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -385.927331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.927331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.927331 (E_RNA)
where:
Base-Base interactions energy: -249.529
where: short stacking energy: -122.784
Base-Backbone interact. energy: 2.019
local terms energy: -138.416982
where:
bonds (distance) C4'-P energy: -23.083
bonds (distance) P-C4' energy: -35.919
flat angles C4'-P-C4' energy: -28.750
flat angles P-C4'-P energy: -17.575
tors. eta vs tors. theta energy: -33.090
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: 10
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -315.316065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.316065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.316065 (E_RNA)
where:
Base-Base interactions energy: -189.162
where: short stacking energy: -95.696
Base-Backbone interact. energy: -0.267
local terms energy: -125.886667
where:
bonds (distance) C4'-P energy: -27.472
bonds (distance) P-C4' energy: -29.681
flat angles C4'-P-C4' energy: -22.647
flat angles P-C4'-P energy: -24.295
tors. eta vs tors. theta energy: -21.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -575.114275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.114275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.114275 (E_RNA)
where:
Base-Base interactions energy: -406.512
where: short stacking energy: -178.979
Base-Backbone interact. energy: -0.015
local terms energy: -168.587225
where:
bonds (distance) C4'-P energy: -32.900
bonds (distance) P-C4' energy: -32.818
flat angles C4'-P-C4' energy: -34.273
flat angles P-C4'-P energy: -15.327
tors. eta vs tors. theta energy: -53.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -583.629077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.629077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.629077 (E_RNA)
where:
Base-Base interactions energy: -416.440
where: short stacking energy: -165.915
Base-Backbone interact. energy: -1.122
local terms energy: -166.066927
where:
bonds (distance) C4'-P energy: -32.615
bonds (distance) P-C4' energy: -33.275
flat angles C4'-P-C4' energy: -35.497
flat angles P-C4'-P energy: -26.146
tors. eta vs tors. theta energy: -38.534
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: 3, replica: 5
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -557.940846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.940846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.940846 (E_RNA)
where:
Base-Base interactions energy: -397.964
where: short stacking energy: -180.577
Base-Backbone interact. energy: -0.181
local terms energy: -159.796229
where:
bonds (distance) C4'-P energy: -32.698
bonds (distance) P-C4' energy: -22.237
flat angles C4'-P-C4' energy: -33.148
flat angles P-C4'-P energy: -24.056
tors. eta vs tors. theta energy: -47.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -538.247105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.247105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.247105 (E_RNA)
where:
Base-Base interactions energy: -372.196
where: short stacking energy: -171.933
Base-Backbone interact. energy: 0.363
local terms energy: -166.413923
where:
bonds (distance) C4'-P energy: -30.180
bonds (distance) P-C4' energy: -21.653
flat angles C4'-P-C4' energy: -35.866
flat angles P-C4'-P energy: -25.851
tors. eta vs tors. theta energy: -52.864
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: 9
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -518.493404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.493404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.493404 (E_RNA)
where:
Base-Base interactions energy: -354.420
where: short stacking energy: -154.428
Base-Backbone interact. energy: 0.332
local terms energy: -164.405629
where:
bonds (distance) C4'-P energy: -27.586
bonds (distance) P-C4' energy: -36.976
flat angles C4'-P-C4' energy: -35.701
flat angles P-C4'-P energy: -19.252
tors. eta vs tors. theta energy: -44.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -514.847552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.847552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.847552 (E_RNA)
where:
Base-Base interactions energy: -365.369
where: short stacking energy: -149.984
Base-Backbone interact. energy: -0.987
local terms energy: -148.491039
where:
bonds (distance) C4'-P energy: -28.221
bonds (distance) P-C4' energy: -31.337
flat angles C4'-P-C4' energy: -29.996
flat angles P-C4'-P energy: -22.875
tors. eta vs tors. theta energy: -36.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -451.803655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.803655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.803655 (E_RNA)
where:
Base-Base interactions energy: -323.138
where: short stacking energy: -134.911
Base-Backbone interact. energy: -0.140
local terms energy: -128.526048
where:
bonds (distance) C4'-P energy: -20.977
bonds (distance) P-C4' energy: -24.046
flat angles C4'-P-C4' energy: -28.472
flat angles P-C4'-P energy: -21.027
tors. eta vs tors. theta energy: -34.004
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: 8, replica: 1
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -382.530495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.530495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.530495 (E_RNA)
where:
Base-Base interactions energy: -243.977
where: short stacking energy: -117.199
Base-Backbone interact. energy: -0.043
local terms energy: -138.510261
where:
bonds (distance) C4'-P energy: -29.671
bonds (distance) P-C4' energy: -30.888
flat angles C4'-P-C4' energy: -29.348
flat angles P-C4'-P energy: -24.434
tors. eta vs tors. theta energy: -24.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -359.599574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.599574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.599574 (E_RNA)
where:
Base-Base interactions energy: -233.802
where: short stacking energy: -112.790
Base-Backbone interact. energy: -0.224
local terms energy: -125.573201
where:
bonds (distance) C4'-P energy: -20.578
bonds (distance) P-C4' energy: -28.894
flat angles C4'-P-C4' energy: -31.010
flat angles P-C4'-P energy: -16.633
tors. eta vs tors. theta energy: -28.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -273.674966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.674966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.674966 (E_RNA)
where:
Base-Base interactions energy: -159.988
where: short stacking energy: -78.811
Base-Backbone interact. energy: -0.486
local terms energy: -113.201444
where:
bonds (distance) C4'-P energy: -28.861
bonds (distance) P-C4' energy: -26.958
flat angles C4'-P-C4' energy: -21.403
flat angles P-C4'-P energy: -23.080
tors. eta vs tors. theta energy: -12.899
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: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -589.395467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.395467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.395467 (E_RNA)
where:
Base-Base interactions energy: -426.959
where: short stacking energy: -177.505
Base-Backbone interact. energy: 0.055
local terms energy: -162.491370
where:
bonds (distance) C4'-P energy: -28.341
bonds (distance) P-C4' energy: -34.736
flat angles C4'-P-C4' energy: -32.730
flat angles P-C4'-P energy: -25.076
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: 2, replica: 8
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -564.167473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.167473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.167473 (E_RNA)
where:
Base-Base interactions energy: -386.314
where: short stacking energy: -177.190
Base-Backbone interact. energy: -1.206
local terms energy: -176.647267
where:
bonds (distance) C4'-P energy: -32.995
bonds (distance) P-C4' energy: -31.879
flat angles C4'-P-C4' energy: -35.094
flat angles P-C4'-P energy: -24.927
tors. eta vs tors. theta energy: -51.752
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: 5
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -562.872183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.872183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.872183 (E_RNA)
where:
Base-Base interactions energy: -391.375
where: short stacking energy: -172.142
Base-Backbone interact. energy: -0.426
local terms energy: -171.070503
where:
bonds (distance) C4'-P energy: -29.584
bonds (distance) P-C4' energy: -27.853
flat angles C4'-P-C4' energy: -36.347
flat angles P-C4'-P energy: -26.476
tors. eta vs tors. theta energy: -50.810
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: 4, replica: 6
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -533.449531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.449531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.449531 (E_RNA)
where:
Base-Base interactions energy: -368.811
where: short stacking energy: -181.870
Base-Backbone interact. energy: -0.857
local terms energy: -163.781749
where:
bonds (distance) C4'-P energy: -25.241
bonds (distance) P-C4' energy: -34.456
flat angles C4'-P-C4' energy: -37.831
flat angles P-C4'-P energy: -21.340
tors. eta vs tors. theta energy: -44.914
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: 7
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -509.323392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.323392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.323392 (E_RNA)
where:
Base-Base interactions energy: -362.845
where: short stacking energy: -155.833
Base-Backbone interact. energy: -1.508
local terms energy: -144.970130
where:
bonds (distance) C4'-P energy: -33.439
bonds (distance) P-C4' energy: -24.561
flat angles C4'-P-C4' energy: -30.297
flat angles P-C4'-P energy: -19.029
tors. eta vs tors. theta energy: -37.644
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: 9
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -497.757901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.757901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.757901 (E_RNA)
where:
Base-Base interactions energy: -350.967
where: short stacking energy: -157.850
Base-Backbone interact. energy: 0.767
local terms energy: -147.558415
where:
bonds (distance) C4'-P energy: -27.855
bonds (distance) P-C4' energy: -34.621
flat angles C4'-P-C4' energy: -31.261
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -41.409
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: 1
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -388.646971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.646971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.646971 (E_RNA)
where:
Base-Base interactions energy: -241.626
where: short stacking energy: -116.358
Base-Backbone interact. energy: -0.338
local terms energy: -146.683551
where:
bonds (distance) C4'-P energy: -34.784
bonds (distance) P-C4' energy: -34.498
flat angles C4'-P-C4' energy: -29.489
flat angles P-C4'-P energy: -18.406
tors. eta vs tors. theta energy: -29.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -441.557303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.557303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.557303 (E_RNA)
where:
Base-Base interactions energy: -300.306
where: short stacking energy: -141.587
Base-Backbone interact. energy: 0.199
local terms energy: -141.450217
where:
bonds (distance) C4'-P energy: -26.989
bonds (distance) P-C4' energy: -30.925
flat angles C4'-P-C4' energy: -32.358
flat angles P-C4'-P energy: -15.341
tors. eta vs tors. theta energy: -35.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -335.069651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.069651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.069651 (E_RNA)
where:
Base-Base interactions energy: -210.263
where: short stacking energy: -101.298
Base-Backbone interact. energy: -0.218
local terms energy: -124.588374
where:
bonds (distance) C4'-P energy: -29.254
bonds (distance) P-C4' energy: -25.324
flat angles C4'-P-C4' energy: -28.997
flat angles P-C4'-P energy: -16.370
tors. eta vs tors. theta energy: -24.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -308.185798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.185798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.185798 (E_RNA)
where:
Base-Base interactions energy: -185.974
where: short stacking energy: -100.031
Base-Backbone interact. energy: -1.110
local terms energy: -121.101532
where:
bonds (distance) C4'-P energy: -34.343
bonds (distance) P-C4' energy: -28.882
flat angles C4'-P-C4' energy: -24.755
flat angles P-C4'-P energy: -21.742
tors. eta vs tors. theta energy: -11.380
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: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -598.101050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.101050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.101050 (E_RNA)
where:
Base-Base interactions energy: -427.223
where: short stacking energy: -166.914
Base-Backbone interact. energy: -1.121
local terms energy: -169.757389
where:
bonds (distance) C4'-P energy: -32.894
bonds (distance) P-C4' energy: -31.145
flat angles C4'-P-C4' energy: -35.952
flat angles P-C4'-P energy: -23.138
tors. eta vs tors. theta energy: -46.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -576.971965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.971965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.971965 (E_RNA)
where:
Base-Base interactions energy: -396.295
where: short stacking energy: -183.365
Base-Backbone interact. energy: 0.209
local terms energy: -180.885949
where:
bonds (distance) C4'-P energy: -33.013
bonds (distance) P-C4' energy: -34.093
flat angles C4'-P-C4' energy: -36.472
flat angles P-C4'-P energy: -29.151
tors. eta vs tors. theta energy: -48.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -546.470635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.470635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.470635 (E_RNA)
where:
Base-Base interactions energy: -381.049
where: short stacking energy: -159.186
Base-Backbone interact. energy: -0.354
local terms energy: -165.067643
where:
bonds (distance) C4'-P energy: -32.047
bonds (distance) P-C4' energy: -34.830
flat angles C4'-P-C4' energy: -30.279
flat angles P-C4'-P energy: -26.767
tors. eta vs tors. theta energy: -41.145
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: 4, replica: 6
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -509.361353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.361353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.361353 (E_RNA)
where:
Base-Base interactions energy: -337.910
where: short stacking energy: -156.759
Base-Backbone interact. energy: -0.723
local terms energy: -170.728309
where:
bonds (distance) C4'-P energy: -28.172
bonds (distance) P-C4' energy: -32.421
flat angles C4'-P-C4' energy: -39.135
flat angles P-C4'-P energy: -30.336
tors. eta vs tors. theta energy: -40.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -517.635938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.635938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.635938 (E_RNA)
where:
Base-Base interactions energy: -362.371
where: short stacking energy: -144.103
Base-Backbone interact. energy: 0.388
local terms energy: -155.653597
where:
bonds (distance) C4'-P energy: -32.252
bonds (distance) P-C4' energy: -29.114
flat angles C4'-P-C4' energy: -33.089
flat angles P-C4'-P energy: -24.964
tors. eta vs tors. theta energy: -36.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -497.892436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.892436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.892436 (E_RNA)
where:
Base-Base interactions energy: -345.351
where: short stacking energy: -156.075
Base-Backbone interact. energy: 2.394
local terms energy: -154.934606
where:
bonds (distance) C4'-P energy: -24.606
bonds (distance) P-C4' energy: -29.944
flat angles C4'-P-C4' energy: -33.072
flat angles P-C4'-P energy: -21.714
tors. eta vs tors. theta energy: -45.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -391.662886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.662886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.662886 (E_RNA)
where:
Base-Base interactions energy: -256.884
where: short stacking energy: -131.979
Base-Backbone interact. energy: -0.073
local terms energy: -134.705741
where:
bonds (distance) C4'-P energy: -24.264
bonds (distance) P-C4' energy: -22.212
flat angles C4'-P-C4' energy: -36.478
flat angles P-C4'-P energy: -19.747
tors. eta vs tors. theta energy: -32.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -455.863300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.863300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.863300 (E_RNA)
where:
Base-Base interactions energy: -311.787
where: short stacking energy: -138.945
Base-Backbone interact. energy: -0.138
local terms energy: -143.938350
where:
bonds (distance) C4'-P energy: -31.814
bonds (distance) P-C4' energy: -29.288
flat angles C4'-P-C4' energy: -28.254
flat angles P-C4'-P energy: -20.887
tors. eta vs tors. theta energy: -33.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -350.853300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.853300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.853300 (E_RNA)
where:
Base-Base interactions energy: -220.157
where: short stacking energy: -108.369
Base-Backbone interact. energy: -0.955
local terms energy: -129.741054
where:
bonds (distance) C4'-P energy: -34.321
bonds (distance) P-C4' energy: -28.109
flat angles C4'-P-C4' energy: -21.311
flat angles P-C4'-P energy: -17.339
tors. eta vs tors. theta energy: -28.660
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: 10
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -282.994699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.994699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.994699 (E_RNA)
where:
Base-Base interactions energy: -157.417
where: short stacking energy: -91.237
Base-Backbone interact. energy: -0.933
local terms energy: -124.645137
where:
bonds (distance) C4'-P energy: -24.021
bonds (distance) P-C4' energy: -31.498
flat angles C4'-P-C4' energy: -31.363
flat angles P-C4'-P energy: -25.071
tors. eta vs tors. theta energy: -12.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -595.442902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.442902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.442902 (E_RNA)
where:
Base-Base interactions energy: -427.323
where: short stacking energy: -175.451
Base-Backbone interact. energy: 2.917
local terms energy: -171.036580
where:
bonds (distance) C4'-P energy: -33.618
bonds (distance) P-C4' energy: -31.505
flat angles C4'-P-C4' energy: -33.738
flat angles P-C4'-P energy: -24.678
tors. eta vs tors. theta energy: -47.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -570.487647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.487647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.487647 (E_RNA)
where:
Base-Base interactions energy: -401.765
where: short stacking energy: -187.196
Base-Backbone interact. energy: 3.862
local terms energy: -172.584408
where:
bonds (distance) C4'-P energy: -34.475
bonds (distance) P-C4' energy: -31.110
flat angles C4'-P-C4' energy: -32.921
flat angles P-C4'-P energy: -25.168
tors. eta vs tors. theta energy: -48.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -551.060912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.060912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.060912 (E_RNA)
where:
Base-Base interactions energy: -388.368
where: short stacking energy: -175.533
Base-Backbone interact. energy: 0.489
local terms energy: -163.182292
where:
bonds (distance) C4'-P energy: -27.494
bonds (distance) P-C4' energy: -35.576
flat angles C4'-P-C4' energy: -31.801
flat angles P-C4'-P energy: -24.229
tors. eta vs tors. theta energy: -44.082
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: 6
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -522.656893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.656893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.656893 (E_RNA)
where:
Base-Base interactions energy: -360.573
where: short stacking energy: -178.270
Base-Backbone interact. energy: -0.751
local terms energy: -161.333117
where:
bonds (distance) C4'-P energy: -29.808
bonds (distance) P-C4' energy: -24.217
flat angles C4'-P-C4' energy: -36.659
flat angles P-C4'-P energy: -21.426
tors. eta vs tors. theta energy: -49.223
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: 9
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -518.557508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.557508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.557508 (E_RNA)
where:
Base-Base interactions energy: -364.299
where: short stacking energy: -160.767
Base-Backbone interact. energy: -0.205
local terms energy: -154.053035
where:
bonds (distance) C4'-P energy: -26.265
bonds (distance) P-C4' energy: -34.219
flat angles C4'-P-C4' energy: -36.025
flat angles P-C4'-P energy: -15.819
tors. eta vs tors. theta energy: -41.726
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: 7
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -494.656554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.656554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.656554 (E_RNA)
where:
Base-Base interactions energy: -363.480
where: short stacking energy: -133.680
Base-Backbone interact. energy: -0.621
local terms energy: -130.555458
where:
bonds (distance) C4'-P energy: -26.283
bonds (distance) P-C4' energy: -25.814
flat angles C4'-P-C4' energy: -32.926
flat angles P-C4'-P energy: -17.735
tors. eta vs tors. theta energy: -27.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -458.744851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.744851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.744851 (E_RNA)
where:
Base-Base interactions energy: -318.252
where: short stacking energy: -149.392
Base-Backbone interact. energy: -0.594
local terms energy: -139.898884
where:
bonds (distance) C4'-P energy: -20.421
bonds (distance) P-C4' energy: -32.262
flat angles C4'-P-C4' energy: -34.130
flat angles P-C4'-P energy: -18.385
tors. eta vs tors. theta energy: -34.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -394.147369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.147369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.147369 (E_RNA)
where:
Base-Base interactions energy: -252.946
where: short stacking energy: -123.092
Base-Backbone interact. energy: -0.254
local terms energy: -140.947455
where:
bonds (distance) C4'-P energy: -33.714
bonds (distance) P-C4' energy: -27.434
flat angles C4'-P-C4' energy: -33.867
flat angles P-C4'-P energy: -20.440
tors. eta vs tors. theta energy: -25.492
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: 3
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -365.384644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.384644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.384644 (E_RNA)
where:
Base-Base interactions energy: -235.433
where: short stacking energy: -114.283
Base-Backbone interact. energy: -0.122
local terms energy: -129.829767
where:
bonds (distance) C4'-P energy: -31.538
bonds (distance) P-C4' energy: -25.802
flat angles C4'-P-C4' energy: -29.595
flat angles P-C4'-P energy: -15.933
tors. eta vs tors. theta energy: -26.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -328.217557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.217557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.217557 (E_RNA)
where:
Base-Base interactions energy: -211.474
where: short stacking energy: -108.884
Base-Backbone interact. energy: -0.572
local terms energy: -116.171560
where:
bonds (distance) C4'-P energy: -27.300
bonds (distance) P-C4' energy: -22.422
flat angles C4'-P-C4' energy: -28.488
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -28.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -597.933779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.933779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.933779 (E_RNA)
where:
Base-Base interactions energy: -425.734
where: short stacking energy: -180.909
Base-Backbone interact. energy: -0.438
local terms energy: -171.762743
where:
bonds (distance) C4'-P energy: -29.578
bonds (distance) P-C4' energy: -34.422
flat angles C4'-P-C4' energy: -38.293
flat angles P-C4'-P energy: -25.562
tors. eta vs tors. theta energy: -43.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -576.655114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.655114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.655114 (E_RNA)
where:
Base-Base interactions energy: -398.775
where: short stacking energy: -180.931
Base-Backbone interact. energy: -0.907
local terms energy: -176.973196
where:
bonds (distance) C4'-P energy: -31.528
bonds (distance) P-C4' energy: -35.385
flat angles C4'-P-C4' energy: -36.646
flat angles P-C4'-P energy: -26.571
tors. eta vs tors. theta energy: -46.843
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: 3, replica: 8
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -551.694101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.694101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.694101 (E_RNA)
where:
Base-Base interactions energy: -382.439
where: short stacking energy: -156.590
Base-Backbone interact. energy: -0.822
local terms energy: -168.432866
where:
bonds (distance) C4'-P energy: -32.334
bonds (distance) P-C4' energy: -31.968
flat angles C4'-P-C4' energy: -37.313
flat angles P-C4'-P energy: -25.944
tors. eta vs tors. theta energy: -40.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -528.355087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.355087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.355087 (E_RNA)
where:
Base-Base interactions energy: -374.145
where: short stacking energy: -152.070
Base-Backbone interact. energy: -0.224
local terms energy: -153.986207
where:
bonds (distance) C4'-P energy: -33.001
bonds (distance) P-C4' energy: -34.009
flat angles C4'-P-C4' energy: -29.480
flat angles P-C4'-P energy: -18.252
tors. eta vs tors. theta energy: -39.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -519.319925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.319925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.319925 (E_RNA)
where:
Base-Base interactions energy: -355.279
where: short stacking energy: -164.826
Base-Backbone interact. energy: -0.446
local terms energy: -163.595380
where:
bonds (distance) C4'-P energy: -24.749
bonds (distance) P-C4' energy: -28.811
flat angles C4'-P-C4' energy: -40.083
flat angles P-C4'-P energy: -22.845
tors. eta vs tors. theta energy: -47.108
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: 7
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -479.359454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.359454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.359454 (E_RNA)
where:
Base-Base interactions energy: -346.500
where: short stacking energy: -124.925
Base-Backbone interact. energy: -0.139
local terms energy: -132.720326
where:
bonds (distance) C4'-P energy: -30.102
bonds (distance) P-C4' energy: -26.517
flat angles C4'-P-C4' energy: -25.260
flat angles P-C4'-P energy: -20.796
tors. eta vs tors. theta energy: -30.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -431.405728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.405728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.405728 (E_RNA)
where:
Base-Base interactions energy: -286.864
where: short stacking energy: -130.398
Base-Backbone interact. energy: 0.190
local terms energy: -144.731743
where:
bonds (distance) C4'-P energy: -30.453
bonds (distance) P-C4' energy: -33.503
flat angles C4'-P-C4' energy: -25.867
flat angles P-C4'-P energy: -19.324
tors. eta vs tors. theta energy: -35.585
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: 3
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -377.272206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.272206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.272206 (E_RNA)
where:
Base-Base interactions energy: -254.856
where: short stacking energy: -119.792
Base-Backbone interact. energy: 0.041
local terms energy: -122.457539
where:
bonds (distance) C4'-P energy: -26.468
bonds (distance) P-C4' energy: -32.961
flat angles C4'-P-C4' energy: -23.119
flat angles P-C4'-P energy: -17.231
tors. eta vs tors. theta energy: -22.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -394.811500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.811500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.811500 (E_RNA)
where:
Base-Base interactions energy: -250.344
where: short stacking energy: -121.433
Base-Backbone interact. energy: 0.159
local terms energy: -144.627304
where:
bonds (distance) C4'-P energy: -29.233
bonds (distance) P-C4' energy: -24.905
flat angles C4'-P-C4' energy: -36.018
flat angles P-C4'-P energy: -20.561
tors. eta vs tors. theta energy: -33.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -330.133665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.133665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.133665 (E_RNA)
where:
Base-Base interactions energy: -204.102
where: short stacking energy: -96.257
Base-Backbone interact. energy: 0.703
local terms energy: -126.735042
where:
bonds (distance) C4'-P energy: -24.786
bonds (distance) P-C4' energy: -31.854
flat angles C4'-P-C4' energy: -32.988
flat angles P-C4'-P energy: -13.329
tors. eta vs tors. theta energy: -23.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -577.244878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.244878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.244878 (E_RNA)
where:
Base-Base interactions energy: -397.914
where: short stacking energy: -179.938
Base-Backbone interact. energy: -0.427
local terms energy: -178.904121
where:
bonds (distance) C4'-P energy: -33.823
bonds (distance) P-C4' energy: -33.497
flat angles C4'-P-C4' energy: -35.152
flat angles P-C4'-P energy: -24.532
tors. eta vs tors. theta energy: -51.901
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: 2, replica: 2
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -571.745514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.745514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.745514 (E_RNA)
where:
Base-Base interactions energy: -408.871
where: short stacking energy: -176.256
Base-Backbone interact. energy: 0.901
local terms energy: -163.775583
where:
bonds (distance) C4'-P energy: -32.197
bonds (distance) P-C4' energy: -24.342
flat angles C4'-P-C4' energy: -36.208
flat angles P-C4'-P energy: -25.366
tors. eta vs tors. theta energy: -45.663
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: 3, replica: 9
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -536.474305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.474305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.474305 (E_RNA)
where:
Base-Base interactions energy: -369.541
where: short stacking energy: -162.692
Base-Backbone interact. energy: -0.212
local terms energy: -166.721161
where:
bonds (distance) C4'-P energy: -32.524
bonds (distance) P-C4' energy: -32.496
flat angles C4'-P-C4' energy: -32.716
flat angles P-C4'-P energy: -20.382
tors. eta vs tors. theta energy: -48.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -557.793400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.793400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.793400 (E_RNA)
where:
Base-Base interactions energy: -389.913
where: short stacking energy: -170.840
Base-Backbone interact. energy: -0.634
local terms energy: -167.245784
where:
bonds (distance) C4'-P energy: -31.755
bonds (distance) P-C4' energy: -31.473
flat angles C4'-P-C4' energy: -34.087
flat angles P-C4'-P energy: -20.389
tors. eta vs tors. theta energy: -49.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -506.446503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.446503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.446503 (E_RNA)
where:
Base-Base interactions energy: -348.929
where: short stacking energy: -145.095
Base-Backbone interact. energy: -1.050
local terms energy: -156.467477
where:
bonds (distance) C4'-P energy: -20.025
bonds (distance) P-C4' energy: -34.821
flat angles C4'-P-C4' energy: -30.137
flat angles P-C4'-P energy: -26.975
tors. eta vs tors. theta energy: -44.509
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: 7
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -497.756728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.756728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.756728 (E_RNA)
where:
Base-Base interactions energy: -362.691
where: short stacking energy: -149.004
Base-Backbone interact. energy: -0.307
local terms energy: -134.757905
where:
bonds (distance) C4'-P energy: -27.982
bonds (distance) P-C4' energy: -22.235
flat angles C4'-P-C4' energy: -35.600
flat angles P-C4'-P energy: -14.657
tors. eta vs tors. theta energy: -34.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -428.536050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.536050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.536050 (E_RNA)
where:
Base-Base interactions energy: -291.804
where: short stacking energy: -128.450
Base-Backbone interact. energy: 1.649
local terms energy: -138.380974
where:
bonds (distance) C4'-P energy: -24.066
bonds (distance) P-C4' energy: -32.104
flat angles C4'-P-C4' energy: -33.168
flat angles P-C4'-P energy: -21.309
tors. eta vs tors. theta energy: -27.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -420.589614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.589614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.589614 (E_RNA)
where:
Base-Base interactions energy: -284.795
where: short stacking energy: -130.773
Base-Backbone interact. energy: 0.715
local terms energy: -136.510223
where:
bonds (distance) C4'-P energy: -32.545
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -37.328
flat angles P-C4'-P energy: -23.317
tors. eta vs tors. theta energy: -28.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -382.811406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.811406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.811406 (E_RNA)
where:
Base-Base interactions energy: -250.058
where: short stacking energy: -126.233
Base-Backbone interact. energy: -0.455
local terms energy: -132.297782
where:
bonds (distance) C4'-P energy: -24.180
bonds (distance) P-C4' energy: -21.434
flat angles C4'-P-C4' energy: -28.222
flat angles P-C4'-P energy: -24.896
tors. eta vs tors. theta energy: -33.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -335.394838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.394838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.394838 (E_RNA)
where:
Base-Base interactions energy: -218.689
where: short stacking energy: -87.829
Base-Backbone interact. energy: -0.534
local terms energy: -116.171794
where:
bonds (distance) C4'-P energy: -22.995
bonds (distance) P-C4' energy: -29.697
flat angles C4'-P-C4' energy: -29.147
flat angles P-C4'-P energy: -20.361
tors. eta vs tors. theta energy: -13.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -574.803742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.803742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.803742 (E_RNA)
where:
Base-Base interactions energy: -398.560
where: short stacking energy: -172.336
Base-Backbone interact. energy: -0.248
local terms energy: -175.995575
where:
bonds (distance) C4'-P energy: -35.355
bonds (distance) P-C4' energy: -33.566
flat angles C4'-P-C4' energy: -33.704
flat angles P-C4'-P energy: -23.235
tors. eta vs tors. theta energy: -50.136
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: 2, replica: 2
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -583.898677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.898677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.898677 (E_RNA)
where:
Base-Base interactions energy: -418.808
where: short stacking energy: -170.562
Base-Backbone interact. energy: -1.552
local terms energy: -163.538914
where:
bonds (distance) C4'-P energy: -33.366
bonds (distance) P-C4' energy: -27.433
flat angles C4'-P-C4' energy: -37.431
flat angles P-C4'-P energy: -21.930
tors. eta vs tors. theta energy: -43.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -540.651922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.651922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.651922 (E_RNA)
where:
Base-Base interactions energy: -373.600
where: short stacking energy: -165.053
Base-Backbone interact. energy: -0.129
local terms energy: -166.923469
where:
bonds (distance) C4'-P energy: -30.556
bonds (distance) P-C4' energy: -31.866
flat angles C4'-P-C4' energy: -36.900
flat angles P-C4'-P energy: -25.754
tors. eta vs tors. theta energy: -41.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -537.000054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.000054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.000054 (E_RNA)
where:
Base-Base interactions energy: -383.042
where: short stacking energy: -153.251
Base-Backbone interact. energy: -0.204
local terms energy: -153.754667
where:
bonds (distance) C4'-P energy: -29.321
bonds (distance) P-C4' energy: -29.304
flat angles C4'-P-C4' energy: -29.141
flat angles P-C4'-P energy: -22.206
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: 5, replica: 6
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -505.423426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.423426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.423426 (E_RNA)
where:
Base-Base interactions energy: -347.881
where: short stacking energy: -152.112
Base-Backbone interact. energy: -0.729
local terms energy: -156.813044
where:
bonds (distance) C4'-P energy: -28.402
bonds (distance) P-C4' energy: -27.782
flat angles C4'-P-C4' energy: -37.101
flat angles P-C4'-P energy: -20.825
tors. eta vs tors. theta energy: -42.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -510.421202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.421202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.421202 (E_RNA)
where:
Base-Base interactions energy: -355.499
where: short stacking energy: -149.503
Base-Backbone interact. energy: -1.235
local terms energy: -153.687124
where:
bonds (distance) C4'-P energy: -24.308
bonds (distance) P-C4' energy: -31.768
flat angles C4'-P-C4' energy: -36.761
flat angles P-C4'-P energy: -23.475
tors. eta vs tors. theta energy: -37.374
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: 4
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -460.628393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.628393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.628393 (E_RNA)
where:
Base-Base interactions energy: -316.362
where: short stacking energy: -142.730
Base-Backbone interact. energy: -1.211
local terms energy: -143.054834
where:
bonds (distance) C4'-P energy: -32.330
bonds (distance) P-C4' energy: -30.086
flat angles C4'-P-C4' energy: -30.486
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -43.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -421.692357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.692357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.692357 (E_RNA)
where:
Base-Base interactions energy: -291.768
where: short stacking energy: -138.422
Base-Backbone interact. energy: -0.384
local terms energy: -129.540951
where:
bonds (distance) C4'-P energy: -19.670
bonds (distance) P-C4' energy: -30.783
flat angles C4'-P-C4' energy: -27.040
flat angles P-C4'-P energy: -18.074
tors. eta vs tors. theta energy: -33.974
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: 1
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -397.621963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.621963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.621963 (E_RNA)
where:
Base-Base interactions energy: -273.875
where: short stacking energy: -113.020
Base-Backbone interact. energy: -0.882
local terms energy: -122.865060
where:
bonds (distance) C4'-P energy: -20.489
bonds (distance) P-C4' energy: -28.426
flat angles C4'-P-C4' energy: -26.219
flat angles P-C4'-P energy: -19.441
tors. eta vs tors. theta energy: -28.290
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: 383
Temperature: 1.350000
Total energy: -297.355925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.355925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.355925 (E_RNA)
where:
Base-Base interactions energy: -183.588
where: short stacking energy: -68.124
Base-Backbone interact. energy: 2.510
local terms energy: -116.277576
where:
bonds (distance) C4'-P energy: -25.525
bonds (distance) P-C4' energy: -30.875
flat angles C4'-P-C4' energy: -34.271
flat angles P-C4'-P energy: -17.456
tors. eta vs tors. theta energy: -8.150
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: 2
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -601.875844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.875844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.875844 (E_RNA)
where:
Base-Base interactions energy: -417.489
where: short stacking energy: -175.817
Base-Backbone interact. energy: 0.034
local terms energy: -184.420949
where:
bonds (distance) C4'-P energy: -35.480
bonds (distance) P-C4' energy: -33.609
flat angles C4'-P-C4' energy: -38.366
flat angles P-C4'-P energy: -27.276
tors. eta vs tors. theta energy: -49.691
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: 384
Temperature: 0.950000
Total energy: -575.356028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.356028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.356028 (E_RNA)
where:
Base-Base interactions energy: -405.841
where: short stacking energy: -173.139
Base-Backbone interact. energy: -0.007
local terms energy: -169.507827
where:
bonds (distance) C4'-P energy: -32.842
bonds (distance) P-C4' energy: -29.805
flat angles C4'-P-C4' energy: -35.350
flat angles P-C4'-P energy: -26.161
tors. eta vs tors. theta energy: -45.349
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: 8
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -554.576014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.576014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.576014 (E_RNA)
where:
Base-Base interactions energy: -385.557
where: short stacking energy: -170.125
Base-Backbone interact. energy: -0.329
local terms energy: -168.689953
where:
bonds (distance) C4'-P energy: -31.733
bonds (distance) P-C4' energy: -27.610
flat angles C4'-P-C4' energy: -36.860
flat angles P-C4'-P energy: -24.097
tors. eta vs tors. theta energy: -48.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -544.098764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.098764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.098764 (E_RNA)
where:
Base-Base interactions energy: -370.631
where: short stacking energy: -166.318
Base-Backbone interact. energy: 0.506
local terms energy: -173.973753
where:
bonds (distance) C4'-P energy: -38.105
bonds (distance) P-C4' energy: -31.980
flat angles C4'-P-C4' energy: -39.285
flat angles P-C4'-P energy: -17.818
tors. eta vs tors. theta energy: -46.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -530.086014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.086014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.086014 (E_RNA)
where:
Base-Base interactions energy: -378.449
where: short stacking energy: -155.406
Base-Backbone interact. energy: -1.685
local terms energy: -149.951671
where:
bonds (distance) C4'-P energy: -29.453
bonds (distance) P-C4' energy: -29.534
flat angles C4'-P-C4' energy: -29.893
flat angles P-C4'-P energy: -19.009
tors. eta vs tors. theta energy: -42.063
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: 6
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -500.086231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.086231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.086231 (E_RNA)
where:
Base-Base interactions energy: -346.380
where: short stacking energy: -163.146
Base-Backbone interact. energy: 0.970
local terms energy: -154.676607
where:
bonds (distance) C4'-P energy: -27.520
bonds (distance) P-C4' energy: -30.878
flat angles C4'-P-C4' energy: -30.447
flat angles P-C4'-P energy: -22.971
tors. eta vs tors. theta energy: -42.860
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: 7, replica: 4
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -477.554110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.554110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.554110 (E_RNA)
where:
Base-Base interactions energy: -323.203
where: short stacking energy: -150.479
Base-Backbone interact. energy: -0.096
local terms energy: -154.254737
where:
bonds (distance) C4'-P energy: -30.926
bonds (distance) P-C4' energy: -27.123
flat angles C4'-P-C4' energy: -31.470
flat angles P-C4'-P energy: -26.632
tors. eta vs tors. theta energy: -38.103
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: 3
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -457.613290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.613290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.613290 (E_RNA)
where:
Base-Base interactions energy: -309.638
where: short stacking energy: -149.953
Base-Backbone interact. energy: 1.913
local terms energy: -149.887944
where:
bonds (distance) C4'-P energy: -24.689
bonds (distance) P-C4' energy: -34.801
flat angles C4'-P-C4' energy: -26.250
flat angles P-C4'-P energy: -20.468
tors. eta vs tors. theta energy: -43.680
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: 1
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -421.389259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.389259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.389259 (E_RNA)
where:
Base-Base interactions energy: -290.137
where: short stacking energy: -132.048
Base-Backbone interact. energy: -0.605
local terms energy: -130.647984
where:
bonds (distance) C4'-P energy: -26.537
bonds (distance) P-C4' energy: -24.936
flat angles C4'-P-C4' energy: -33.623
flat angles P-C4'-P energy: -19.543
tors. eta vs tors. theta energy: -26.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -286.780871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.780871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.780871 (E_RNA)
where:
Base-Base interactions energy: -171.547
where: short stacking energy: -79.273
Base-Backbone interact. energy: -0.066
local terms energy: -115.167791
where:
bonds (distance) C4'-P energy: -26.480
bonds (distance) P-C4' energy: -26.202
flat angles C4'-P-C4' energy: -32.206
flat angles P-C4'-P energy: -18.419
tors. eta vs tors. theta energy: -11.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -593.535653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.535653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.535653 (E_RNA)
where:
Base-Base interactions energy: -414.661
where: short stacking energy: -179.752
Base-Backbone interact. energy: -0.460
local terms energy: -178.414305
where:
bonds (distance) C4'-P energy: -30.417
bonds (distance) P-C4' energy: -36.404
flat angles C4'-P-C4' energy: -36.883
flat angles P-C4'-P energy: -27.516
tors. eta vs tors. theta energy: -47.194
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: 2, replica: 5
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -578.381800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.381800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.381800 (E_RNA)
where:
Base-Base interactions energy: -405.176
where: short stacking energy: -172.406
Base-Backbone interact. energy: 0.332
local terms energy: -173.537948
where:
bonds (distance) C4'-P energy: -34.701
bonds (distance) P-C4' energy: -29.553
flat angles C4'-P-C4' energy: -37.002
flat angles P-C4'-P energy: -24.831
tors. eta vs tors. theta energy: -47.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -560.671934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.671934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.671934 (E_RNA)
where:
Base-Base interactions energy: -385.598
where: short stacking energy: -172.412
Base-Backbone interact. energy: 1.336
local terms energy: -176.410735
where:
bonds (distance) C4'-P energy: -34.232
bonds (distance) P-C4' energy: -32.632
flat angles C4'-P-C4' energy: -33.545
flat angles P-C4'-P energy: -22.996
tors. eta vs tors. theta energy: -53.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -549.332082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.332082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.332082 (E_RNA)
where:
Base-Base interactions energy: -398.736
where: short stacking energy: -167.345
Base-Backbone interact. energy: -0.493
local terms energy: -150.103145
where:
bonds (distance) C4'-P energy: -32.104
bonds (distance) P-C4' energy: -23.192
flat angles C4'-P-C4' energy: -32.434
flat angles P-C4'-P energy: -15.964
tors. eta vs tors. theta energy: -46.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -521.525856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.525856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.525856 (E_RNA)
where:
Base-Base interactions energy: -368.254
where: short stacking energy: -148.283
Base-Backbone interact. energy: -0.718
local terms energy: -152.553124
where:
bonds (distance) C4'-P energy: -30.416
bonds (distance) P-C4' energy: -25.888
flat angles C4'-P-C4' energy: -30.116
flat angles P-C4'-P energy: -25.798
tors. eta vs tors. theta energy: -40.336
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: 4
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -484.476543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.476543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.476543 (E_RNA)
where:
Base-Base interactions energy: -342.701
where: short stacking energy: -154.657
Base-Backbone interact. energy: -0.228
local terms energy: -141.547683
where:
bonds (distance) C4'-P energy: -27.934
bonds (distance) P-C4' energy: -31.144
flat angles C4'-P-C4' energy: -31.624
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -38.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -472.002926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.002926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.002926 (E_RNA)
where:
Base-Base interactions energy: -329.171
where: short stacking energy: -147.481
Base-Backbone interact. energy: -1.014
local terms energy: -141.817895
where:
bonds (distance) C4'-P energy: -27.017
bonds (distance) P-C4' energy: -24.551
flat angles C4'-P-C4' energy: -27.985
flat angles P-C4'-P energy: -22.067
tors. eta vs tors. theta energy: -40.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -426.921562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.921562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.921562 (E_RNA)
where:
Base-Base interactions energy: -289.576
where: short stacking energy: -136.985
Base-Backbone interact. energy: -0.738
local terms energy: -136.608341
where:
bonds (distance) C4'-P energy: -27.974
bonds (distance) P-C4' energy: -29.478
flat angles C4'-P-C4' energy: -31.201
flat angles P-C4'-P energy: -13.481
tors. eta vs tors. theta energy: -34.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -427.539341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.539341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.539341 (E_RNA)
where:
Base-Base interactions energy: -295.887
where: short stacking energy: -117.265
Base-Backbone interact. energy: -0.029
local terms energy: -131.623776
where:
bonds (distance) C4'-P energy: -23.636
bonds (distance) P-C4' energy: -31.138
flat angles C4'-P-C4' energy: -33.011
flat angles P-C4'-P energy: -15.661
tors. eta vs tors. theta energy: -28.178
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: 385
Temperature: 1.350000
Total energy: -291.199535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.199535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.199535 (E_RNA)
where:
Base-Base interactions energy: -181.903
where: short stacking energy: -106.136
Base-Backbone interact. energy: -0.805
local terms energy: -108.491827
where:
bonds (distance) C4'-P energy: -21.397
bonds (distance) P-C4' energy: -28.600
flat angles C4'-P-C4' energy: -20.290
flat angles P-C4'-P energy: -19.103
tors. eta vs tors. theta energy: -19.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -590.761625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.761625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.761625 (E_RNA)
where:
Base-Base interactions energy: -409.794
where: short stacking energy: -182.951
Base-Backbone interact. energy: -0.249
local terms energy: -180.719411
where:
bonds (distance) C4'-P energy: -28.160
bonds (distance) P-C4' energy: -38.595
flat angles C4'-P-C4' energy: -37.014
flat angles P-C4'-P energy: -27.421
tors. eta vs tors. theta energy: -49.529
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: 2
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -593.286973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.286973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.286973 (E_RNA)
where:
Base-Base interactions energy: -413.763
where: short stacking energy: -175.865
Base-Backbone interact. energy: -0.882
local terms energy: -178.641548
where:
bonds (distance) C4'-P energy: -26.530
bonds (distance) P-C4' energy: -38.697
flat angles C4'-P-C4' energy: -40.178
flat angles P-C4'-P energy: -27.928
tors. eta vs tors. theta energy: -45.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -561.601418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.601418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.601418 (E_RNA)
where:
Base-Base interactions energy: -387.942
where: short stacking energy: -163.792
Base-Backbone interact. energy: -0.480
local terms energy: -173.179097
where:
bonds (distance) C4'-P energy: -30.166
bonds (distance) P-C4' energy: -34.539
flat angles C4'-P-C4' energy: -33.982
flat angles P-C4'-P energy: -24.030
tors. eta vs tors. theta energy: -50.461
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: 9
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -544.951012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.951012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.951012 (E_RNA)
where:
Base-Base interactions energy: -371.067
where: short stacking energy: -161.450
Base-Backbone interact. energy: -1.340
local terms energy: -172.544138
where:
bonds (distance) C4'-P energy: -32.647
bonds (distance) P-C4' energy: -30.950
flat angles C4'-P-C4' energy: -35.263
flat angles P-C4'-P energy: -26.362
tors. eta vs tors. theta energy: -47.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -493.143517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.143517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.143517 (E_RNA)
where:
Base-Base interactions energy: -335.793
where: short stacking energy: -147.599
Base-Backbone interact. energy: -0.704
local terms energy: -156.645942
where:
bonds (distance) C4'-P energy: -32.411
bonds (distance) P-C4' energy: -31.534
flat angles C4'-P-C4' energy: -35.736
flat angles P-C4'-P energy: -17.188
tors. eta vs tors. theta energy: -39.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -505.641206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.641206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.641206 (E_RNA)
where:
Base-Base interactions energy: -366.324
where: short stacking energy: -161.602
Base-Backbone interact. energy: -0.486
local terms energy: -138.831923
where:
bonds (distance) C4'-P energy: -21.392
bonds (distance) P-C4' energy: -23.456
flat angles C4'-P-C4' energy: -27.993
flat angles P-C4'-P energy: -22.719
tors. eta vs tors. theta energy: -43.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -495.695915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.695915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.695915 (E_RNA)
where:
Base-Base interactions energy: -354.229
where: short stacking energy: -157.710
Base-Backbone interact. energy: 2.588
local terms energy: -144.055115
where:
bonds (distance) C4'-P energy: -27.391
bonds (distance) P-C4' energy: -23.904
flat angles C4'-P-C4' energy: -29.542
flat angles P-C4'-P energy: -25.125
tors. eta vs tors. theta energy: -38.093
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: 3
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -438.139832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.139832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.139832 (E_RNA)
where:
Base-Base interactions energy: -309.275
where: short stacking energy: -138.400
Base-Backbone interact. energy: -0.109
local terms energy: -128.755445
where:
bonds (distance) C4'-P energy: -24.373
bonds (distance) P-C4' energy: -27.096
flat angles C4'-P-C4' energy: -28.930
flat angles P-C4'-P energy: -15.982
tors. eta vs tors. theta energy: -32.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -411.748477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.748477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.748477 (E_RNA)
where:
Base-Base interactions energy: -282.937
where: short stacking energy: -112.814
Base-Backbone interact. energy: 0.801
local terms energy: -129.611623
where:
bonds (distance) C4'-P energy: -29.217
bonds (distance) P-C4' energy: -28.287
flat angles C4'-P-C4' energy: -23.271
flat angles P-C4'-P energy: -23.519
tors. eta vs tors. theta energy: -25.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -291.649040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.649040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.649040 (E_RNA)
where:
Base-Base interactions energy: -181.928
where: short stacking energy: -92.822
Base-Backbone interact. energy: 0.031
local terms energy: -109.752022
where:
bonds (distance) C4'-P energy: -26.247
bonds (distance) P-C4' energy: -21.242
flat angles C4'-P-C4' energy: -24.397
flat angles P-C4'-P energy: -20.310
tors. eta vs tors. theta energy: -17.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -586.205166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.205166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.205166 (E_RNA)
where:
Base-Base interactions energy: -410.651
where: short stacking energy: -185.751
Base-Backbone interact. energy: -0.002
local terms energy: -175.552815
where:
bonds (distance) C4'-P energy: -29.427
bonds (distance) P-C4' energy: -30.471
flat angles C4'-P-C4' energy: -37.644
flat angles P-C4'-P energy: -28.723
tors. eta vs tors. theta energy: -49.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -577.704442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.704442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.704442 (E_RNA)
where:
Base-Base interactions energy: -412.894
where: short stacking energy: -171.506
Base-Backbone interact. energy: -0.624
local terms energy: -164.187152
where:
bonds (distance) C4'-P energy: -29.520
bonds (distance) P-C4' energy: -32.747
flat angles C4'-P-C4' energy: -34.720
flat angles P-C4'-P energy: -23.242
tors. eta vs tors. theta energy: -43.958
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: 3, replica: 8
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -560.086496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.086496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.086496 (E_RNA)
where:
Base-Base interactions energy: -394.669
where: short stacking energy: -174.222
Base-Backbone interact. energy: -1.547
local terms energy: -163.870161
where:
bonds (distance) C4'-P energy: -29.972
bonds (distance) P-C4' energy: -34.412
flat angles C4'-P-C4' energy: -28.978
flat angles P-C4'-P energy: -24.613
tors. eta vs tors. theta energy: -45.895
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: 9
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -537.310789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.310789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.310789 (E_RNA)
where:
Base-Base interactions energy: -369.670
where: short stacking energy: -158.799
Base-Backbone interact. energy: -0.027
local terms energy: -167.613382
where:
bonds (distance) C4'-P energy: -34.520
bonds (distance) P-C4' energy: -34.760
flat angles C4'-P-C4' energy: -30.770
flat angles P-C4'-P energy: -24.492
tors. eta vs tors. theta energy: -43.073
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: 5, replica: 4
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -498.800531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.800531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.800531 (E_RNA)
where:
Base-Base interactions energy: -345.226
where: short stacking energy: -147.581
Base-Backbone interact. energy: -0.627
local terms energy: -152.948044
where:
bonds (distance) C4'-P energy: -26.487
bonds (distance) P-C4' energy: -29.579
flat angles C4'-P-C4' energy: -36.090
flat angles P-C4'-P energy: -14.065
tors. eta vs tors. theta energy: -46.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -506.775363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.775363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.775363 (E_RNA)
where:
Base-Base interactions energy: -363.094
where: short stacking energy: -164.160
Base-Backbone interact. energy: -0.254
local terms energy: -143.426977
where:
bonds (distance) C4'-P energy: -22.444
bonds (distance) P-C4' energy: -25.587
flat angles C4'-P-C4' energy: -31.292
flat angles P-C4'-P energy: -18.306
tors. eta vs tors. theta energy: -45.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -508.117390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.117390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.117390 (E_RNA)
where:
Base-Base interactions energy: -354.875
where: short stacking energy: -154.894
Base-Backbone interact. energy: -0.402
local terms energy: -152.840403
where:
bonds (distance) C4'-P energy: -28.640
bonds (distance) P-C4' energy: -27.003
flat angles C4'-P-C4' energy: -34.809
flat angles P-C4'-P energy: -17.002
tors. eta vs tors. theta energy: -45.386
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: 3
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -437.819601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.819601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.819601 (E_RNA)
where:
Base-Base interactions energy: -301.288
where: short stacking energy: -127.170
Base-Backbone interact. energy: 0.033
local terms energy: -136.564039
where:
bonds (distance) C4'-P energy: -23.167
bonds (distance) P-C4' energy: -26.841
flat angles C4'-P-C4' energy: -34.956
flat angles P-C4'-P energy: -22.382
tors. eta vs tors. theta energy: -29.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -369.863137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.863137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.863137 (E_RNA)
where:
Base-Base interactions energy: -260.613
where: short stacking energy: -124.917
Base-Backbone interact. energy: 0.300
local terms energy: -109.550448
where:
bonds (distance) C4'-P energy: -23.405
bonds (distance) P-C4' energy: -24.045
flat angles C4'-P-C4' energy: -30.740
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -23.334
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: 10, replica: 10
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -268.094079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.094079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.094079 (E_RNA)
where:
Base-Base interactions energy: -168.436
where: short stacking energy: -80.463
Base-Backbone interact. energy: 1.369
local terms energy: -101.026266
where:
bonds (distance) C4'-P energy: -23.207
bonds (distance) P-C4' energy: -23.430
flat angles C4'-P-C4' energy: -20.392
flat angles P-C4'-P energy: -15.692
tors. eta vs tors. theta energy: -18.305
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: 1, replica: 2
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -588.314083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.314083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.314083 (E_RNA)
where:
Base-Base interactions energy: -423.829
where: short stacking energy: -177.095
Base-Backbone interact. energy: -0.450
local terms energy: -164.034874
where:
bonds (distance) C4'-P energy: -28.691
bonds (distance) P-C4' energy: -29.895
flat angles C4'-P-C4' energy: -37.482
flat angles P-C4'-P energy: -25.062
tors. eta vs tors. theta energy: -42.905
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: 388
Temperature: 0.950000
Total energy: -573.925951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.925951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.925951 (E_RNA)
where:
Base-Base interactions energy: -395.495
where: short stacking energy: -179.755
Base-Backbone interact. energy: -0.399
local terms energy: -178.032269
where:
bonds (distance) C4'-P energy: -35.844
bonds (distance) P-C4' energy: -36.464
flat angles C4'-P-C4' energy: -33.495
flat angles P-C4'-P energy: -25.267
tors. eta vs tors. theta energy: -46.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -559.569476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.569476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.569476 (E_RNA)
where:
Base-Base interactions energy: -393.066
where: short stacking energy: -170.329
Base-Backbone interact. energy: -1.668
local terms energy: -164.835491
where:
bonds (distance) C4'-P energy: -22.387
bonds (distance) P-C4' energy: -30.592
flat angles C4'-P-C4' energy: -36.161
flat angles P-C4'-P energy: -25.145
tors. eta vs tors. theta energy: -50.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -540.781729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.781729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.781729 (E_RNA)
where:
Base-Base interactions energy: -395.435
where: short stacking energy: -163.999
Base-Backbone interact. energy: -0.029
local terms energy: -145.317495
where:
bonds (distance) C4'-P energy: -20.866
bonds (distance) P-C4' energy: -29.398
flat angles C4'-P-C4' energy: -33.645
flat angles P-C4'-P energy: -18.233
tors. eta vs tors. theta energy: -43.176
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: 5, replica: 6
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -524.504008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.504008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.504008 (E_RNA)
where:
Base-Base interactions energy: -367.358
where: short stacking energy: -171.081
Base-Backbone interact. energy: -0.196
local terms energy: -156.950167
where:
bonds (distance) C4'-P energy: -21.654
bonds (distance) P-C4' energy: -31.855
flat angles C4'-P-C4' energy: -35.783
flat angles P-C4'-P energy: -21.078
tors. eta vs tors. theta energy: -46.579
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: 4
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -483.017167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.017167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.017167 (E_RNA)
where:
Base-Base interactions energy: -347.273
where: short stacking energy: -151.015
Base-Backbone interact. energy: -0.479
local terms energy: -135.265497
where:
bonds (distance) C4'-P energy: -30.027
bonds (distance) P-C4' energy: -18.759
flat angles C4'-P-C4' energy: -33.124
flat angles P-C4'-P energy: -14.435
tors. eta vs tors. theta energy: -38.921
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: 7
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -504.106966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.106966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.106966 (E_RNA)
where:
Base-Base interactions energy: -359.212
where: short stacking energy: -149.186
Base-Backbone interact. energy: -2.055
local terms energy: -142.839999
where:
bonds (distance) C4'-P energy: -24.342
bonds (distance) P-C4' energy: -25.665
flat angles C4'-P-C4' energy: -29.308
flat angles P-C4'-P energy: -19.497
tors. eta vs tors. theta energy: -44.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -416.073074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.073074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.073074 (E_RNA)
where:
Base-Base interactions energy: -286.566
where: short stacking energy: -121.306
Base-Backbone interact. energy: -0.362
local terms energy: -129.145163
where:
bonds (distance) C4'-P energy: -23.980
bonds (distance) P-C4' energy: -26.594
flat angles C4'-P-C4' energy: -31.060
flat angles P-C4'-P energy: -17.474
tors. eta vs tors. theta energy: -30.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -355.627075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.627075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.627075 (E_RNA)
where:
Base-Base interactions energy: -248.802
where: short stacking energy: -107.036
Base-Backbone interact. energy: -1.765
local terms energy: -105.059844
where:
bonds (distance) C4'-P energy: -24.733
bonds (distance) P-C4' energy: -18.302
flat angles C4'-P-C4' energy: -26.969
flat angles P-C4'-P energy: -15.100
tors. eta vs tors. theta energy: -19.956
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: 10
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -264.668920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.668920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.668920 (E_RNA)
where:
Base-Base interactions energy: -167.030
where: short stacking energy: -75.996
Base-Backbone interact. energy: -0.979
local terms energy: -96.659798
where:
bonds (distance) C4'-P energy: -25.945
bonds (distance) P-C4' energy: -22.958
flat angles C4'-P-C4' energy: -22.256
flat angles P-C4'-P energy: -15.588
tors. eta vs tors. theta energy: -9.912
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: 1, replica: 2
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -593.270431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.270431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.270431 (E_RNA)
where:
Base-Base interactions energy: -429.522
where: short stacking energy: -182.633
Base-Backbone interact. energy: -0.515
local terms energy: -163.234015
where:
bonds (distance) C4'-P energy: -32.235
bonds (distance) P-C4' energy: -29.077
flat angles C4'-P-C4' energy: -36.681
flat angles P-C4'-P energy: -22.607
tors. eta vs tors. theta energy: -42.635
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: 2, replica: 5
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -571.877752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.877752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.877752 (E_RNA)
where:
Base-Base interactions energy: -393.473
where: short stacking energy: -175.999
Base-Backbone interact. energy: -0.020
local terms energy: -178.385475
where:
bonds (distance) C4'-P energy: -37.417
bonds (distance) P-C4' energy: -35.545
flat angles C4'-P-C4' energy: -29.106
flat angles P-C4'-P energy: -23.487
tors. eta vs tors. theta energy: -52.830
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: 8
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -578.017498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.017498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.017498 (E_RNA)
where:
Base-Base interactions energy: -406.388
where: short stacking energy: -176.121
Base-Backbone interact. energy: -0.772
local terms energy: -170.858068
where:
bonds (distance) C4'-P energy: -33.355
bonds (distance) P-C4' energy: -28.122
flat angles C4'-P-C4' energy: -31.543
flat angles P-C4'-P energy: -27.202
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: 4, replica: 9
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -548.937102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.937102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.937102 (E_RNA)
where:
Base-Base interactions energy: -378.997
where: short stacking energy: -158.543
Base-Backbone interact. energy: -0.872
local terms energy: -169.067988
where:
bonds (distance) C4'-P energy: -31.724
bonds (distance) P-C4' energy: -32.340
flat angles C4'-P-C4' energy: -30.478
flat angles P-C4'-P energy: -28.460
tors. eta vs tors. theta energy: -46.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -515.874894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.874894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.874894 (E_RNA)
where:
Base-Base interactions energy: -365.450
where: short stacking energy: -168.294
Base-Backbone interact. energy: -0.161
local terms energy: -150.263402
where:
bonds (distance) C4'-P energy: -25.095
bonds (distance) P-C4' energy: -23.823
flat angles C4'-P-C4' energy: -33.996
flat angles P-C4'-P energy: -19.682
tors. eta vs tors. theta energy: -47.667
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: 6, replica: 7
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -489.849948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.849948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.849948 (E_RNA)
where:
Base-Base interactions energy: -350.709
where: short stacking energy: -143.402
Base-Backbone interact. energy: -0.856
local terms energy: -138.285340
where:
bonds (distance) C4'-P energy: -24.602
bonds (distance) P-C4' energy: -31.673
flat angles C4'-P-C4' energy: -27.454
flat angles P-C4'-P energy: -19.394
tors. eta vs tors. theta energy: -35.162
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: 4
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -459.089174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.089174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.089174 (E_RNA)
where:
Base-Base interactions energy: -314.657
where: short stacking energy: -136.218
Base-Backbone interact. energy: -0.765
local terms energy: -143.667674
where:
bonds (distance) C4'-P energy: -29.498
bonds (distance) P-C4' energy: -22.054
flat angles C4'-P-C4' energy: -34.450
flat angles P-C4'-P energy: -20.626
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: 8, replica: 3
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -416.851917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.851917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.851917 (E_RNA)
where:
Base-Base interactions energy: -285.130
where: short stacking energy: -133.644
Base-Backbone interact. energy: -0.843
local terms energy: -130.878280
where:
bonds (distance) C4'-P energy: -19.628
bonds (distance) P-C4' energy: -26.183
flat angles C4'-P-C4' energy: -28.251
flat angles P-C4'-P energy: -23.647
tors. eta vs tors. theta energy: -33.169
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: 1
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -305.533945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.533945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.533945 (E_RNA)
where:
Base-Base interactions energy: -198.127
where: short stacking energy: -111.344
Base-Backbone interact. energy: -0.296
local terms energy: -107.111315
where:
bonds (distance) C4'-P energy: -23.951
bonds (distance) P-C4' energy: -23.786
flat angles C4'-P-C4' energy: -28.471
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -21.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -300.951754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.951754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.951754 (E_RNA)
where:
Base-Base interactions energy: -188.751
where: short stacking energy: -88.966
Base-Backbone interact. energy: 0.197
local terms energy: -112.397814
where:
bonds (distance) C4'-P energy: -23.903
bonds (distance) P-C4' energy: -28.211
flat angles C4'-P-C4' energy: -23.019
flat angles P-C4'-P energy: -22.919
tors. eta vs tors. theta energy: -14.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -596.512982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.512982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.512982 (E_RNA)
where:
Base-Base interactions energy: -430.250
where: short stacking energy: -174.281
Base-Backbone interact. energy: 1.103
local terms energy: -167.366552
where:
bonds (distance) C4'-P energy: -26.233
bonds (distance) P-C4' energy: -33.326
flat angles C4'-P-C4' energy: -34.873
flat angles P-C4'-P energy: -29.943
tors. eta vs tors. theta energy: -42.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -568.252659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.252659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.252659 (E_RNA)
where:
Base-Base interactions energy: -395.244
where: short stacking energy: -170.866
Base-Backbone interact. energy: -1.423
local terms energy: -171.585260
where:
bonds (distance) C4'-P energy: -31.961
bonds (distance) P-C4' energy: -30.247
flat angles C4'-P-C4' energy: -35.410
flat angles P-C4'-P energy: -26.681
tors. eta vs tors. theta energy: -47.287
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: 9
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -553.088392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.088392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.088392 (E_RNA)
where:
Base-Base interactions energy: -383.416
where: short stacking energy: -160.425
Base-Backbone interact. energy: -0.131
local terms energy: -169.541617
where:
bonds (distance) C4'-P energy: -37.844
bonds (distance) P-C4' energy: -32.202
flat angles C4'-P-C4' energy: -32.325
flat angles P-C4'-P energy: -20.695
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: 4, replica: 8
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -559.059244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.059244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.059244 (E_RNA)
where:
Base-Base interactions energy: -399.492
where: short stacking energy: -175.055
Base-Backbone interact. energy: -0.540
local terms energy: -159.027288
where:
bonds (distance) C4'-P energy: -34.035
bonds (distance) P-C4' energy: -23.836
flat angles C4'-P-C4' energy: -29.123
flat angles P-C4'-P energy: -21.724
tors. eta vs tors. theta energy: -50.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -516.083679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.083679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.083679 (E_RNA)
where:
Base-Base interactions energy: -350.096
where: short stacking energy: -159.056
Base-Backbone interact. energy: -0.064
local terms energy: -165.923064
where:
bonds (distance) C4'-P energy: -28.677
bonds (distance) P-C4' energy: -33.941
flat angles C4'-P-C4' energy: -37.668
flat angles P-C4'-P energy: -19.707
tors. eta vs tors. theta energy: -45.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -503.380048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.380048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.380048 (E_RNA)
where:
Base-Base interactions energy: -357.596
where: short stacking energy: -148.663
Base-Backbone interact. energy: -0.562
local terms energy: -145.221933
where:
bonds (distance) C4'-P energy: -30.711
bonds (distance) P-C4' energy: -24.043
flat angles C4'-P-C4' energy: -33.964
flat angles P-C4'-P energy: -18.772
tors. eta vs tors. theta energy: -37.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -485.483680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.483680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.483680 (E_RNA)
where:
Base-Base interactions energy: -333.882
where: short stacking energy: -159.625
Base-Backbone interact. energy: -1.773
local terms energy: -149.828512
where:
bonds (distance) C4'-P energy: -21.552
bonds (distance) P-C4' energy: -26.772
flat angles C4'-P-C4' energy: -35.817
flat angles P-C4'-P energy: -23.275
tors. eta vs tors. theta energy: -42.412
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: 3
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -422.686335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.686335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.686335 (E_RNA)
where:
Base-Base interactions energy: -287.924
where: short stacking energy: -143.548
Base-Backbone interact. energy: -0.598
local terms energy: -134.163825
where:
bonds (distance) C4'-P energy: -25.005
bonds (distance) P-C4' energy: -38.167
flat angles C4'-P-C4' energy: -25.235
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -34.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -323.362106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.362106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.362106 (E_RNA)
where:
Base-Base interactions energy: -213.094
where: short stacking energy: -102.342
Base-Backbone interact. energy: 2.128
local terms energy: -112.396471
where:
bonds (distance) C4'-P energy: -29.346
bonds (distance) P-C4' energy: -31.138
flat angles C4'-P-C4' energy: -24.140
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -17.470
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: 10
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -297.915968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.915968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.915968 (E_RNA)
where:
Base-Base interactions energy: -179.392
where: short stacking energy: -88.018
Base-Backbone interact. energy: -0.626
local terms energy: -117.898222
where:
bonds (distance) C4'-P energy: -24.298
bonds (distance) P-C4' energy: -28.906
flat angles C4'-P-C4' energy: -30.475
flat angles P-C4'-P energy: -16.881
tors. eta vs tors. theta energy: -17.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -597.069676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.069676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.069676 (E_RNA)
where:
Base-Base interactions energy: -424.845
where: short stacking energy: -177.347
Base-Backbone interact. energy: -0.442
local terms energy: -171.782344
where:
bonds (distance) C4'-P energy: -31.055
bonds (distance) P-C4' energy: -35.209
flat angles C4'-P-C4' energy: -34.373
flat angles P-C4'-P energy: -26.390
tors. eta vs tors. theta energy: -44.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -572.475711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.475711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.475711 (E_RNA)
where:
Base-Base interactions energy: -401.452
where: short stacking energy: -176.320
Base-Backbone interact. energy: -0.256
local terms energy: -170.767860
where:
bonds (distance) C4'-P energy: -27.941
bonds (distance) P-C4' energy: -30.460
flat angles C4'-P-C4' energy: -39.167
flat angles P-C4'-P energy: -24.685
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: 3, replica: 9
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -546.128036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.128036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.128036 (E_RNA)
where:
Base-Base interactions energy: -382.102
where: short stacking energy: -165.450
Base-Backbone interact. energy: -0.061
local terms energy: -163.964725
where:
bonds (distance) C4'-P energy: -28.194
bonds (distance) P-C4' energy: -34.162
flat angles C4'-P-C4' energy: -35.053
flat angles P-C4'-P energy: -21.869
tors. eta vs tors. theta energy: -44.687
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: 6
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -535.005773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.005773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.005773 (E_RNA)
where:
Base-Base interactions energy: -360.958
where: short stacking energy: -168.204
Base-Backbone interact. energy: -0.186
local terms energy: -173.861789
where:
bonds (distance) C4'-P energy: -36.503
bonds (distance) P-C4' energy: -33.217
flat angles C4'-P-C4' energy: -34.577
flat angles P-C4'-P energy: -23.497
tors. eta vs tors. theta energy: -46.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -557.344396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.344396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.344396 (E_RNA)
where:
Base-Base interactions energy: -390.327
where: short stacking energy: -170.720
Base-Backbone interact. energy: -0.259
local terms energy: -166.758206
where:
bonds (distance) C4'-P energy: -32.653
bonds (distance) P-C4' energy: -26.043
flat angles C4'-P-C4' energy: -36.575
flat angles P-C4'-P energy: -21.512
tors. eta vs tors. theta energy: -49.975
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: 7
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -503.981734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.981734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.981734 (E_RNA)
where:
Base-Base interactions energy: -354.477
where: short stacking energy: -148.424
Base-Backbone interact. energy: -0.125
local terms energy: -149.379636
where:
bonds (distance) C4'-P energy: -25.444
bonds (distance) P-C4' energy: -23.131
flat angles C4'-P-C4' energy: -32.968
flat angles P-C4'-P energy: -23.032
tors. eta vs tors. theta energy: -44.805
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: 4
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -434.965319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.965319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.965319 (E_RNA)
where:
Base-Base interactions energy: -312.527
where: short stacking energy: -133.149
Base-Backbone interact. energy: -0.794
local terms energy: -121.644109
where:
bonds (distance) C4'-P energy: -21.024
bonds (distance) P-C4' energy: -26.992
flat angles C4'-P-C4' energy: -28.377
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -31.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -384.366009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.366009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.366009 (E_RNA)
where:
Base-Base interactions energy: -240.519
where: short stacking energy: -116.551
Base-Backbone interact. energy: -0.115
local terms energy: -143.731870
where:
bonds (distance) C4'-P energy: -30.748
bonds (distance) P-C4' energy: -26.553
flat angles C4'-P-C4' energy: -29.732
flat angles P-C4'-P energy: -21.575
tors. eta vs tors. theta energy: -35.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -431.984242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.984242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.984242 (E_RNA)
where:
Base-Base interactions energy: -300.246
where: short stacking energy: -145.121
Base-Backbone interact. energy: -0.801
local terms energy: -130.936650
where:
bonds (distance) C4'-P energy: -25.519
bonds (distance) P-C4' energy: -22.823
flat angles C4'-P-C4' energy: -30.099
flat angles P-C4'-P energy: -20.884
tors. eta vs tors. theta energy: -31.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -275.491481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.491481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.491481 (E_RNA)
where:
Base-Base interactions energy: -165.205
where: short stacking energy: -84.993
Base-Backbone interact. energy: -1.761
local terms energy: -108.525249
where:
bonds (distance) C4'-P energy: -23.512
bonds (distance) P-C4' energy: -27.289
flat angles C4'-P-C4' energy: -28.625
flat angles P-C4'-P energy: -15.328
tors. eta vs tors. theta energy: -13.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -607.124621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.124621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.124621 (E_RNA)
where:
Base-Base interactions energy: -427.247
where: short stacking energy: -174.654
Base-Backbone interact. energy: -0.440
local terms energy: -179.437188
where:
bonds (distance) C4'-P energy: -33.062
bonds (distance) P-C4' energy: -38.664
flat angles C4'-P-C4' energy: -34.238
flat angles P-C4'-P energy: -27.268
tors. eta vs tors. theta energy: -46.204
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: 392
Temperature: 0.950000
Total energy: -566.908116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.908116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.908116 (E_RNA)
where:
Base-Base interactions energy: -397.335
where: short stacking energy: -188.449
Base-Backbone interact. energy: -0.614
local terms energy: -168.959094
where:
bonds (distance) C4'-P energy: -32.443
bonds (distance) P-C4' energy: -29.131
flat angles C4'-P-C4' energy: -37.003
flat angles P-C4'-P energy: -19.647
tors. eta vs tors. theta energy: -50.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -544.413905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.413905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.413905 (E_RNA)
where:
Base-Base interactions energy: -380.127
where: short stacking energy: -173.658
Base-Backbone interact. energy: -0.272
local terms energy: -164.014097
where:
bonds (distance) C4'-P energy: -23.298
bonds (distance) P-C4' energy: -33.665
flat angles C4'-P-C4' energy: -34.608
flat angles P-C4'-P energy: -25.618
tors. eta vs tors. theta energy: -46.825
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: 9
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -539.973673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.973673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.973673 (E_RNA)
where:
Base-Base interactions energy: -378.993
where: short stacking energy: -151.854
Base-Backbone interact. energy: -0.463
local terms energy: -160.517686
where:
bonds (distance) C4'-P energy: -34.998
bonds (distance) P-C4' energy: -22.478
flat angles C4'-P-C4' energy: -32.592
flat angles P-C4'-P energy: -22.872
tors. eta vs tors. theta energy: -47.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -546.605839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.605839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.605839 (E_RNA)
where:
Base-Base interactions energy: -388.894
where: short stacking energy: -162.744
Base-Backbone interact. energy: -0.319
local terms energy: -157.392783
where:
bonds (distance) C4'-P energy: -29.519
bonds (distance) P-C4' energy: -28.013
flat angles C4'-P-C4' energy: -34.103
flat angles P-C4'-P energy: -21.820
tors. eta vs tors. theta energy: -43.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -463.958163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.958163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.958163 (E_RNA)
where:
Base-Base interactions energy: -329.349
where: short stacking energy: -129.953
Base-Backbone interact. energy: 0.322
local terms energy: -134.931362
where:
bonds (distance) C4'-P energy: -28.368
bonds (distance) P-C4' energy: -29.858
flat angles C4'-P-C4' energy: -26.939
flat angles P-C4'-P energy: -23.673
tors. eta vs tors. theta energy: -26.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -416.418802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.418802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.418802 (E_RNA)
where:
Base-Base interactions energy: -273.716
where: short stacking energy: -140.331
Base-Backbone interact. energy: 0.200
local terms energy: -142.902911
where:
bonds (distance) C4'-P energy: -22.528
bonds (distance) P-C4' energy: -25.574
flat angles C4'-P-C4' energy: -36.325
flat angles P-C4'-P energy: -24.338
tors. eta vs tors. theta energy: -34.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -444.881833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.881833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.881833 (E_RNA)
where:
Base-Base interactions energy: -310.102
where: short stacking energy: -139.125
Base-Backbone interact. energy: -0.366
local terms energy: -134.413474
where:
bonds (distance) C4'-P energy: -27.510
bonds (distance) P-C4' energy: -22.816
flat angles C4'-P-C4' energy: -26.939
flat angles P-C4'-P energy: -20.171
tors. eta vs tors. theta energy: -36.977
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: 3
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -405.222914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.222914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.222914 (E_RNA)
where:
Base-Base interactions energy: -280.942
where: short stacking energy: -119.463
Base-Backbone interact. energy: 0.479
local terms energy: -124.759758
where:
bonds (distance) C4'-P energy: -25.294
bonds (distance) P-C4' energy: -26.645
flat angles C4'-P-C4' energy: -28.740
flat angles P-C4'-P energy: -15.336
tors. eta vs tors. theta energy: -28.744
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: 392
Temperature: 1.350000
Total energy: -253.165908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.165908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.165908 (E_RNA)
where:
Base-Base interactions energy: -152.770
where: short stacking energy: -75.276
Base-Backbone interact. energy: -0.372
local terms energy: -100.024181
where:
bonds (distance) C4'-P energy: -18.406
bonds (distance) P-C4' energy: -34.007
flat angles C4'-P-C4' energy: -25.249
flat angles P-C4'-P energy: -9.503
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: 2
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -601.365464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.365464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.365464 (E_RNA)
where:
Base-Base interactions energy: -425.804
where: short stacking energy: -177.407
Base-Backbone interact. energy: -0.476
local terms energy: -175.085105
where:
bonds (distance) C4'-P energy: -28.273
bonds (distance) P-C4' energy: -33.882
flat angles C4'-P-C4' energy: -39.272
flat angles P-C4'-P energy: -27.629
tors. eta vs tors. theta energy: -46.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -582.275966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.275966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.275966 (E_RNA)
where:
Base-Base interactions energy: -410.085
where: short stacking energy: -180.067
Base-Backbone interact. energy: -0.682
local terms energy: -171.508625
where:
bonds (distance) C4'-P energy: -33.311
bonds (distance) P-C4' energy: -32.851
flat angles C4'-P-C4' energy: -35.630
flat angles P-C4'-P energy: -18.455
tors. eta vs tors. theta energy: -51.261
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: 6
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -554.738846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.738846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.738846 (E_RNA)
where:
Base-Base interactions energy: -385.412
where: short stacking energy: -170.924
Base-Backbone interact. energy: -0.970
local terms energy: -168.357484
where:
bonds (distance) C4'-P energy: -30.906
bonds (distance) P-C4' energy: -26.365
flat angles C4'-P-C4' energy: -34.546
flat angles P-C4'-P energy: -26.422
tors. eta vs tors. theta energy: -50.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -558.540636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.540636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.540636 (E_RNA)
where:
Base-Base interactions energy: -390.033
where: short stacking energy: -164.599
Base-Backbone interact. energy: -0.465
local terms energy: -168.042276
where:
bonds (distance) C4'-P energy: -29.164
bonds (distance) P-C4' energy: -29.502
flat angles C4'-P-C4' energy: -35.356
flat angles P-C4'-P energy: -26.693
tors. eta vs tors. theta energy: -47.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -526.140705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.140705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.140705 (E_RNA)
where:
Base-Base interactions energy: -375.461
where: short stacking energy: -156.851
Base-Backbone interact. energy: 0.409
local terms energy: -151.088177
where:
bonds (distance) C4'-P energy: -26.261
bonds (distance) P-C4' energy: -35.562
flat angles C4'-P-C4' energy: -33.726
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -42.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -483.882971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.882971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.882971 (E_RNA)
where:
Base-Base interactions energy: -329.558
where: short stacking energy: -135.725
Base-Backbone interact. energy: -0.541
local terms energy: -153.783861
where:
bonds (distance) C4'-P energy: -30.724
bonds (distance) P-C4' energy: -30.206
flat angles C4'-P-C4' energy: -31.511
flat angles P-C4'-P energy: -24.015
tors. eta vs tors. theta energy: -37.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -416.693161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.693161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.693161 (E_RNA)
where:
Base-Base interactions energy: -276.355
where: short stacking energy: -144.991
Base-Backbone interact. energy: -0.311
local terms energy: -140.027790
where:
bonds (distance) C4'-P energy: -33.030
bonds (distance) P-C4' energy: -26.091
flat angles C4'-P-C4' energy: -30.002
flat angles P-C4'-P energy: -14.373
tors. eta vs tors. theta energy: -36.532
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: 4
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -437.243257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.243257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.243257 (E_RNA)
where:
Base-Base interactions energy: -311.306
where: short stacking energy: -136.932
Base-Backbone interact. energy: -1.266
local terms energy: -124.671166
where:
bonds (distance) C4'-P energy: -22.181
bonds (distance) P-C4' energy: -24.092
flat angles C4'-P-C4' energy: -28.726
flat angles P-C4'-P energy: -16.562
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: 9, replica: 3
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -408.040221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.040221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.040221 (E_RNA)
where:
Base-Base interactions energy: -278.786
where: short stacking energy: -114.949
Base-Backbone interact. energy: -0.391
local terms energy: -128.863803
where:
bonds (distance) C4'-P energy: -30.468
bonds (distance) P-C4' energy: -21.481
flat angles C4'-P-C4' energy: -29.580
flat angles P-C4'-P energy: -23.498
tors. eta vs tors. theta energy: -23.838
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: 10
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -257.404458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.404458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.404458 (E_RNA)
where:
Base-Base interactions energy: -155.430
where: short stacking energy: -77.487
Base-Backbone interact. energy: -0.189
local terms energy: -101.785540
where:
bonds (distance) C4'-P energy: -19.754
bonds (distance) P-C4' energy: -28.305
flat angles C4'-P-C4' energy: -25.597
flat angles P-C4'-P energy: -13.813
tors. eta vs tors. theta energy: -14.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -594.966046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.966046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.966046 (E_RNA)
where:
Base-Base interactions energy: -412.747
where: short stacking energy: -177.662
Base-Backbone interact. energy: -0.946
local terms energy: -181.272835
where:
bonds (distance) C4'-P energy: -37.549
bonds (distance) P-C4' energy: -36.221
flat angles C4'-P-C4' energy: -35.126
flat angles P-C4'-P energy: -25.753
tors. eta vs tors. theta energy: -46.624
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: 394
Temperature: 0.950000
Total energy: -570.697455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.697455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.697455 (E_RNA)
where:
Base-Base interactions energy: -399.298
where: short stacking energy: -178.632
Base-Backbone interact. energy: 0.223
local terms energy: -171.622503
where:
bonds (distance) C4'-P energy: -30.666
bonds (distance) P-C4' energy: -27.874
flat angles C4'-P-C4' energy: -34.693
flat angles P-C4'-P energy: -27.021
tors. eta vs tors. theta energy: -51.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -564.952099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.952099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.952099 (E_RNA)
where:
Base-Base interactions energy: -401.668
where: short stacking energy: -176.478
Base-Backbone interact. energy: 0.340
local terms energy: -163.624299
where:
bonds (distance) C4'-P energy: -25.379
bonds (distance) P-C4' energy: -28.497
flat angles C4'-P-C4' energy: -33.430
flat angles P-C4'-P energy: -21.509
tors. eta vs tors. theta energy: -54.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -529.545088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.545088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.545088 (E_RNA)
where:
Base-Base interactions energy: -363.378
where: short stacking energy: -167.062
Base-Backbone interact. energy: -1.698
local terms energy: -164.469167
where:
bonds (distance) C4'-P energy: -28.900
bonds (distance) P-C4' energy: -30.816
flat angles C4'-P-C4' energy: -40.177
flat angles P-C4'-P energy: -19.015
tors. eta vs tors. theta energy: -45.562
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: 9
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -520.487380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.487380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.487380 (E_RNA)
where:
Base-Base interactions energy: -352.191
where: short stacking energy: -153.028
Base-Backbone interact. energy: -0.319
local terms energy: -167.977356
where:
bonds (distance) C4'-P energy: -33.953
bonds (distance) P-C4' energy: -34.206
flat angles C4'-P-C4' energy: -34.775
flat angles P-C4'-P energy: -19.248
tors. eta vs tors. theta energy: -45.795
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: 6, replica: 7
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -483.286940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.286940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.286940 (E_RNA)
where:
Base-Base interactions energy: -351.901
where: short stacking energy: -138.992
Base-Backbone interact. energy: -0.339
local terms energy: -131.046581
where:
bonds (distance) C4'-P energy: -22.046
bonds (distance) P-C4' energy: -27.529
flat angles C4'-P-C4' energy: -29.285
flat angles P-C4'-P energy: -19.173
tors. eta vs tors. theta energy: -33.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -450.076342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.076342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.076342 (E_RNA)
where:
Base-Base interactions energy: -315.086
where: short stacking energy: -145.938
Base-Backbone interact. energy: -0.192
local terms energy: -134.797793
where:
bonds (distance) C4'-P energy: -20.588
bonds (distance) P-C4' energy: -23.240
flat angles C4'-P-C4' energy: -30.432
flat angles P-C4'-P energy: -23.718
tors. eta vs tors. theta energy: -36.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -386.610570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.610570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.610570 (E_RNA)
where:
Base-Base interactions energy: -245.182
where: short stacking energy: -133.784
Base-Backbone interact. energy: -0.153
local terms energy: -141.275123
where:
bonds (distance) C4'-P energy: -30.436
bonds (distance) P-C4' energy: -30.657
flat angles C4'-P-C4' energy: -26.886
flat angles P-C4'-P energy: -20.657
tors. eta vs tors. theta energy: -32.639
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: 3
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -390.308557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.308557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.308557 (E_RNA)
where:
Base-Base interactions energy: -261.277
where: short stacking energy: -115.986
Base-Backbone interact. energy: -0.469
local terms energy: -128.562639
where:
bonds (distance) C4'-P energy: -22.212
bonds (distance) P-C4' energy: -26.765
flat angles C4'-P-C4' energy: -28.221
flat angles P-C4'-P energy: -19.803
tors. eta vs tors. theta energy: -31.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -300.673399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.673399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.673399 (E_RNA)
where:
Base-Base interactions energy: -173.186
where: short stacking energy: -85.947
Base-Backbone interact. energy: -0.621
local terms energy: -126.865638
where:
bonds (distance) C4'-P energy: -28.814
bonds (distance) P-C4' energy: -27.106
flat angles C4'-P-C4' energy: -31.902
flat angles P-C4'-P energy: -18.163
tors. eta vs tors. theta energy: -20.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -598.282553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.282553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.282553 (E_RNA)
where:
Base-Base interactions energy: -427.155
where: short stacking energy: -174.500
Base-Backbone interact. energy: 0.629
local terms energy: -171.756726
where:
bonds (distance) C4'-P energy: -34.583
bonds (distance) P-C4' energy: -32.708
flat angles C4'-P-C4' energy: -36.567
flat angles P-C4'-P energy: -22.000
tors. eta vs tors. theta energy: -45.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -575.373313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.373313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.373313 (E_RNA)
where:
Base-Base interactions energy: -397.374
where: short stacking energy: -169.720
Base-Backbone interact. energy: -0.206
local terms energy: -177.793819
where:
bonds (distance) C4'-P energy: -29.889
bonds (distance) P-C4' energy: -33.493
flat angles C4'-P-C4' energy: -38.188
flat angles P-C4'-P energy: -25.976
tors. eta vs tors. theta energy: -50.248
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: 5
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -560.558353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.558353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.558353 (E_RNA)
where:
Base-Base interactions energy: -394.781
where: short stacking energy: -172.860
Base-Backbone interact. energy: -0.092
local terms energy: -165.686142
where:
bonds (distance) C4'-P energy: -31.588
bonds (distance) P-C4' energy: -27.796
flat angles C4'-P-C4' energy: -35.555
flat angles P-C4'-P energy: -21.955
tors. eta vs tors. theta energy: -48.793
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: 4, replica: 9
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -549.345781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.345781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.345781 (E_RNA)
where:
Base-Base interactions energy: -393.160
where: short stacking energy: -158.164
Base-Backbone interact. energy: -0.527
local terms energy: -155.659521
where:
bonds (distance) C4'-P energy: -25.729
bonds (distance) P-C4' energy: -31.516
flat angles C4'-P-C4' energy: -31.678
flat angles P-C4'-P energy: -21.893
tors. eta vs tors. theta energy: -44.844
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: 5, replica: 6
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -529.696379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.696379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.696379 (E_RNA)
where:
Base-Base interactions energy: -362.406
where: short stacking energy: -168.486
Base-Backbone interact. energy: -0.245
local terms energy: -167.045786
where:
bonds (distance) C4'-P energy: -29.201
bonds (distance) P-C4' energy: -35.368
flat angles C4'-P-C4' energy: -33.338
flat angles P-C4'-P energy: -19.389
tors. eta vs tors. theta energy: -49.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -481.483082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.483082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.483082 (E_RNA)
where:
Base-Base interactions energy: -333.262
where: short stacking energy: -167.473
Base-Backbone interact. energy: -0.903
local terms energy: -147.317956
where:
bonds (distance) C4'-P energy: -22.193
bonds (distance) P-C4' energy: -28.767
flat angles C4'-P-C4' energy: -33.497
flat angles P-C4'-P energy: -16.815
tors. eta vs tors. theta energy: -46.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -497.623483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.623483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.623483 (E_RNA)
where:
Base-Base interactions energy: -353.783
where: short stacking energy: -147.580
Base-Backbone interact. energy: -0.428
local terms energy: -143.411645
where:
bonds (distance) C4'-P energy: -25.573
bonds (distance) P-C4' energy: -26.771
flat angles C4'-P-C4' energy: -30.542
flat angles P-C4'-P energy: -19.512
tors. eta vs tors. theta energy: -41.013
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: 3
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -396.910053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.910053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.910053 (E_RNA)
where:
Base-Base interactions energy: -268.420
where: short stacking energy: -127.979
Base-Backbone interact. energy: -0.252
local terms energy: -128.237933
where:
bonds (distance) C4'-P energy: -27.710
bonds (distance) P-C4' energy: -30.020
flat angles C4'-P-C4' energy: -28.316
flat angles P-C4'-P energy: -18.814
tors. eta vs tors. theta energy: -23.378
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: 1
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -339.998116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.998116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.998116 (E_RNA)
where:
Base-Base interactions energy: -224.160
where: short stacking energy: -119.167
Base-Backbone interact. energy: -0.427
local terms energy: -115.411311
where:
bonds (distance) C4'-P energy: -24.930
bonds (distance) P-C4' energy: -21.454
flat angles C4'-P-C4' energy: -28.005
flat angles P-C4'-P energy: -17.745
tors. eta vs tors. theta energy: -23.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -305.402099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.402099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.402099 (E_RNA)
where:
Base-Base interactions energy: -186.411
where: short stacking energy: -96.207
Base-Backbone interact. energy: -0.225
local terms energy: -118.765554
where:
bonds (distance) C4'-P energy: -33.049
bonds (distance) P-C4' energy: -25.685
flat angles C4'-P-C4' energy: -24.401
flat angles P-C4'-P energy: -12.543
tors. eta vs tors. theta energy: -23.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -605.963278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.963278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.963278 (E_RNA)
where:
Base-Base interactions energy: -435.936
where: short stacking energy: -175.801
Base-Backbone interact. energy: -1.375
local terms energy: -168.652594
where:
bonds (distance) C4'-P energy: -33.389
bonds (distance) P-C4' energy: -30.553
flat angles C4'-P-C4' energy: -35.166
flat angles P-C4'-P energy: -24.286
tors. eta vs tors. theta energy: -45.260
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: 8
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -573.510512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.510512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.510512 (E_RNA)
where:
Base-Base interactions energy: -402.194
where: short stacking energy: -176.233
Base-Backbone interact. energy: -0.255
local terms energy: -171.061541
where:
bonds (distance) C4'-P energy: -31.949
bonds (distance) P-C4' energy: -29.423
flat angles C4'-P-C4' energy: -36.470
flat angles P-C4'-P energy: -25.458
tors. eta vs tors. theta energy: -47.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -548.471104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.471104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.471104 (E_RNA)
where:
Base-Base interactions energy: -383.806
where: short stacking energy: -162.614
Base-Backbone interact. energy: 1.807
local terms energy: -166.472434
where:
bonds (distance) C4'-P energy: -32.725
bonds (distance) P-C4' energy: -35.770
flat angles C4'-P-C4' energy: -31.929
flat angles P-C4'-P energy: -17.820
tors. eta vs tors. theta energy: -48.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -546.667613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.667613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.667613 (E_RNA)
where:
Base-Base interactions energy: -383.879
where: short stacking energy: -164.345
Base-Backbone interact. energy: -0.526
local terms energy: -162.262598
where:
bonds (distance) C4'-P energy: -24.949
bonds (distance) P-C4' energy: -32.489
flat angles C4'-P-C4' energy: -33.767
flat angles P-C4'-P energy: -26.554
tors. eta vs tors. theta energy: -44.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -534.041392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.041392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.041392 (E_RNA)
where:
Base-Base interactions energy: -375.797
where: short stacking energy: -184.594
Base-Backbone interact. energy: -0.594
local terms energy: -157.650805
where:
bonds (distance) C4'-P energy: -31.244
bonds (distance) P-C4' energy: -30.543
flat angles C4'-P-C4' energy: -25.214
flat angles P-C4'-P energy: -17.036
tors. eta vs tors. theta energy: -53.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -468.783142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.783142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.783142 (E_RNA)
where:
Base-Base interactions energy: -325.157
where: short stacking energy: -145.135
Base-Backbone interact. energy: -0.147
local terms energy: -143.479508
where:
bonds (distance) C4'-P energy: -28.951
bonds (distance) P-C4' energy: -27.843
flat angles C4'-P-C4' energy: -29.599
flat angles P-C4'-P energy: -18.078
tors. eta vs tors. theta energy: -39.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -486.181320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.181320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.181320 (E_RNA)
where:
Base-Base interactions energy: -342.372
where: short stacking energy: -134.455
Base-Backbone interact. energy: -0.969
local terms energy: -142.841084
where:
bonds (distance) C4'-P energy: -33.101
bonds (distance) P-C4' energy: -28.578
flat angles C4'-P-C4' energy: -21.698
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -41.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -428.902157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.902157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.902157 (E_RNA)
where:
Base-Base interactions energy: -283.461
where: short stacking energy: -128.535
Base-Backbone interact. energy: 1.083
local terms energy: -146.524559
where:
bonds (distance) C4'-P energy: -27.673
bonds (distance) P-C4' energy: -28.705
flat angles C4'-P-C4' energy: -32.107
flat angles P-C4'-P energy: -28.025
tors. eta vs tors. theta energy: -30.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -319.910914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.910914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.910914 (E_RNA)
where:
Base-Base interactions energy: -196.642
where: short stacking energy: -95.419
Base-Backbone interact. energy: 0.392
local terms energy: -123.661576
where:
bonds (distance) C4'-P energy: -27.687
bonds (distance) P-C4' energy: -30.481
flat angles C4'-P-C4' energy: -27.846
flat angles P-C4'-P energy: -21.367
tors. eta vs tors. theta energy: -16.281
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: 396
Temperature: 1.350000
Total energy: -281.608701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.608701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.608701 (E_RNA)
where:
Base-Base interactions energy: -181.594
where: short stacking energy: -79.914
Base-Backbone interact. energy: 3.183
local terms energy: -103.198328
where:
bonds (distance) C4'-P energy: -22.676
bonds (distance) P-C4' energy: -27.960
flat angles C4'-P-C4' energy: -29.775
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -11.251
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: 2
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -599.401931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.401931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.401931 (E_RNA)
where:
Base-Base interactions energy: -429.424
where: short stacking energy: -177.881
Base-Backbone interact. energy: -0.351
local terms energy: -169.626473
where:
bonds (distance) C4'-P energy: -33.932
bonds (distance) P-C4' energy: -31.391
flat angles C4'-P-C4' energy: -34.517
flat angles P-C4'-P energy: -27.179
tors. eta vs tors. theta energy: -42.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -567.497111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.497111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.497111 (E_RNA)
where:
Base-Base interactions energy: -393.626
where: short stacking energy: -167.302
Base-Backbone interact. energy: -0.838
local terms energy: -173.033197
where:
bonds (distance) C4'-P energy: -33.319
bonds (distance) P-C4' energy: -33.217
flat angles C4'-P-C4' energy: -32.731
flat angles P-C4'-P energy: -25.851
tors. eta vs tors. theta energy: -47.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -558.559846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.559846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.559846 (E_RNA)
where:
Base-Base interactions energy: -396.771
where: short stacking energy: -163.202
Base-Backbone interact. energy: -0.879
local terms energy: -160.909403
where:
bonds (distance) C4'-P energy: -31.845
bonds (distance) P-C4' energy: -28.684
flat angles C4'-P-C4' energy: -35.416
flat angles P-C4'-P energy: -21.130
tors. eta vs tors. theta energy: -43.835
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: 5
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -537.114974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.114974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.114974 (E_RNA)
where:
Base-Base interactions energy: -366.649
where: short stacking energy: -168.631
Base-Backbone interact. energy: 1.336
local terms energy: -171.802224
where:
bonds (distance) C4'-P energy: -34.719
bonds (distance) P-C4' energy: -30.528
flat angles C4'-P-C4' energy: -34.223
flat angles P-C4'-P energy: -30.420
tors. eta vs tors. theta energy: -41.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -519.918226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.918226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.918226 (E_RNA)
where:
Base-Base interactions energy: -352.446
where: short stacking energy: -157.314
Base-Backbone interact. energy: -0.047
local terms energy: -167.425854
where:
bonds (distance) C4'-P energy: -36.214
bonds (distance) P-C4' energy: -28.004
flat angles C4'-P-C4' energy: -30.618
flat angles P-C4'-P energy: -26.097
tors. eta vs tors. theta energy: -46.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -518.022884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.022884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.022884 (E_RNA)
where:
Base-Base interactions energy: -365.075
where: short stacking energy: -171.747
Base-Backbone interact. energy: -0.995
local terms energy: -151.952043
where:
bonds (distance) C4'-P energy: -23.752
bonds (distance) P-C4' energy: -30.711
flat angles C4'-P-C4' energy: -34.986
flat angles P-C4'-P energy: -21.989
tors. eta vs tors. theta energy: -40.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -470.229994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.229994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.229994 (E_RNA)
where:
Base-Base interactions energy: -320.677
where: short stacking energy: -139.854
Base-Backbone interact. energy: -1.619
local terms energy: -147.933927
where:
bonds (distance) C4'-P energy: -25.985
bonds (distance) P-C4' energy: -31.865
flat angles C4'-P-C4' energy: -32.829
flat angles P-C4'-P energy: -25.364
tors. eta vs tors. theta energy: -31.891
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: 3
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -409.898978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.898978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.898978 (E_RNA)
where:
Base-Base interactions energy: -271.687
where: short stacking energy: -130.226
Base-Backbone interact. energy: -0.197
local terms energy: -138.015233
where:
bonds (distance) C4'-P energy: -30.329
bonds (distance) P-C4' energy: -28.393
flat angles C4'-P-C4' energy: -32.567
flat angles P-C4'-P energy: -21.400
tors. eta vs tors. theta energy: -25.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -363.836055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.836055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.836055 (E_RNA)
where:
Base-Base interactions energy: -244.861
where: short stacking energy: -97.548
Base-Backbone interact. energy: -1.735
local terms energy: -117.240628
where:
bonds (distance) C4'-P energy: -18.086
bonds (distance) P-C4' energy: -31.610
flat angles C4'-P-C4' energy: -31.619
flat angles P-C4'-P energy: -16.793
tors. eta vs tors. theta energy: -19.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -367.389940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.389940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.389940 (E_RNA)
where:
Base-Base interactions energy: -248.187
where: short stacking energy: -103.240
Base-Backbone interact. energy: -1.039
local terms energy: -118.163187
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -33.729
flat angles C4'-P-C4' energy: -27.872
flat angles P-C4'-P energy: -17.475
tors. eta vs tors. theta energy: -21.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -599.294619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.294619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.294619 (E_RNA)
where:
Base-Base interactions energy: -431.134
where: short stacking energy: -169.442
Base-Backbone interact. energy: -1.238
local terms energy: -166.922783
where:
bonds (distance) C4'-P energy: -27.907
bonds (distance) P-C4' energy: -34.560
flat angles C4'-P-C4' energy: -31.514
flat angles P-C4'-P energy: -27.905
tors. eta vs tors. theta energy: -45.038
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: 2, replica: 8
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -570.928602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.928602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.928602 (E_RNA)
where:
Base-Base interactions energy: -391.252
where: short stacking energy: -163.603
Base-Backbone interact. energy: -0.568
local terms energy: -179.108055
where:
bonds (distance) C4'-P energy: -34.193
bonds (distance) P-C4' energy: -36.165
flat angles C4'-P-C4' energy: -35.759
flat angles P-C4'-P energy: -25.588
tors. eta vs tors. theta energy: -47.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -560.717038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.717038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.717038 (E_RNA)
where:
Base-Base interactions energy: -389.216
where: short stacking energy: -176.030
Base-Backbone interact. energy: -0.181
local terms energy: -171.319928
where:
bonds (distance) C4'-P energy: -23.306
bonds (distance) P-C4' energy: -30.816
flat angles C4'-P-C4' energy: -38.818
flat angles P-C4'-P energy: -26.578
tors. eta vs tors. theta energy: -51.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -552.837622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.837622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.837622 (E_RNA)
where:
Base-Base interactions energy: -392.795
where: short stacking energy: -163.599
Base-Backbone interact. energy: -0.915
local terms energy: -159.127786
where:
bonds (distance) C4'-P energy: -30.852
bonds (distance) P-C4' energy: -30.873
flat angles C4'-P-C4' energy: -29.390
flat angles P-C4'-P energy: -20.881
tors. eta vs tors. theta energy: -47.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -521.074832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.074832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.074832 (E_RNA)
where:
Base-Base interactions energy: -360.088
where: short stacking energy: -164.696
Base-Backbone interact. energy: -0.419
local terms energy: -160.567283
where:
bonds (distance) C4'-P energy: -31.476
bonds (distance) P-C4' energy: -26.771
flat angles C4'-P-C4' energy: -35.272
flat angles P-C4'-P energy: -21.107
tors. eta vs tors. theta energy: -45.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -521.827033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.827033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.827033 (E_RNA)
where:
Base-Base interactions energy: -360.328
where: short stacking energy: -161.077
Base-Backbone interact. energy: -2.195
local terms energy: -159.303695
where:
bonds (distance) C4'-P energy: -33.227
bonds (distance) P-C4' energy: -25.553
flat angles C4'-P-C4' energy: -31.686
flat angles P-C4'-P energy: -23.698
tors. eta vs tors. theta energy: -45.139
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: 3
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -446.262204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.262204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.262204 (E_RNA)
where:
Base-Base interactions energy: -312.525
where: short stacking energy: -138.467
Base-Backbone interact. energy: -1.088
local terms energy: -132.649228
where:
bonds (distance) C4'-P energy: -22.119
bonds (distance) P-C4' energy: -33.094
flat angles C4'-P-C4' energy: -26.101
flat angles P-C4'-P energy: -18.765
tors. eta vs tors. theta energy: -32.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -460.427398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.427398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.427398 (E_RNA)
where:
Base-Base interactions energy: -327.705
where: short stacking energy: -138.305
Base-Backbone interact. energy: -1.474
local terms energy: -131.248267
where:
bonds (distance) C4'-P energy: -20.099
bonds (distance) P-C4' energy: -28.115
flat angles C4'-P-C4' energy: -30.859
flat angles P-C4'-P energy: -22.351
tors. eta vs tors. theta energy: -29.823
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: 10
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -432.957901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.957901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.957901 (E_RNA)
where:
Base-Base interactions energy: -282.161
where: short stacking energy: -151.745
Base-Backbone interact. energy: -0.178
local terms energy: -150.618335
where:
bonds (distance) C4'-P energy: -27.825
bonds (distance) P-C4' energy: -35.798
flat angles C4'-P-C4' energy: -30.813
flat angles P-C4'-P energy: -15.736
tors. eta vs tors. theta energy: -40.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -353.338849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.338849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.338849 (E_RNA)
where:
Base-Base interactions energy: -235.562
where: short stacking energy: -106.778
Base-Backbone interact. energy: -1.080
local terms energy: -116.696673
where:
bonds (distance) C4'-P energy: -23.863
bonds (distance) P-C4' energy: -27.067
flat angles C4'-P-C4' energy: -30.074
flat angles P-C4'-P energy: -19.785
tors. eta vs tors. theta energy: -15.909
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: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -598.917782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.917782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.917782 (E_RNA)
where:
Base-Base interactions energy: -431.891
where: short stacking energy: -185.848
Base-Backbone interact. energy: -0.787
local terms energy: -166.239854
where:
bonds (distance) C4'-P energy: -25.651
bonds (distance) P-C4' energy: -33.329
flat angles C4'-P-C4' energy: -36.282
flat angles P-C4'-P energy: -24.507
tors. eta vs tors. theta energy: -46.472
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: 399
Temperature: 0.950000
Total energy: -571.062361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.062361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.062361 (E_RNA)
where:
Base-Base interactions energy: -396.824
where: short stacking energy: -172.841
Base-Backbone interact. energy: -0.092
local terms energy: -174.147162
where:
bonds (distance) C4'-P energy: -31.766
bonds (distance) P-C4' energy: -30.103
flat angles C4'-P-C4' energy: -32.688
flat angles P-C4'-P energy: -30.163
tors. eta vs tors. theta energy: -49.428
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: 8
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -569.275093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.275093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.275093 (E_RNA)
where:
Base-Base interactions energy: -397.972
where: short stacking energy: -164.993
Base-Backbone interact. energy: -1.094
local terms energy: -170.208710
where:
bonds (distance) C4'-P energy: -28.787
bonds (distance) P-C4' energy: -35.909
flat angles C4'-P-C4' energy: -32.783
flat angles P-C4'-P energy: -19.466
tors. eta vs tors. theta energy: -53.264
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: 6
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -537.293069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.293069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.293069 (E_RNA)
where:
Base-Base interactions energy: -370.577
where: short stacking energy: -165.734
Base-Backbone interact. energy: -0.146
local terms energy: -166.570130
where:
bonds (distance) C4'-P energy: -32.696
bonds (distance) P-C4' energy: -28.936
flat angles C4'-P-C4' energy: -33.474
flat angles P-C4'-P energy: -21.414
tors. eta vs tors. theta energy: -50.050
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: 9
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -539.877349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.877349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.877349 (E_RNA)
where:
Base-Base interactions energy: -374.756
where: short stacking energy: -153.320
Base-Backbone interact. energy: -0.026
local terms energy: -165.095839
where:
bonds (distance) C4'-P energy: -35.024
bonds (distance) P-C4' energy: -29.934
flat angles C4'-P-C4' energy: -32.221
flat angles P-C4'-P energy: -20.139
tors. eta vs tors. theta energy: -47.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -545.917511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.917511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.917511 (E_RNA)
where:
Base-Base interactions energy: -374.944
where: short stacking energy: -168.520
Base-Backbone interact. energy: -0.039
local terms energy: -170.934866
where:
bonds (distance) C4'-P energy: -36.252
bonds (distance) P-C4' energy: -27.100
flat angles C4'-P-C4' energy: -38.446
flat angles P-C4'-P energy: -22.615
tors. eta vs tors. theta energy: -46.521
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: 3
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -452.044897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.044897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.044897 (E_RNA)
where:
Base-Base interactions energy: -302.442
where: short stacking energy: -140.377
Base-Backbone interact. energy: -0.844
local terms energy: -148.759124
where:
bonds (distance) C4'-P energy: -28.594
bonds (distance) P-C4' energy: -32.433
flat angles C4'-P-C4' energy: -33.640
flat angles P-C4'-P energy: -14.827
tors. eta vs tors. theta energy: -39.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -441.518974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.518974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.518974 (E_RNA)
where:
Base-Base interactions energy: -299.645
where: short stacking energy: -128.524
Base-Backbone interact. energy: -0.592
local terms energy: -141.282192
where:
bonds (distance) C4'-P energy: -27.718
bonds (distance) P-C4' energy: -29.027
flat angles C4'-P-C4' energy: -35.541
flat angles P-C4'-P energy: -15.704
tors. eta vs tors. theta energy: -33.292
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: 10
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -419.983253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.983253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.983253 (E_RNA)
where:
Base-Base interactions energy: -278.862
where: short stacking energy: -126.551
Base-Backbone interact. energy: -0.938
local terms energy: -140.182668
where:
bonds (distance) C4'-P energy: -18.544
bonds (distance) P-C4' energy: -34.596
flat angles C4'-P-C4' energy: -29.052
flat angles P-C4'-P energy: -25.014
tors. eta vs tors. theta energy: -32.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -284.866306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.866306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.866306 (E_RNA)
where:
Base-Base interactions energy: -182.378
where: short stacking energy: -97.732
Base-Backbone interact. energy: 0.070
local terms energy: -102.558066
where:
bonds (distance) C4'-P energy: -17.186
bonds (distance) P-C4' energy: -29.848
flat angles C4'-P-C4' energy: -25.561
flat angles P-C4'-P energy: -17.370
tors. eta vs tors. theta energy: -12.593
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: 2
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -601.550398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.550398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.550398 (E_RNA)
where:
Base-Base interactions energy: -426.438
where: short stacking energy: -173.292
Base-Backbone interact. energy: -0.486
local terms energy: -174.626437
where:
bonds (distance) C4'-P energy: -37.126
bonds (distance) P-C4' energy: -36.268
flat angles C4'-P-C4' energy: -33.366
flat angles P-C4'-P energy: -21.426
tors. eta vs tors. theta energy: -46.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -573.031099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.031099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.031099 (E_RNA)
where:
Base-Base interactions energy: -399.435
where: short stacking energy: -175.945
Base-Backbone interact. energy: -0.485
local terms energy: -173.111046
where:
bonds (distance) C4'-P energy: -30.074
bonds (distance) P-C4' energy: -32.527
flat angles C4'-P-C4' energy: -35.688
flat angles P-C4'-P energy: -23.759
tors. eta vs tors. theta energy: -51.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -573.907302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.907302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.907302 (E_RNA)
where:
Base-Base interactions energy: -393.645
where: short stacking energy: -167.861
Base-Backbone interact. energy: -0.371
local terms energy: -179.891153
where:
bonds (distance) C4'-P energy: -37.533
bonds (distance) P-C4' energy: -35.200
flat angles C4'-P-C4' energy: -36.402
flat angles P-C4'-P energy: -23.560
tors. eta vs tors. theta energy: -47.196
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: 6
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -552.697150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.697150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.697150 (E_RNA)
where:
Base-Base interactions energy: -376.038
where: short stacking energy: -177.521
Base-Backbone interact. energy: -0.399
local terms energy: -176.260153
where:
bonds (distance) C4'-P energy: -24.749
bonds (distance) P-C4' energy: -37.030
flat angles C4'-P-C4' energy: -33.644
flat angles P-C4'-P energy: -29.964
tors. eta vs tors. theta energy: -50.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -531.768253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.768253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.768253 (E_RNA)
where:
Base-Base interactions energy: -383.679
where: short stacking energy: -168.322
Base-Backbone interact. energy: -0.502
local terms energy: -147.587082
where:
bonds (distance) C4'-P energy: -20.632
bonds (distance) P-C4' energy: -28.655
flat angles C4'-P-C4' energy: -32.434
flat angles P-C4'-P energy: -20.207
tors. eta vs tors. theta energy: -45.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -532.822153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.822153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.822153 (E_RNA)
where:
Base-Base interactions energy: -370.686
where: short stacking energy: -152.719
Base-Backbone interact. energy: -0.449
local terms energy: -161.686857
where:
bonds (distance) C4'-P energy: -28.128
bonds (distance) P-C4' energy: -36.580
flat angles C4'-P-C4' energy: -29.522
flat angles P-C4'-P energy: -21.077
tors. eta vs tors. theta energy: -46.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -445.369995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.369995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.369995 (E_RNA)
where:
Base-Base interactions energy: -298.145
where: short stacking energy: -133.570
Base-Backbone interact. energy: -1.455
local terms energy: -145.770835
where:
bonds (distance) C4'-P energy: -24.846
bonds (distance) P-C4' energy: -29.544
flat angles C4'-P-C4' energy: -31.911
flat angles P-C4'-P energy: -25.285
tors. eta vs tors. theta energy: -34.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -443.035542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.035542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.035542 (E_RNA)
where:
Base-Base interactions energy: -301.890
where: short stacking energy: -149.254
Base-Backbone interact. energy: -0.205
local terms energy: -140.940463
where:
bonds (distance) C4'-P energy: -20.443
bonds (distance) P-C4' energy: -30.403
flat angles C4'-P-C4' energy: -30.908
flat angles P-C4'-P energy: -22.938
tors. eta vs tors. theta energy: -36.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -400.707186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.707186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.707186 (E_RNA)
where:
Base-Base interactions energy: -252.514
where: short stacking energy: -101.413
Base-Backbone interact. energy: -0.227
local terms energy: -147.966355
where:
bonds (distance) C4'-P energy: -31.722
bonds (distance) P-C4' energy: -37.360
flat angles C4'-P-C4' energy: -34.501
flat angles P-C4'-P energy: -19.589
tors. eta vs tors. theta energy: -24.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -306.297858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.297858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.297858 (E_RNA)
where:
Base-Base interactions energy: -199.178
where: short stacking energy: -100.463
Base-Backbone interact. energy: 3.118
local terms energy: -110.237051
where:
bonds (distance) C4'-P energy: -28.089
bonds (distance) P-C4' energy: -26.016
flat angles C4'-P-C4' energy: -25.048
flat angles P-C4'-P energy: -15.040
tors. eta vs tors. theta energy: -16.044
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: 2
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -602.896344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.896344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.896344 (E_RNA)
where:
Base-Base interactions energy: -427.719
where: short stacking energy: -172.547
Base-Backbone interact. energy: -0.987
local terms energy: -174.189893
where:
bonds (distance) C4'-P energy: -36.662
bonds (distance) P-C4' energy: -26.301
flat angles C4'-P-C4' energy: -38.971
flat angles P-C4'-P energy: -27.557
tors. eta vs tors. theta energy: -44.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -587.178401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.178401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.178401 (E_RNA)
where:
Base-Base interactions energy: -407.774
where: short stacking energy: -178.307
Base-Backbone interact. energy: -0.780
local terms energy: -178.624262
where:
bonds (distance) C4'-P energy: -31.633
bonds (distance) P-C4' energy: -28.907
flat angles C4'-P-C4' energy: -39.110
flat angles P-C4'-P energy: -26.787
tors. eta vs tors. theta energy: -52.187
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: 3, replica: 5
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -567.026868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.026868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.026868 (E_RNA)
where:
Base-Base interactions energy: -399.441
where: short stacking energy: -177.262
Base-Backbone interact. energy: -0.767
local terms energy: -166.818198
where:
bonds (distance) C4'-P energy: -25.167
bonds (distance) P-C4' energy: -36.228
flat angles C4'-P-C4' energy: -37.523
flat angles P-C4'-P energy: -17.282
tors. eta vs tors. theta energy: -50.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -517.238378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.238378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.238378 (E_RNA)
where:
Base-Base interactions energy: -353.754
where: short stacking energy: -175.320
Base-Backbone interact. energy: -1.165
local terms energy: -162.319324
where:
bonds (distance) C4'-P energy: -27.270
bonds (distance) P-C4' energy: -28.148
flat angles C4'-P-C4' energy: -35.729
flat angles P-C4'-P energy: -22.494
tors. eta vs tors. theta energy: -48.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -529.621317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.621317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.621317 (E_RNA)
where:
Base-Base interactions energy: -357.163
where: short stacking energy: -163.609
Base-Backbone interact. energy: -0.698
local terms energy: -171.760089
where:
bonds (distance) C4'-P energy: -31.225
bonds (distance) P-C4' energy: -23.742
flat angles C4'-P-C4' energy: -33.256
flat angles P-C4'-P energy: -29.067
tors. eta vs tors. theta energy: -54.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -523.986233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.986233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.986233 (E_RNA)
where:
Base-Base interactions energy: -370.922
where: short stacking energy: -154.595
Base-Backbone interact. energy: -0.570
local terms energy: -152.493645
where:
bonds (distance) C4'-P energy: -35.174
bonds (distance) P-C4' energy: -22.279
flat angles C4'-P-C4' energy: -30.690
flat angles P-C4'-P energy: -19.210
tors. eta vs tors. theta energy: -45.141
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: 3
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -435.505957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.505957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.505957 (E_RNA)
where:
Base-Base interactions energy: -306.861
where: short stacking energy: -130.801
Base-Backbone interact. energy: 0.079
local terms energy: -128.724288
where:
bonds (distance) C4'-P energy: -26.641
bonds (distance) P-C4' energy: -27.072
flat angles C4'-P-C4' energy: -29.185
flat angles P-C4'-P energy: -19.318
tors. eta vs tors. theta energy: -26.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -466.621896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.621896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.621896 (E_RNA)
where:
Base-Base interactions energy: -320.863
where: short stacking energy: -142.432
Base-Backbone interact. energy: 1.650
local terms energy: -147.408663
where:
bonds (distance) C4'-P energy: -20.995
bonds (distance) P-C4' energy: -31.502
flat angles C4'-P-C4' energy: -35.908
flat angles P-C4'-P energy: -18.593
tors. eta vs tors. theta energy: -40.411
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: 10
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -428.313712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.313712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.313712 (E_RNA)
where:
Base-Base interactions energy: -297.945
where: short stacking energy: -127.698
Base-Backbone interact. energy: 1.358
local terms energy: -131.726735
where:
bonds (distance) C4'-P energy: -23.757
bonds (distance) P-C4' energy: -26.027
flat angles C4'-P-C4' energy: -26.043
flat angles P-C4'-P energy: -20.901
tors. eta vs tors. theta energy: -34.999
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: 1
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -296.368315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.368315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.368315 (E_RNA)
where:
Base-Base interactions energy: -181.120
where: short stacking energy: -87.229
Base-Backbone interact. energy: -0.057
local terms energy: -115.191668
where:
bonds (distance) C4'-P energy: -21.608
bonds (distance) P-C4' energy: -33.450
flat angles C4'-P-C4' energy: -24.156
flat angles P-C4'-P energy: -19.598
tors. eta vs tors. theta energy: -16.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -584.759050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.759050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.759050 (E_RNA)
where:
Base-Base interactions energy: -402.123
where: short stacking energy: -178.565
Base-Backbone interact. energy: -0.019
local terms energy: -182.617405
where:
bonds (distance) C4'-P energy: -30.148
bonds (distance) P-C4' energy: -31.358
flat angles C4'-P-C4' energy: -36.738
flat angles P-C4'-P energy: -31.368
tors. eta vs tors. theta energy: -53.005
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: 2
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -590.644521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.644521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.644521 (E_RNA)
where:
Base-Base interactions energy: -411.504
where: short stacking energy: -173.750
Base-Backbone interact. energy: -0.640
local terms energy: -178.500738
where:
bonds (distance) C4'-P energy: -32.002
bonds (distance) P-C4' energy: -37.195
flat angles C4'-P-C4' energy: -34.549
flat angles P-C4'-P energy: -25.889
tors. eta vs tors. theta energy: -48.866
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: 5
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -568.279688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.279688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.279688 (E_RNA)
where:
Base-Base interactions energy: -389.563
where: short stacking energy: -165.327
Base-Backbone interact. energy: -0.946
local terms energy: -177.770561
where:
bonds (distance) C4'-P energy: -32.893
bonds (distance) P-C4' energy: -36.025
flat angles C4'-P-C4' energy: -33.516
flat angles P-C4'-P energy: -25.543
tors. eta vs tors. theta energy: -49.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -550.257925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.257925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.257925 (E_RNA)
where:
Base-Base interactions energy: -376.108
where: short stacking energy: -159.095
Base-Backbone interact. energy: -1.332
local terms energy: -172.817649
where:
bonds (distance) C4'-P energy: -29.740
bonds (distance) P-C4' energy: -29.082
flat angles C4'-P-C4' energy: -35.021
flat angles P-C4'-P energy: -28.037
tors. eta vs tors. theta energy: -50.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -524.042488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.042488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.042488 (E_RNA)
where:
Base-Base interactions energy: -374.182
where: short stacking energy: -167.906
Base-Backbone interact. energy: -0.626
local terms energy: -149.234501
where:
bonds (distance) C4'-P energy: -24.781
bonds (distance) P-C4' energy: -23.184
flat angles C4'-P-C4' energy: -32.569
flat angles P-C4'-P energy: -23.064
tors. eta vs tors. theta energy: -45.637
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: 9
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -524.572864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.572864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.572864 (E_RNA)
where:
Base-Base interactions energy: -375.241
where: short stacking energy: -157.902
Base-Backbone interact. energy: -0.147
local terms energy: -149.184855
where:
bonds (distance) C4'-P energy: -31.848
bonds (distance) P-C4' energy: -25.862
flat angles C4'-P-C4' energy: -29.476
flat angles P-C4'-P energy: -20.180
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: 7, replica: 4
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -467.387205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.387205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.387205 (E_RNA)
where:
Base-Base interactions energy: -316.963
where: short stacking energy: -145.000
Base-Backbone interact. energy: -0.655
local terms energy: -149.769084
where:
bonds (distance) C4'-P energy: -27.526
bonds (distance) P-C4' energy: -28.120
flat angles C4'-P-C4' energy: -32.839
flat angles P-C4'-P energy: -20.843
tors. eta vs tors. theta energy: -40.442
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: 3
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -433.598861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.598861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.598861 (E_RNA)
where:
Base-Base interactions energy: -293.094
where: short stacking energy: -126.423
Base-Backbone interact. energy: -0.392
local terms energy: -140.112693
where:
bonds (distance) C4'-P energy: -31.533
bonds (distance) P-C4' energy: -28.989
flat angles C4'-P-C4' energy: -29.720
flat angles P-C4'-P energy: -21.468
tors. eta vs tors. theta energy: -28.403
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: 9, replica: 10
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -406.581002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.581002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.581002 (E_RNA)
where:
Base-Base interactions energy: -289.840
where: short stacking energy: -123.081
Base-Backbone interact. energy: -0.392
local terms energy: -116.348199
where:
bonds (distance) C4'-P energy: -19.364
bonds (distance) P-C4' energy: -27.417
flat angles C4'-P-C4' energy: -27.640
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -29.866
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: 1
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -296.398545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.398545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.398545 (E_RNA)
where:
Base-Base interactions energy: -187.924
where: short stacking energy: -77.167
Base-Backbone interact. energy: -0.400
local terms energy: -108.074347
where:
bonds (distance) C4'-P energy: -30.513
bonds (distance) P-C4' energy: -36.418
flat angles C4'-P-C4' energy: -22.643
flat angles P-C4'-P energy: -12.427
tors. eta vs tors. theta energy: -6.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -587.857856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.857856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.857856 (E_RNA)
where:
Base-Base interactions energy: -409.610
where: short stacking energy: -181.238
Base-Backbone interact. energy: -0.701
local terms energy: -177.546523
where:
bonds (distance) C4'-P energy: -33.207
bonds (distance) P-C4' energy: -35.428
flat angles C4'-P-C4' energy: -34.484
flat angles P-C4'-P energy: -23.041
tors. eta vs tors. theta energy: -51.387
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: 403
Temperature: 0.950000
Total energy: -604.187850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.187850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.187850 (E_RNA)
where:
Base-Base interactions energy: -431.491
where: short stacking energy: -178.692
Base-Backbone interact. energy: -0.587
local terms energy: -172.109644
where:
bonds (distance) C4'-P energy: -30.205
bonds (distance) P-C4' energy: -30.274
flat angles C4'-P-C4' energy: -37.794
flat angles P-C4'-P energy: -24.822
tors. eta vs tors. theta energy: -49.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -570.623500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.623500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.623500 (E_RNA)
where:
Base-Base interactions energy: -382.451
where: short stacking energy: -173.180
Base-Backbone interact. energy: -1.753
local terms energy: -186.419189
where:
bonds (distance) C4'-P energy: -32.051
bonds (distance) P-C4' energy: -36.177
flat angles C4'-P-C4' energy: -36.745
flat angles P-C4'-P energy: -28.396
tors. eta vs tors. theta energy: -53.051
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: 6
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -544.508021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.508021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.508021 (E_RNA)
where:
Base-Base interactions energy: -370.790
where: short stacking energy: -167.895
Base-Backbone interact. energy: -0.556
local terms energy: -173.161626
where:
bonds (distance) C4'-P energy: -29.602
bonds (distance) P-C4' energy: -34.576
flat angles C4'-P-C4' energy: -34.234
flat angles P-C4'-P energy: -22.519
tors. eta vs tors. theta energy: -52.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -514.414862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.414862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.414862 (E_RNA)
where:
Base-Base interactions energy: -359.330
where: short stacking energy: -157.391
Base-Backbone interact. energy: -0.415
local terms energy: -154.670519
where:
bonds (distance) C4'-P energy: -24.150
bonds (distance) P-C4' energy: -34.160
flat angles C4'-P-C4' energy: -28.669
flat angles P-C4'-P energy: -21.458
tors. eta vs tors. theta energy: -46.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -464.240944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.240944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.240944 (E_RNA)
where:
Base-Base interactions energy: -323.409
where: short stacking energy: -145.800
Base-Backbone interact. energy: -0.887
local terms energy: -139.944844
where:
bonds (distance) C4'-P energy: -34.568
bonds (distance) P-C4' energy: -24.619
flat angles C4'-P-C4' energy: -28.461
flat angles P-C4'-P energy: -16.627
tors. eta vs tors. theta energy: -35.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -508.918601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.918601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.918601 (E_RNA)
where:
Base-Base interactions energy: -357.757
where: short stacking energy: -162.310
Base-Backbone interact. energy: -0.086
local terms energy: -151.076330
where:
bonds (distance) C4'-P energy: -30.029
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -31.851
flat angles P-C4'-P energy: -27.537
tors. eta vs tors. theta energy: -44.519
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: 8, replica: 3
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -436.475830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.475830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.475830 (E_RNA)
where:
Base-Base interactions energy: -296.293
where: short stacking energy: -130.795
Base-Backbone interact. energy: -0.250
local terms energy: -139.932723
where:
bonds (distance) C4'-P energy: -34.515
bonds (distance) P-C4' energy: -29.177
flat angles C4'-P-C4' energy: -28.768
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -34.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -381.445112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.445112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.445112 (E_RNA)
where:
Base-Base interactions energy: -259.950
where: short stacking energy: -119.981
Base-Backbone interact. energy: -1.629
local terms energy: -119.866570
where:
bonds (distance) C4'-P energy: -20.316
bonds (distance) P-C4' energy: -24.116
flat angles C4'-P-C4' energy: -31.676
flat angles P-C4'-P energy: -19.078
tors. eta vs tors. theta energy: -24.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -318.846908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.846908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.846908 (E_RNA)
where:
Base-Base interactions energy: -200.411
where: short stacking energy: -104.973
Base-Backbone interact. energy: -0.425
local terms energy: -118.011149
where:
bonds (distance) C4'-P energy: -24.803
bonds (distance) P-C4' energy: -28.921
flat angles C4'-P-C4' energy: -28.616
flat angles P-C4'-P energy: -13.696
tors. eta vs tors. theta energy: -21.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -595.828464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.828464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.828464 (E_RNA)
where:
Base-Base interactions energy: -428.730
where: short stacking energy: -170.433
Base-Backbone interact. energy: 0.255
local terms energy: -167.353174
where:
bonds (distance) C4'-P energy: -28.225
bonds (distance) P-C4' energy: -30.915
flat angles C4'-P-C4' energy: -35.646
flat angles P-C4'-P energy: -26.427
tors. eta vs tors. theta energy: -46.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -579.213382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.213382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.213382 (E_RNA)
where:
Base-Base interactions energy: -399.655
where: short stacking energy: -172.883
Base-Backbone interact. energy: -0.684
local terms energy: -178.874359
where:
bonds (distance) C4'-P energy: -32.951
bonds (distance) P-C4' energy: -26.370
flat angles C4'-P-C4' energy: -37.904
flat angles P-C4'-P energy: -29.149
tors. eta vs tors. theta energy: -52.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -564.427966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.427966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.427966 (E_RNA)
where:
Base-Base interactions energy: -393.672
where: short stacking energy: -179.399
Base-Backbone interact. energy: -3.017
local terms energy: -167.738748
where:
bonds (distance) C4'-P energy: -26.699
bonds (distance) P-C4' energy: -23.453
flat angles C4'-P-C4' energy: -37.466
flat angles P-C4'-P energy: -24.864
tors. eta vs tors. theta energy: -55.257
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: 4, replica: 6
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -531.056349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.056349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.056349 (E_RNA)
where:
Base-Base interactions energy: -364.880
where: short stacking energy: -168.611
Base-Backbone interact. energy: -0.624
local terms energy: -165.552825
where:
bonds (distance) C4'-P energy: -28.771
bonds (distance) P-C4' energy: -35.220
flat angles C4'-P-C4' energy: -30.631
flat angles P-C4'-P energy: -23.637
tors. eta vs tors. theta energy: -47.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -513.659773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.659773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.659773 (E_RNA)
where:
Base-Base interactions energy: -367.095
where: short stacking energy: -158.560
Base-Backbone interact. energy: 0.263
local terms energy: -146.828269
where:
bonds (distance) C4'-P energy: -29.009
bonds (distance) P-C4' energy: -25.801
flat angles C4'-P-C4' energy: -32.688
flat angles P-C4'-P energy: -19.042
tors. eta vs tors. theta energy: -40.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -466.552873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.552873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.552873 (E_RNA)
where:
Base-Base interactions energy: -323.896
where: short stacking energy: -130.797
Base-Backbone interact. energy: -1.322
local terms energy: -141.334594
where:
bonds (distance) C4'-P energy: -20.959
bonds (distance) P-C4' energy: -34.855
flat angles C4'-P-C4' energy: -31.729
flat angles P-C4'-P energy: -17.682
tors. eta vs tors. theta energy: -36.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -524.074884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.074884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.074884 (E_RNA)
where:
Base-Base interactions energy: -376.031
where: short stacking energy: -157.402
Base-Backbone interact. energy: 1.339
local terms energy: -149.382986
where:
bonds (distance) C4'-P energy: -25.018
bonds (distance) P-C4' energy: -27.231
flat angles C4'-P-C4' energy: -28.588
flat angles P-C4'-P energy: -25.471
tors. eta vs tors. theta energy: -43.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -432.304871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.304871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.304871 (E_RNA)
where:
Base-Base interactions energy: -301.960
where: short stacking energy: -131.250
Base-Backbone interact. energy: -0.231
local terms energy: -130.114083
where:
bonds (distance) C4'-P energy: -28.128
bonds (distance) P-C4' energy: -23.487
flat angles C4'-P-C4' energy: -28.753
flat angles P-C4'-P energy: -22.104
tors. eta vs tors. theta energy: -27.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -405.540574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.540574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.540574 (E_RNA)
where:
Base-Base interactions energy: -268.152
where: short stacking energy: -113.888
Base-Backbone interact. energy: 0.622
local terms energy: -138.010243
where:
bonds (distance) C4'-P energy: -29.853
bonds (distance) P-C4' energy: -36.613
flat angles C4'-P-C4' energy: -27.765
flat angles P-C4'-P energy: -21.741
tors. eta vs tors. theta energy: -22.038
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: 1
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -314.819801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.819801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.819801 (E_RNA)
where:
Base-Base interactions energy: -202.163
where: short stacking energy: -101.376
Base-Backbone interact. energy: -0.688
local terms energy: -111.968772
where:
bonds (distance) C4'-P energy: -24.041
bonds (distance) P-C4' energy: -28.333
flat angles C4'-P-C4' energy: -22.270
flat angles P-C4'-P energy: -19.179
tors. eta vs tors. theta energy: -18.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -592.732198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.732198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.732198 (E_RNA)
where:
Base-Base interactions energy: -414.818
where: short stacking energy: -172.267
Base-Backbone interact. energy: -0.030
local terms energy: -177.883843
where:
bonds (distance) C4'-P energy: -35.027
bonds (distance) P-C4' energy: -32.744
flat angles C4'-P-C4' energy: -35.682
flat angles P-C4'-P energy: -27.104
tors. eta vs tors. theta energy: -47.327
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: 8
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -555.777827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.777827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.777827 (E_RNA)
where:
Base-Base interactions energy: -382.798
where: short stacking energy: -167.208
Base-Backbone interact. energy: -0.096
local terms energy: -172.884111
where:
bonds (distance) C4'-P energy: -31.137
bonds (distance) P-C4' energy: -31.955
flat angles C4'-P-C4' energy: -37.281
flat angles P-C4'-P energy: -23.832
tors. eta vs tors. theta energy: -48.680
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: 5
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -561.014068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.014068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.014068 (E_RNA)
where:
Base-Base interactions energy: -395.145
where: short stacking energy: -177.399
Base-Backbone interact. energy: -1.623
local terms energy: -164.246169
where:
bonds (distance) C4'-P energy: -31.844
bonds (distance) P-C4' energy: -27.985
flat angles C4'-P-C4' energy: -32.626
flat angles P-C4'-P energy: -24.929
tors. eta vs tors. theta energy: -46.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -524.646496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.646496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.646496 (E_RNA)
where:
Base-Base interactions energy: -366.466
where: short stacking energy: -148.989
Base-Backbone interact. energy: -2.029
local terms energy: -156.151636
where:
bonds (distance) C4'-P energy: -30.206
bonds (distance) P-C4' energy: -35.185
flat angles C4'-P-C4' energy: -34.474
flat angles P-C4'-P energy: -23.106
tors. eta vs tors. theta energy: -33.180
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: 6
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -523.202903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.202903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.202903 (E_RNA)
where:
Base-Base interactions energy: -357.848
where: short stacking energy: -166.493
Base-Backbone interact. energy: -0.071
local terms energy: -165.283701
where:
bonds (distance) C4'-P energy: -25.971
bonds (distance) P-C4' energy: -33.449
flat angles C4'-P-C4' energy: -36.087
flat angles P-C4'-P energy: -23.213
tors. eta vs tors. theta energy: -46.564
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: 9
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -531.402754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.402754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.402754 (E_RNA)
where:
Base-Base interactions energy: -372.134
where: short stacking energy: -159.314
Base-Backbone interact. energy: -0.722
local terms energy: -158.547249
where:
bonds (distance) C4'-P energy: -28.844
bonds (distance) P-C4' energy: -29.269
flat angles C4'-P-C4' energy: -31.123
flat angles P-C4'-P energy: -24.594
tors. eta vs tors. theta energy: -44.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -462.331044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.331044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.331044 (E_RNA)
where:
Base-Base interactions energy: -321.462
where: short stacking energy: -137.370
Base-Backbone interact. energy: 0.605
local terms energy: -141.474321
where:
bonds (distance) C4'-P energy: -29.150
bonds (distance) P-C4' energy: -31.306
flat angles C4'-P-C4' energy: -28.441
flat angles P-C4'-P energy: -19.463
tors. eta vs tors. theta energy: -33.115
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: 10
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -400.240053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.240053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.240053 (E_RNA)
where:
Base-Base interactions energy: -278.440
where: short stacking energy: -113.815
Base-Backbone interact. energy: -0.101
local terms energy: -121.699691
where:
bonds (distance) C4'-P energy: -33.488
bonds (distance) P-C4' energy: -24.593
flat angles C4'-P-C4' energy: -22.961
flat angles P-C4'-P energy: -18.238
tors. eta vs tors. theta energy: -22.420
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: 3
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -430.319193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.319193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.319193 (E_RNA)
where:
Base-Base interactions energy: -307.160
where: short stacking energy: -131.900
Base-Backbone interact. energy: -0.182
local terms energy: -122.977403
where:
bonds (distance) C4'-P energy: -20.902
bonds (distance) P-C4' energy: -21.187
flat angles C4'-P-C4' energy: -31.487
flat angles P-C4'-P energy: -16.383
tors. eta vs tors. theta energy: -33.018
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: 1
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -279.723204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.723204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.723204 (E_RNA)
where:
Base-Base interactions energy: -168.124
where: short stacking energy: -84.463
Base-Backbone interact. energy: -0.450
local terms energy: -111.148467
where:
bonds (distance) C4'-P energy: -20.532
bonds (distance) P-C4' energy: -26.599
flat angles C4'-P-C4' energy: -27.078
flat angles P-C4'-P energy: -22.462
tors. eta vs tors. theta energy: -14.477
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: 1, replica: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -593.943484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.943484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.943484 (E_RNA)
where:
Base-Base interactions energy: -416.859
where: short stacking energy: -174.860
Base-Backbone interact. energy: -1.021
local terms energy: -176.063546
where:
bonds (distance) C4'-P energy: -32.759
bonds (distance) P-C4' energy: -33.038
flat angles C4'-P-C4' energy: -40.018
flat angles P-C4'-P energy: -28.227
tors. eta vs tors. theta energy: -42.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -566.344892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.344892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.344892 (E_RNA)
where:
Base-Base interactions energy: -394.684
where: short stacking energy: -164.856
Base-Backbone interact. energy: -0.146
local terms energy: -171.514203
where:
bonds (distance) C4'-P energy: -26.422
bonds (distance) P-C4' energy: -32.807
flat angles C4'-P-C4' energy: -34.901
flat angles P-C4'-P energy: -28.360
tors. eta vs tors. theta energy: -49.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -569.182829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.182829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.182829 (E_RNA)
where:
Base-Base interactions energy: -398.945
where: short stacking energy: -171.751
Base-Backbone interact. energy: -0.047
local terms energy: -170.190644
where:
bonds (distance) C4'-P energy: -30.703
bonds (distance) P-C4' energy: -31.949
flat angles C4'-P-C4' energy: -36.971
flat angles P-C4'-P energy: -21.338
tors. eta vs tors. theta energy: -49.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -542.537750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.537750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.537750 (E_RNA)
where:
Base-Base interactions energy: -378.997
where: short stacking energy: -153.384
Base-Backbone interact. energy: -1.271
local terms energy: -162.269192
where:
bonds (distance) C4'-P energy: -32.888
bonds (distance) P-C4' energy: -35.378
flat angles C4'-P-C4' energy: -30.121
flat angles P-C4'-P energy: -20.562
tors. eta vs tors. theta energy: -43.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -548.349999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.349999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.349999 (E_RNA)
where:
Base-Base interactions energy: -394.722
where: short stacking energy: -164.913
Base-Backbone interact. energy: -0.544
local terms energy: -153.084323
where:
bonds (distance) C4'-P energy: -31.962
bonds (distance) P-C4' energy: -29.325
flat angles C4'-P-C4' energy: -29.633
flat angles P-C4'-P energy: -20.166
tors. eta vs tors. theta energy: -41.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -517.244172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.244172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.244172 (E_RNA)
where:
Base-Base interactions energy: -359.673
where: short stacking energy: -166.383
Base-Backbone interact. energy: -0.793
local terms energy: -156.777821
where:
bonds (distance) C4'-P energy: -30.276
bonds (distance) P-C4' energy: -29.043
flat angles C4'-P-C4' energy: -30.171
flat angles P-C4'-P energy: -25.588
tors. eta vs tors. theta energy: -41.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -474.256180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.256180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.256180 (E_RNA)
where:
Base-Base interactions energy: -323.400
where: short stacking energy: -146.785
Base-Backbone interact. energy: -0.230
local terms energy: -150.625881
where:
bonds (distance) C4'-P energy: -27.091
bonds (distance) P-C4' energy: -35.280
flat angles C4'-P-C4' energy: -31.449
flat angles P-C4'-P energy: -19.745
tors. eta vs tors. theta energy: -37.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -406.030851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.030851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.030851 (E_RNA)
where:
Base-Base interactions energy: -276.706
where: short stacking energy: -120.877
Base-Backbone interact. energy: 0.328
local terms energy: -129.652779
where:
bonds (distance) C4'-P energy: -33.818
bonds (distance) P-C4' energy: -29.507
flat angles C4'-P-C4' energy: -25.745
flat angles P-C4'-P energy: -16.624
tors. eta vs tors. theta energy: -23.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -296.186729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.186729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.186729 (E_RNA)
where:
Base-Base interactions energy: -185.928
where: short stacking energy: -91.211
Base-Backbone interact. energy: 2.325
local terms energy: -112.582855
where:
bonds (distance) C4'-P energy: -29.346
bonds (distance) P-C4' energy: -27.392
flat angles C4'-P-C4' energy: -23.786
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -18.342
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: 10, replica: 3
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -421.684439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.684439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.684439 (E_RNA)
where:
Base-Base interactions energy: -295.701
where: short stacking energy: -128.903
Base-Backbone interact. energy: -0.257
local terms energy: -125.726811
where:
bonds (distance) C4'-P energy: -28.229
bonds (distance) P-C4' energy: -30.755
flat angles C4'-P-C4' energy: -26.459
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -30.129
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: 1, replica: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -597.045250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.045250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.045250 (E_RNA)
where:
Base-Base interactions energy: -427.894
where: short stacking energy: -181.448
Base-Backbone interact. energy: -0.243
local terms energy: -168.908555
where:
bonds (distance) C4'-P energy: -34.922
bonds (distance) P-C4' energy: -25.557
flat angles C4'-P-C4' energy: -38.744
flat angles P-C4'-P energy: -23.180
tors. eta vs tors. theta energy: -46.505
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: 2, replica: 5
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -569.750812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.750812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.750812 (E_RNA)
where:
Base-Base interactions energy: -401.550
where: short stacking energy: -176.808
Base-Backbone interact. energy: -0.092
local terms energy: -168.108394
where:
bonds (distance) C4'-P energy: -28.017
bonds (distance) P-C4' energy: -28.766
flat angles C4'-P-C4' energy: -33.400
flat angles P-C4'-P energy: -26.013
tors. eta vs tors. theta energy: -51.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -553.059940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.059940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.059940 (E_RNA)
where:
Base-Base interactions energy: -391.210
where: short stacking energy: -167.840
Base-Backbone interact. energy: -0.105
local terms energy: -161.745405
where:
bonds (distance) C4'-P energy: -26.834
bonds (distance) P-C4' energy: -31.458
flat angles C4'-P-C4' energy: -33.018
flat angles P-C4'-P energy: -25.587
tors. eta vs tors. theta energy: -44.849
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: 9
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -558.500952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.500952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.500952 (E_RNA)
where:
Base-Base interactions energy: -393.346
where: short stacking energy: -169.184
Base-Backbone interact. energy: -1.470
local terms energy: -163.685327
where:
bonds (distance) C4'-P energy: -32.521
bonds (distance) P-C4' energy: -26.155
flat angles C4'-P-C4' energy: -31.955
flat angles P-C4'-P energy: -26.223
tors. eta vs tors. theta energy: -46.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -530.279233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.279233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.279233 (E_RNA)
where:
Base-Base interactions energy: -366.024
where: short stacking energy: -144.510
Base-Backbone interact. energy: -0.332
local terms energy: -163.922850
where:
bonds (distance) C4'-P energy: -35.417
bonds (distance) P-C4' energy: -29.056
flat angles C4'-P-C4' energy: -33.293
flat angles P-C4'-P energy: -25.792
tors. eta vs tors. theta energy: -40.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -510.521174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.521174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.521174 (E_RNA)
where:
Base-Base interactions energy: -349.518
where: short stacking energy: -158.088
Base-Backbone interact. energy: -0.497
local terms energy: -160.506034
where:
bonds (distance) C4'-P energy: -31.610
bonds (distance) P-C4' energy: -25.830
flat angles C4'-P-C4' energy: -34.053
flat angles P-C4'-P energy: -23.430
tors. eta vs tors. theta energy: -45.583
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: 4
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -435.950478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.950478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.950478 (E_RNA)
where:
Base-Base interactions energy: -297.928
where: short stacking energy: -136.975
Base-Backbone interact. energy: -0.688
local terms energy: -137.334061
where:
bonds (distance) C4'-P energy: -21.900
bonds (distance) P-C4' energy: -26.020
flat angles C4'-P-C4' energy: -34.119
flat angles P-C4'-P energy: -26.453
tors. eta vs tors. theta energy: -28.843
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: 1
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -321.317151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.317151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.317151 (E_RNA)
where:
Base-Base interactions energy: -192.793
where: short stacking energy: -114.761
Base-Backbone interact. energy: 0.251
local terms energy: -128.775854
where:
bonds (distance) C4'-P energy: -34.301
bonds (distance) P-C4' energy: -21.232
flat angles C4'-P-C4' energy: -35.477
flat angles P-C4'-P energy: -13.923
tors. eta vs tors. theta energy: -23.842
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: 10
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -371.613418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.613418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.613418 (E_RNA)
where:
Base-Base interactions energy: -244.067
where: short stacking energy: -106.452
Base-Backbone interact. energy: -0.819
local terms energy: -126.727186
where:
bonds (distance) C4'-P energy: -32.338
bonds (distance) P-C4' energy: -32.142
flat angles C4'-P-C4' energy: -28.220
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -21.714
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: 3
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -404.793235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.793235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.793235 (E_RNA)
where:
Base-Base interactions energy: -293.078
where: short stacking energy: -117.872
Base-Backbone interact. energy: -1.620
local terms energy: -110.094642
where:
bonds (distance) C4'-P energy: -24.421
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -25.033
flat angles P-C4'-P energy: -20.205
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: 5
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -583.771601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.771601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.771601 (E_RNA)
where:
Base-Base interactions energy: -405.275
where: short stacking energy: -180.315
Base-Backbone interact. energy: -1.903
local terms energy: -176.593549
where:
bonds (distance) C4'-P energy: -40.278
bonds (distance) P-C4' energy: -25.994
flat angles C4'-P-C4' energy: -34.967
flat angles P-C4'-P energy: -24.979
tors. eta vs tors. theta energy: -50.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -586.692755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.692755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.692755 (E_RNA)
where:
Base-Base interactions energy: -421.313
where: short stacking energy: -175.617
Base-Backbone interact. energy: -1.462
local terms energy: -163.918270
where:
bonds (distance) C4'-P energy: -29.929
bonds (distance) P-C4' energy: -30.277
flat angles C4'-P-C4' energy: -35.521
flat angles P-C4'-P energy: -24.045
tors. eta vs tors. theta energy: -44.146
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: 9
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -566.707636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.707636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.707636 (E_RNA)
where:
Base-Base interactions energy: -404.340
where: short stacking energy: -171.222
Base-Backbone interact. energy: -0.833
local terms energy: -161.534091
where:
bonds (distance) C4'-P energy: -34.272
bonds (distance) P-C4' energy: -25.919
flat angles C4'-P-C4' energy: -34.717
flat angles P-C4'-P energy: -18.205
tors. eta vs tors. theta energy: -48.422
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: 8
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -561.400407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.400407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.400407 (E_RNA)
where:
Base-Base interactions energy: -388.249
where: short stacking energy: -165.934
Base-Backbone interact. energy: -1.742
local terms energy: -171.409084
where:
bonds (distance) C4'-P energy: -28.197
bonds (distance) P-C4' energy: -31.976
flat angles C4'-P-C4' energy: -36.551
flat angles P-C4'-P energy: -24.905
tors. eta vs tors. theta energy: -49.781
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: 7
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -533.249996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.249996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.249996 (E_RNA)
where:
Base-Base interactions energy: -372.028
where: short stacking energy: -162.505
Base-Backbone interact. energy: -0.037
local terms energy: -161.184996
where:
bonds (distance) C4'-P energy: -31.623
bonds (distance) P-C4' energy: -27.138
flat angles C4'-P-C4' energy: -31.738
flat angles P-C4'-P energy: -27.556
tors. eta vs tors. theta energy: -43.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -517.342367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.342367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.342367 (E_RNA)
where:
Base-Base interactions energy: -358.410
where: short stacking energy: -165.542
Base-Backbone interact. energy: -1.523
local terms energy: -157.408858
where:
bonds (distance) C4'-P energy: -25.414
bonds (distance) P-C4' energy: -30.554
flat angles C4'-P-C4' energy: -36.321
flat angles P-C4'-P energy: -17.163
tors. eta vs tors. theta energy: -47.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -466.645151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.645151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.645151 (E_RNA)
where:
Base-Base interactions energy: -318.396
where: short stacking energy: -145.780
Base-Backbone interact. energy: -0.374
local terms energy: -147.874615
where:
bonds (distance) C4'-P energy: -32.371
bonds (distance) P-C4' energy: -26.063
flat angles C4'-P-C4' energy: -30.321
flat angles P-C4'-P energy: -22.394
tors. eta vs tors. theta energy: -36.726
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: 8, replica: 1
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -344.200492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.200492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.200492 (E_RNA)
where:
Base-Base interactions energy: -221.719
where: short stacking energy: -109.766
Base-Backbone interact. energy: -0.336
local terms energy: -122.145638
where:
bonds (distance) C4'-P energy: -22.141
bonds (distance) P-C4' energy: -24.972
flat angles C4'-P-C4' energy: -31.797
flat angles P-C4'-P energy: -18.581
tors. eta vs tors. theta energy: -24.654
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: 3
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -408.001553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.001553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.001553 (E_RNA)
where:
Base-Base interactions energy: -276.614
where: short stacking energy: -127.998
Base-Backbone interact. energy: -0.783
local terms energy: -130.605087
where:
bonds (distance) C4'-P energy: -29.039
bonds (distance) P-C4' energy: -25.442
flat angles C4'-P-C4' energy: -32.054
flat angles P-C4'-P energy: -18.076
tors. eta vs tors. theta energy: -25.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -394.913335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.913335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.913335 (E_RNA)
where:
Base-Base interactions energy: -278.620
where: short stacking energy: -122.805
Base-Backbone interact. energy: -0.479
local terms energy: -115.814623
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -26.871
flat angles C4'-P-C4' energy: -29.330
flat angles P-C4'-P energy: -14.726
tors. eta vs tors. theta energy: -28.200
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: 1, replica: 5
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -590.803789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.803789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.803789 (E_RNA)
where:
Base-Base interactions energy: -414.393
where: short stacking energy: -175.681
Base-Backbone interact. energy: -0.168
local terms energy: -176.242871
where:
bonds (distance) C4'-P energy: -32.905
bonds (distance) P-C4' energy: -37.044
flat angles C4'-P-C4' energy: -33.504
flat angles P-C4'-P energy: -20.247
tors. eta vs tors. theta energy: -52.542
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: 9
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -590.617431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.617431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.617431 (E_RNA)
where:
Base-Base interactions energy: -422.559
where: short stacking energy: -173.433
Base-Backbone interact. energy: -0.524
local terms energy: -167.534964
where:
bonds (distance) C4'-P energy: -25.670
bonds (distance) P-C4' energy: -33.005
flat angles C4'-P-C4' energy: -38.463
flat angles P-C4'-P energy: -21.973
tors. eta vs tors. theta energy: -48.423
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: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -585.803186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.803186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.803186 (E_RNA)
where:
Base-Base interactions energy: -417.468
where: short stacking energy: -177.554
Base-Backbone interact. energy: -0.407
local terms energy: -167.928433
where:
bonds (distance) C4'-P energy: -30.361
bonds (distance) P-C4' energy: -36.660
flat angles C4'-P-C4' energy: -32.067
flat angles P-C4'-P energy: -23.992
tors. eta vs tors. theta energy: -44.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -528.237893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.237893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.237893 (E_RNA)
where:
Base-Base interactions energy: -367.428
where: short stacking energy: -157.413
Base-Backbone interact. energy: -0.504
local terms energy: -160.306602
where:
bonds (distance) C4'-P energy: -28.959
bonds (distance) P-C4' energy: -27.943
flat angles C4'-P-C4' energy: -35.175
flat angles P-C4'-P energy: -26.466
tors. eta vs tors. theta energy: -41.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -544.213158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.213158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.213158 (E_RNA)
where:
Base-Base interactions energy: -389.244
where: short stacking energy: -166.611
Base-Backbone interact. energy: 0.356
local terms energy: -155.325003
where:
bonds (distance) C4'-P energy: -26.671
bonds (distance) P-C4' energy: -26.863
flat angles C4'-P-C4' energy: -33.339
flat angles P-C4'-P energy: -22.518
tors. eta vs tors. theta energy: -45.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -513.231526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.231526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.231526 (E_RNA)
where:
Base-Base interactions energy: -350.275
where: short stacking energy: -156.312
Base-Backbone interact. energy: -0.296
local terms energy: -162.660195
where:
bonds (distance) C4'-P energy: -33.106
bonds (distance) P-C4' energy: -31.621
flat angles C4'-P-C4' energy: -34.951
flat angles P-C4'-P energy: -19.828
tors. eta vs tors. theta energy: -43.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -470.549472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.549472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.549472 (E_RNA)
where:
Base-Base interactions energy: -317.931
where: short stacking energy: -142.874
Base-Backbone interact. energy: 0.312
local terms energy: -152.930970
where:
bonds (distance) C4'-P energy: -24.466
bonds (distance) P-C4' energy: -33.256
flat angles C4'-P-C4' energy: -37.095
flat angles P-C4'-P energy: -22.772
tors. eta vs tors. theta energy: -35.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -359.812322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.812322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.812322 (E_RNA)
where:
Base-Base interactions energy: -236.571
where: short stacking energy: -113.388
Base-Backbone interact. energy: 0.854
local terms energy: -124.095385
where:
bonds (distance) C4'-P energy: -34.068
bonds (distance) P-C4' energy: -23.025
flat angles C4'-P-C4' energy: -25.339
flat angles P-C4'-P energy: -19.741
tors. eta vs tors. theta energy: -21.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -347.439524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.439524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.439524 (E_RNA)
where:
Base-Base interactions energy: -225.194
where: short stacking energy: -112.916
Base-Backbone interact. energy: -0.487
local terms energy: -121.758610
where:
bonds (distance) C4'-P energy: -24.061
bonds (distance) P-C4' energy: -22.877
flat angles C4'-P-C4' energy: -35.452
flat angles P-C4'-P energy: -20.345
tors. eta vs tors. theta energy: -19.023
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: 409
Temperature: 1.350000
Total energy: -353.360364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.360364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.360364 (E_RNA)
where:
Base-Base interactions energy: -237.931
where: short stacking energy: -111.039
Base-Backbone interact. energy: -1.541
local terms energy: -113.888398
where:
bonds (distance) C4'-P energy: -27.432
bonds (distance) P-C4' energy: -22.469
flat angles C4'-P-C4' energy: -27.242
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: -22.949
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: 9
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -591.084850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.084850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.084850 (E_RNA)
where:
Base-Base interactions energy: -417.920
where: short stacking energy: -167.141
Base-Backbone interact. energy: -0.910
local terms energy: -172.254724
where:
bonds (distance) C4'-P energy: -32.561
bonds (distance) P-C4' energy: -32.831
flat angles C4'-P-C4' energy: -31.406
flat angles P-C4'-P energy: -27.328
tors. eta vs tors. theta energy: -48.130
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: 410
Temperature: 0.950000
Total energy: -572.451225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.451225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.451225 (E_RNA)
where:
Base-Base interactions energy: -405.873
where: short stacking energy: -177.548
Base-Backbone interact. energy: -0.709
local terms energy: -165.869365
where:
bonds (distance) C4'-P energy: -26.915
bonds (distance) P-C4' energy: -36.216
flat angles C4'-P-C4' energy: -32.744
flat angles P-C4'-P energy: -21.524
tors. eta vs tors. theta energy: -48.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -577.900834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.900834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.900834 (E_RNA)
where:
Base-Base interactions energy: -410.916
where: short stacking energy: -162.501
Base-Backbone interact. energy: -0.464
local terms energy: -166.521026
where:
bonds (distance) C4'-P energy: -30.139
bonds (distance) P-C4' energy: -34.956
flat angles C4'-P-C4' energy: -37.084
flat angles P-C4'-P energy: -19.820
tors. eta vs tors. theta energy: -44.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -536.025128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.025128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.025128 (E_RNA)
where:
Base-Base interactions energy: -374.686
where: short stacking energy: -165.138
Base-Backbone interact. energy: -2.835
local terms energy: -158.503732
where:
bonds (distance) C4'-P energy: -26.446
bonds (distance) P-C4' energy: -27.022
flat angles C4'-P-C4' energy: -34.846
flat angles P-C4'-P energy: -25.055
tors. eta vs tors. theta energy: -45.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -537.384717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.384717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.384717 (E_RNA)
where:
Base-Base interactions energy: -383.725
where: short stacking energy: -155.280
Base-Backbone interact. energy: -0.201
local terms energy: -153.459519
where:
bonds (distance) C4'-P energy: -24.396
bonds (distance) P-C4' energy: -32.811
flat angles C4'-P-C4' energy: -31.253
flat angles P-C4'-P energy: -20.085
tors. eta vs tors. theta energy: -44.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -520.370338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.370338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.370338 (E_RNA)
where:
Base-Base interactions energy: -359.928
where: short stacking energy: -159.407
Base-Backbone interact. energy: -0.324
local terms energy: -160.118220
where:
bonds (distance) C4'-P energy: -21.743
bonds (distance) P-C4' energy: -38.163
flat angles C4'-P-C4' energy: -34.058
flat angles P-C4'-P energy: -21.606
tors. eta vs tors. theta energy: -44.547
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: 4
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -446.782680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.782680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.782680 (E_RNA)
where:
Base-Base interactions energy: -314.009
where: short stacking energy: -129.360
Base-Backbone interact. energy: 0.024
local terms energy: -132.798009
where:
bonds (distance) C4'-P energy: -22.214
bonds (distance) P-C4' energy: -18.786
flat angles C4'-P-C4' energy: -32.168
flat angles P-C4'-P energy: -27.200
tors. eta vs tors. theta energy: -32.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -389.283903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.283903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.283903 (E_RNA)
where:
Base-Base interactions energy: -264.256
where: short stacking energy: -114.478
Base-Backbone interact. energy: -0.300
local terms energy: -124.727913
where:
bonds (distance) C4'-P energy: -29.543
bonds (distance) P-C4' energy: -32.637
flat angles C4'-P-C4' energy: -27.902
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: -22.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -362.230448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.230448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.230448 (E_RNA)
where:
Base-Base interactions energy: -233.430
where: short stacking energy: -108.620
Base-Backbone interact. energy: -1.995
local terms energy: -126.806372
where:
bonds (distance) C4'-P energy: -28.464
bonds (distance) P-C4' energy: -27.665
flat angles C4'-P-C4' energy: -30.201
flat angles P-C4'-P energy: -22.971
tors. eta vs tors. theta energy: -17.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -383.493525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.493525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.493525 (E_RNA)
where:
Base-Base interactions energy: -264.203
where: short stacking energy: -116.327
Base-Backbone interact. energy: 1.408
local terms energy: -120.698660
where:
bonds (distance) C4'-P energy: -26.127
bonds (distance) P-C4' energy: -21.171
flat angles C4'-P-C4' energy: -26.693
flat angles P-C4'-P energy: -19.751
tors. eta vs tors. theta energy: -26.956
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: 9
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -592.482510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.482510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.482510 (E_RNA)
where:
Base-Base interactions energy: -424.904
where: short stacking energy: -173.727
Base-Backbone interact. energy: -0.472
local terms energy: -167.106548
where:
bonds (distance) C4'-P energy: -27.034
bonds (distance) P-C4' energy: -34.192
flat angles C4'-P-C4' energy: -32.748
flat angles P-C4'-P energy: -20.908
tors. eta vs tors. theta energy: -52.225
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: 2
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -584.501697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.501697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.501697 (E_RNA)
where:
Base-Base interactions energy: -411.003
where: short stacking energy: -171.094
Base-Backbone interact. energy: -1.260
local terms energy: -172.238283
where:
bonds (distance) C4'-P energy: -32.510
bonds (distance) P-C4' energy: -37.299
flat angles C4'-P-C4' energy: -34.183
flat angles P-C4'-P energy: -24.821
tors. eta vs tors. theta energy: -43.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -562.215643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.215643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.215643 (E_RNA)
where:
Base-Base interactions energy: -394.120
where: short stacking energy: -183.091
Base-Backbone interact. energy: -0.163
local terms energy: -167.932517
where:
bonds (distance) C4'-P energy: -32.946
bonds (distance) P-C4' energy: -30.401
flat angles C4'-P-C4' energy: -35.260
flat angles P-C4'-P energy: -20.515
tors. eta vs tors. theta energy: -48.811
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: 7
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -530.634038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.634038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.634038 (E_RNA)
where:
Base-Base interactions energy: -379.775
where: short stacking energy: -168.326
Base-Backbone interact. energy: -0.032
local terms energy: -150.826730
where:
bonds (distance) C4'-P energy: -29.227
bonds (distance) P-C4' energy: -18.338
flat angles C4'-P-C4' energy: -28.589
flat angles P-C4'-P energy: -29.186
tors. eta vs tors. theta energy: -45.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -539.064822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.064822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.064822 (E_RNA)
where:
Base-Base interactions energy: -375.295
where: short stacking energy: -156.038
Base-Backbone interact. energy: -1.208
local terms energy: -162.561568
where:
bonds (distance) C4'-P energy: -28.280
bonds (distance) P-C4' energy: -27.670
flat angles C4'-P-C4' energy: -34.542
flat angles P-C4'-P energy: -23.790
tors. eta vs tors. theta energy: -48.280
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: 6
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -531.714002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.714002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.714002 (E_RNA)
where:
Base-Base interactions energy: -363.416
where: short stacking energy: -158.232
Base-Backbone interact. energy: -0.638
local terms energy: -167.660003
where:
bonds (distance) C4'-P energy: -31.191
bonds (distance) P-C4' energy: -34.809
flat angles C4'-P-C4' energy: -32.012
flat angles P-C4'-P energy: -21.352
tors. eta vs tors. theta energy: -48.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -463.645219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.645219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.645219 (E_RNA)
where:
Base-Base interactions energy: -316.432
where: short stacking energy: -144.367
Base-Backbone interact. energy: -0.163
local terms energy: -147.050742
where:
bonds (distance) C4'-P energy: -31.539
bonds (distance) P-C4' energy: -21.629
flat angles C4'-P-C4' energy: -27.888
flat angles P-C4'-P energy: -23.531
tors. eta vs tors. theta energy: -42.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -391.221383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.221383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.221383 (E_RNA)
where:
Base-Base interactions energy: -257.113
where: short stacking energy: -110.369
Base-Backbone interact. energy: -0.139
local terms energy: -133.968807
where:
bonds (distance) C4'-P energy: -30.707
bonds (distance) P-C4' energy: -29.568
flat angles C4'-P-C4' energy: -26.409
flat angles P-C4'-P energy: -20.319
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: 9, replica: 10
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -390.517687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.517687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.517687 (E_RNA)
where:
Base-Base interactions energy: -265.622
where: short stacking energy: -117.205
Base-Backbone interact. energy: 2.247
local terms energy: -127.142983
where:
bonds (distance) C4'-P energy: -24.584
bonds (distance) P-C4' energy: -29.403
flat angles C4'-P-C4' energy: -27.428
flat angles P-C4'-P energy: -18.365
tors. eta vs tors. theta energy: -27.362
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: 3
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -311.537062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.537062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.537062 (E_RNA)
where:
Base-Base interactions energy: -194.383
where: short stacking energy: -86.749
Base-Backbone interact. energy: -0.336
local terms energy: -116.818667
where:
bonds (distance) C4'-P energy: -22.320
bonds (distance) P-C4' energy: -32.899
flat angles C4'-P-C4' energy: -22.259
flat angles P-C4'-P energy: -21.097
tors. eta vs tors. theta energy: -18.244
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: 9
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -594.324719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.324719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.324719 (E_RNA)
where:
Base-Base interactions energy: -418.615
where: short stacking energy: -170.565
Base-Backbone interact. energy: -0.424
local terms energy: -175.285896
where:
bonds (distance) C4'-P energy: -32.287
bonds (distance) P-C4' energy: -31.188
flat angles C4'-P-C4' energy: -37.060
flat angles P-C4'-P energy: -24.080
tors. eta vs tors. theta energy: -50.671
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: 2
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -598.152122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.152122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.152122 (E_RNA)
where:
Base-Base interactions energy: -426.838
where: short stacking energy: -165.879
Base-Backbone interact. energy: -0.658
local terms energy: -170.656146
where:
bonds (distance) C4'-P energy: -27.588
bonds (distance) P-C4' energy: -31.277
flat angles C4'-P-C4' energy: -37.494
flat angles P-C4'-P energy: -30.412
tors. eta vs tors. theta energy: -43.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -530.803090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.803090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.803090 (E_RNA)
where:
Base-Base interactions energy: -379.012
where: short stacking energy: -156.176
Base-Backbone interact. energy: -0.422
local terms energy: -151.368709
where:
bonds (distance) C4'-P energy: -25.917
bonds (distance) P-C4' energy: -29.912
flat angles C4'-P-C4' energy: -33.321
flat angles P-C4'-P energy: -22.602
tors. eta vs tors. theta energy: -39.616
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: 5
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -557.716925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.716925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.716925 (E_RNA)
where:
Base-Base interactions energy: -391.913
where: short stacking energy: -170.450
Base-Backbone interact. energy: -1.031
local terms energy: -164.772710
where:
bonds (distance) C4'-P energy: -36.412
bonds (distance) P-C4' energy: -25.977
flat angles C4'-P-C4' energy: -31.309
flat angles P-C4'-P energy: -24.072
tors. eta vs tors. theta energy: -47.004
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: 6
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -532.883335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.883335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.883335 (E_RNA)
where:
Base-Base interactions energy: -371.411
where: short stacking energy: -159.464
Base-Backbone interact. energy: -0.801
local terms energy: -160.671553
where:
bonds (distance) C4'-P energy: -31.901
bonds (distance) P-C4' energy: -23.606
flat angles C4'-P-C4' energy: -34.800
flat angles P-C4'-P energy: -23.094
tors. eta vs tors. theta energy: -47.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -530.694518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.694518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.694518 (E_RNA)
where:
Base-Base interactions energy: -369.224
where: short stacking energy: -157.022
Base-Backbone interact. energy: -0.125
local terms energy: -161.345254
where:
bonds (distance) C4'-P energy: -23.459
bonds (distance) P-C4' energy: -31.693
flat angles C4'-P-C4' energy: -32.862
flat angles P-C4'-P energy: -22.095
tors. eta vs tors. theta energy: -51.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -443.688874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.688874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.688874 (E_RNA)
where:
Base-Base interactions energy: -296.416
where: short stacking energy: -152.978
Base-Backbone interact. energy: -0.959
local terms energy: -146.313438
where:
bonds (distance) C4'-P energy: -25.406
bonds (distance) P-C4' energy: -20.587
flat angles C4'-P-C4' energy: -33.583
flat angles P-C4'-P energy: -23.390
tors. eta vs tors. theta energy: -43.349
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: 1
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -375.814473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.814473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.814473 (E_RNA)
where:
Base-Base interactions energy: -253.491
where: short stacking energy: -121.086
Base-Backbone interact. energy: -0.976
local terms energy: -121.347723
where:
bonds (distance) C4'-P energy: -26.728
bonds (distance) P-C4' energy: -27.481
flat angles C4'-P-C4' energy: -22.450
flat angles P-C4'-P energy: -18.365
tors. eta vs tors. theta energy: -26.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -355.467129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.467129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.467129 (E_RNA)
where:
Base-Base interactions energy: -233.130
where: short stacking energy: -110.603
Base-Backbone interact. energy: -0.418
local terms energy: -121.919141
where:
bonds (distance) C4'-P energy: -24.571
bonds (distance) P-C4' energy: -24.099
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -20.128
tors. eta vs tors. theta energy: -35.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -318.452028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.452028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.452028 (E_RNA)
where:
Base-Base interactions energy: -202.331
where: short stacking energy: -91.910
Base-Backbone interact. energy: -1.228
local terms energy: -114.893273
where:
bonds (distance) C4'-P energy: -27.624
bonds (distance) P-C4' energy: -27.887
flat angles C4'-P-C4' energy: -24.059
flat angles P-C4'-P energy: -15.890
tors. eta vs tors. theta energy: -19.434
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: 9
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -587.985298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.985298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.985298 (E_RNA)
where:
Base-Base interactions energy: -413.380
where: short stacking energy: -169.170
Base-Backbone interact. energy: -0.350
local terms energy: -174.254788
where:
bonds (distance) C4'-P energy: -33.635
bonds (distance) P-C4' energy: -32.549
flat angles C4'-P-C4' energy: -36.674
flat angles P-C4'-P energy: -24.673
tors. eta vs tors. theta energy: -46.724
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: 2, replica: 2
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -585.504350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.504350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.504350 (E_RNA)
where:
Base-Base interactions energy: -416.613
where: short stacking energy: -166.317
Base-Backbone interact. energy: -0.882
local terms energy: -168.008776
where:
bonds (distance) C4'-P energy: -33.600
bonds (distance) P-C4' energy: -30.821
flat angles C4'-P-C4' energy: -38.494
flat angles P-C4'-P energy: -22.233
tors. eta vs tors. theta energy: -42.861
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: 3, replica: 7
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -534.102271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.102271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.102271 (E_RNA)
where:
Base-Base interactions energy: -378.522
where: short stacking energy: -160.129
Base-Backbone interact. energy: -0.800
local terms energy: -154.780134
where:
bonds (distance) C4'-P energy: -27.568
bonds (distance) P-C4' energy: -31.051
flat angles C4'-P-C4' energy: -33.410
flat angles P-C4'-P energy: -25.830
tors. eta vs tors. theta energy: -36.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -531.535385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.535385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.535385 (E_RNA)
where:
Base-Base interactions energy: -364.458
where: short stacking energy: -157.651
Base-Backbone interact. energy: 0.063
local terms energy: -167.140924
where:
bonds (distance) C4'-P energy: -30.224
bonds (distance) P-C4' energy: -31.870
flat angles C4'-P-C4' energy: -38.828
flat angles P-C4'-P energy: -25.766
tors. eta vs tors. theta energy: -40.453
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: 5
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -544.161717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.161717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.161717 (E_RNA)
where:
Base-Base interactions energy: -373.680
where: short stacking energy: -170.747
Base-Backbone interact. energy: -0.196
local terms energy: -170.285673
where:
bonds (distance) C4'-P energy: -30.197
bonds (distance) P-C4' energy: -28.089
flat angles C4'-P-C4' energy: -37.846
flat angles P-C4'-P energy: -24.151
tors. eta vs tors. theta energy: -50.003
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: 8
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -530.940283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.940283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.940283 (E_RNA)
where:
Base-Base interactions energy: -371.708
where: short stacking energy: -149.598
Base-Backbone interact. energy: -0.487
local terms energy: -158.745268
where:
bonds (distance) C4'-P energy: -24.516
bonds (distance) P-C4' energy: -26.643
flat angles C4'-P-C4' energy: -38.889
flat angles P-C4'-P energy: -23.214
tors. eta vs tors. theta energy: -45.484
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: 4
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -462.028381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.028381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.028381 (E_RNA)
where:
Base-Base interactions energy: -313.594
where: short stacking energy: -142.719
Base-Backbone interact. energy: -1.714
local terms energy: -146.720377
where:
bonds (distance) C4'-P energy: -31.393
bonds (distance) P-C4' energy: -25.080
flat angles C4'-P-C4' energy: -32.012
flat angles P-C4'-P energy: -19.370
tors. eta vs tors. theta energy: -38.866
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: 1
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -392.042198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.042198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.042198 (E_RNA)
where:
Base-Base interactions energy: -267.441
where: short stacking energy: -129.042
Base-Backbone interact. energy: -2.040
local terms energy: -122.561384
where:
bonds (distance) C4'-P energy: -23.522
bonds (distance) P-C4' energy: -30.391
flat angles C4'-P-C4' energy: -22.416
flat angles P-C4'-P energy: -18.351
tors. eta vs tors. theta energy: -27.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -369.729592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.729592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.729592 (E_RNA)
where:
Base-Base interactions energy: -254.492
where: short stacking energy: -115.413
Base-Backbone interact. energy: -0.176
local terms energy: -115.061475
where:
bonds (distance) C4'-P energy: -29.577
bonds (distance) P-C4' energy: -24.203
flat angles C4'-P-C4' energy: -19.239
flat angles P-C4'-P energy: -20.121
tors. eta vs tors. theta energy: -21.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -331.777198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.777198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.777198 (E_RNA)
where:
Base-Base interactions energy: -214.448
where: short stacking energy: -99.926
Base-Backbone interact. energy: -0.996
local terms energy: -116.333703
where:
bonds (distance) C4'-P energy: -29.427
bonds (distance) P-C4' energy: -20.788
flat angles C4'-P-C4' energy: -27.972
flat angles P-C4'-P energy: -18.615
tors. eta vs tors. theta energy: -19.531
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: 2
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -595.404304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.404304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.404304 (E_RNA)
where:
Base-Base interactions energy: -416.860
where: short stacking energy: -172.066
Base-Backbone interact. energy: -1.617
local terms energy: -176.927514
where:
bonds (distance) C4'-P energy: -34.279
bonds (distance) P-C4' energy: -33.889
flat angles C4'-P-C4' energy: -36.470
flat angles P-C4'-P energy: -26.671
tors. eta vs tors. theta energy: -45.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -587.146593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.146593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.146593 (E_RNA)
where:
Base-Base interactions energy: -417.115
where: short stacking energy: -173.144
Base-Backbone interact. energy: -0.569
local terms energy: -169.462005
where:
bonds (distance) C4'-P energy: -35.865
bonds (distance) P-C4' energy: -33.040
flat angles C4'-P-C4' energy: -33.709
flat angles P-C4'-P energy: -16.876
tors. eta vs tors. theta energy: -49.973
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: 3, replica: 6
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -549.569075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.569075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.569075 (E_RNA)
where:
Base-Base interactions energy: -381.418
where: short stacking energy: -181.817
Base-Backbone interact. energy: 0.137
local terms energy: -168.287236
where:
bonds (distance) C4'-P energy: -25.049
bonds (distance) P-C4' energy: -34.394
flat angles C4'-P-C4' energy: -34.539
flat angles P-C4'-P energy: -24.536
tors. eta vs tors. theta energy: -49.769
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: 7
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -503.954254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.954254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.954254 (E_RNA)
where:
Base-Base interactions energy: -364.914
where: short stacking energy: -147.479
Base-Backbone interact. energy: -1.459
local terms energy: -137.580423
where:
bonds (distance) C4'-P energy: -26.108
bonds (distance) P-C4' energy: -27.216
flat angles C4'-P-C4' energy: -27.045
flat angles P-C4'-P energy: -24.057
tors. eta vs tors. theta energy: -33.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -537.045967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.045967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.045967 (E_RNA)
where:
Base-Base interactions energy: -381.494
where: short stacking energy: -165.676
Base-Backbone interact. energy: -0.441
local terms energy: -155.110380
where:
bonds (distance) C4'-P energy: -27.332
bonds (distance) P-C4' energy: -25.105
flat angles C4'-P-C4' energy: -35.764
flat angles P-C4'-P energy: -23.234
tors. eta vs tors. theta energy: -43.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -517.612058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.612058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.612058 (E_RNA)
where:
Base-Base interactions energy: -356.588
where: short stacking energy: -155.961
Base-Backbone interact. energy: -0.129
local terms energy: -160.895349
where:
bonds (distance) C4'-P energy: -31.956
bonds (distance) P-C4' energy: -30.526
flat angles C4'-P-C4' energy: -33.783
flat angles P-C4'-P energy: -21.787
tors. eta vs tors. theta energy: -42.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -472.657086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.657086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.657086 (E_RNA)
where:
Base-Base interactions energy: -322.461
where: short stacking energy: -154.484
Base-Backbone interact. energy: -0.124
local terms energy: -150.072004
where:
bonds (distance) C4'-P energy: -24.400
bonds (distance) P-C4' energy: -28.568
flat angles C4'-P-C4' energy: -34.560
flat angles P-C4'-P energy: -22.122
tors. eta vs tors. theta energy: -40.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -387.059562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.059562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.059562 (E_RNA)
where:
Base-Base interactions energy: -259.685
where: short stacking energy: -115.821
Base-Backbone interact. energy: -0.465
local terms energy: -126.909619
where:
bonds (distance) C4'-P energy: -22.098
bonds (distance) P-C4' energy: -27.265
flat angles C4'-P-C4' energy: -25.146
flat angles P-C4'-P energy: -27.999
tors. eta vs tors. theta energy: -24.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -369.113273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.113273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.113273 (E_RNA)
where:
Base-Base interactions energy: -247.087
where: short stacking energy: -117.586
Base-Backbone interact. energy: -0.455
local terms energy: -121.571333
where:
bonds (distance) C4'-P energy: -25.406
bonds (distance) P-C4' energy: -24.712
flat angles C4'-P-C4' energy: -26.718
flat angles P-C4'-P energy: -16.900
tors. eta vs tors. theta energy: -27.835
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: 10
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -386.270203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.270203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.270203 (E_RNA)
where:
Base-Base interactions energy: -263.482
where: short stacking energy: -104.631
Base-Backbone interact. energy: 1.815
local terms energy: -124.603260
where:
bonds (distance) C4'-P energy: -22.914
bonds (distance) P-C4' energy: -31.695
flat angles C4'-P-C4' energy: -24.945
flat angles P-C4'-P energy: -18.084
tors. eta vs tors. theta energy: -26.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -591.747781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.747781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.747781 (E_RNA)
where:
Base-Base interactions energy: -414.196
where: short stacking energy: -165.151
Base-Backbone interact. energy: -0.699
local terms energy: -176.852616
where:
bonds (distance) C4'-P energy: -33.547
bonds (distance) P-C4' energy: -32.893
flat angles C4'-P-C4' energy: -38.232
flat angles P-C4'-P energy: -28.163
tors. eta vs tors. theta energy: -44.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -553.764952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.764952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.764952 (E_RNA)
where:
Base-Base interactions energy: -377.496
where: short stacking energy: -171.887
Base-Backbone interact. energy: 1.199
local terms energy: -177.467516
where:
bonds (distance) C4'-P energy: -37.210
bonds (distance) P-C4' energy: -33.128
flat angles C4'-P-C4' energy: -37.881
flat angles P-C4'-P energy: -19.013
tors. eta vs tors. theta energy: -50.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -575.720553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.720553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.720553 (E_RNA)
where:
Base-Base interactions energy: -405.306
where: short stacking energy: -172.176
Base-Backbone interact. energy: -1.106
local terms energy: -169.307954
where:
bonds (distance) C4'-P energy: -28.521
bonds (distance) P-C4' energy: -34.936
flat angles C4'-P-C4' energy: -35.444
flat angles P-C4'-P energy: -22.222
tors. eta vs tors. theta energy: -48.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -558.791748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.791748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.791748 (E_RNA)
where:
Base-Base interactions energy: -393.217
where: short stacking energy: -169.782
Base-Backbone interact. energy: -2.415
local terms energy: -163.158841
where:
bonds (distance) C4'-P energy: -29.164
bonds (distance) P-C4' energy: -27.653
flat angles C4'-P-C4' energy: -32.590
flat angles P-C4'-P energy: -25.166
tors. eta vs tors. theta energy: -48.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -505.922595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.922595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.922595 (E_RNA)
where:
Base-Base interactions energy: -363.562
where: short stacking energy: -143.147
Base-Backbone interact. energy: -0.452
local terms energy: -141.908497
where:
bonds (distance) C4'-P energy: -36.030
bonds (distance) P-C4' energy: -27.065
flat angles C4'-P-C4' energy: -26.527
flat angles P-C4'-P energy: -24.926
tors. eta vs tors. theta energy: -27.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -474.053426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.053426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.053426 (E_RNA)
where:
Base-Base interactions energy: -312.958
where: short stacking energy: -151.733
Base-Backbone interact. energy: 1.086
local terms energy: -162.181005
where:
bonds (distance) C4'-P energy: -32.656
bonds (distance) P-C4' energy: -30.696
flat angles C4'-P-C4' energy: -37.268
flat angles P-C4'-P energy: -21.794
tors. eta vs tors. theta energy: -39.768
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: 5
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -516.041953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.041953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.041953 (E_RNA)
where:
Base-Base interactions energy: -363.752
where: short stacking energy: -155.479
Base-Backbone interact. energy: 1.340
local terms energy: -153.629955
where:
bonds (distance) C4'-P energy: -24.898
bonds (distance) P-C4' energy: -25.716
flat angles C4'-P-C4' energy: -33.054
flat angles P-C4'-P energy: -25.451
tors. eta vs tors. theta energy: -44.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -412.261473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.261473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.261473 (E_RNA)
where:
Base-Base interactions energy: -271.652
where: short stacking energy: -121.246
Base-Backbone interact. energy: -0.219
local terms energy: -140.390517
where:
bonds (distance) C4'-P energy: -28.090
bonds (distance) P-C4' energy: -27.108
flat angles C4'-P-C4' energy: -32.814
flat angles P-C4'-P energy: -19.009
tors. eta vs tors. theta energy: -33.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -396.492419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.492419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.492419 (E_RNA)
where:
Base-Base interactions energy: -277.243
where: short stacking energy: -122.995
Base-Backbone interact. energy: 2.255
local terms energy: -121.504233
where:
bonds (distance) C4'-P energy: -19.946
bonds (distance) P-C4' energy: -30.915
flat angles C4'-P-C4' energy: -29.751
flat angles P-C4'-P energy: -21.664
tors. eta vs tors. theta energy: -19.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -365.275580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.275580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.275580 (E_RNA)
where:
Base-Base interactions energy: -267.768
where: short stacking energy: -118.192
Base-Backbone interact. energy: -0.271
local terms energy: -97.236881
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -23.503
flat angles C4'-P-C4' energy: -26.622
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -20.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -596.935281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.935281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.935281 (E_RNA)
where:
Base-Base interactions energy: -434.156
where: short stacking energy: -175.131
Base-Backbone interact. energy: -0.384
local terms energy: -162.394776
where:
bonds (distance) C4'-P energy: -26.910
bonds (distance) P-C4' energy: -35.206
flat angles C4'-P-C4' energy: -32.751
flat angles P-C4'-P energy: -21.864
tors. eta vs tors. theta energy: -45.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -553.023232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.023232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.023232 (E_RNA)
where:
Base-Base interactions energy: -375.185
where: short stacking energy: -180.297
Base-Backbone interact. energy: -1.580
local terms energy: -176.259056
where:
bonds (distance) C4'-P energy: -30.529
bonds (distance) P-C4' energy: -30.926
flat angles C4'-P-C4' energy: -39.051
flat angles P-C4'-P energy: -24.174
tors. eta vs tors. theta energy: -51.578
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: 9
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -569.380227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.380227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.380227 (E_RNA)
where:
Base-Base interactions energy: -392.755
where: short stacking energy: -168.506
Base-Backbone interact. energy: -0.132
local terms energy: -176.493779
where:
bonds (distance) C4'-P energy: -29.957
bonds (distance) P-C4' energy: -35.558
flat angles C4'-P-C4' energy: -36.843
flat angles P-C4'-P energy: -27.655
tors. eta vs tors. theta energy: -46.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -571.295516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.295516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.295516 (E_RNA)
where:
Base-Base interactions energy: -397.453
where: short stacking energy: -178.247
Base-Backbone interact. energy: -0.517
local terms energy: -173.324661
where:
bonds (distance) C4'-P energy: -27.879
bonds (distance) P-C4' energy: -30.986
flat angles C4'-P-C4' energy: -37.604
flat angles P-C4'-P energy: -25.201
tors. eta vs tors. theta energy: -51.655
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: 5, replica: 4
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -494.239033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.239033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.239033 (E_RNA)
where:
Base-Base interactions energy: -341.535
where: short stacking energy: -154.147
Base-Backbone interact. energy: -0.469
local terms energy: -152.234544
where:
bonds (distance) C4'-P energy: -30.238
bonds (distance) P-C4' energy: -26.980
flat angles C4'-P-C4' energy: -33.462
flat angles P-C4'-P energy: -23.696
tors. eta vs tors. theta energy: -37.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -507.972669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.972669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.972669 (E_RNA)
where:
Base-Base interactions energy: -365.991
where: short stacking energy: -153.507
Base-Backbone interact. energy: -0.773
local terms energy: -141.208324
where:
bonds (distance) C4'-P energy: -28.459
bonds (distance) P-C4' energy: -21.544
flat angles C4'-P-C4' energy: -32.180
flat angles P-C4'-P energy: -20.636
tors. eta vs tors. theta energy: -38.389
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: 7, replica: 5
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -512.189431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.189431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.189431 (E_RNA)
where:
Base-Base interactions energy: -348.546
where: short stacking energy: -161.257
Base-Backbone interact. energy: -0.184
local terms energy: -163.459902
where:
bonds (distance) C4'-P energy: -26.426
bonds (distance) P-C4' energy: -33.276
flat angles C4'-P-C4' energy: -32.762
flat angles P-C4'-P energy: -24.755
tors. eta vs tors. theta energy: -46.242
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: 3
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -386.691270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.691270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.691270 (E_RNA)
where:
Base-Base interactions energy: -254.222
where: short stacking energy: -117.584
Base-Backbone interact. energy: -1.214
local terms energy: -131.254852
where:
bonds (distance) C4'-P energy: -22.426
bonds (distance) P-C4' energy: -22.937
flat angles C4'-P-C4' energy: -31.409
flat angles P-C4'-P energy: -23.374
tors. eta vs tors. theta energy: -31.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -329.288152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.288152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.288152 (E_RNA)
where:
Base-Base interactions energy: -209.689
where: short stacking energy: -95.310
Base-Backbone interact. energy: -1.270
local terms energy: -118.328780
where:
bonds (distance) C4'-P energy: -22.249
bonds (distance) P-C4' energy: -29.727
flat angles C4'-P-C4' energy: -32.340
flat angles P-C4'-P energy: -19.771
tors. eta vs tors. theta energy: -14.241
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: 1
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -356.508311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.508311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.508311 (E_RNA)
where:
Base-Base interactions energy: -238.289
where: short stacking energy: -110.363
Base-Backbone interact. energy: -0.885
local terms energy: -117.334394
where:
bonds (distance) C4'-P energy: -23.810
bonds (distance) P-C4' energy: -28.341
flat angles C4'-P-C4' energy: -20.931
flat angles P-C4'-P energy: -24.317
tors. eta vs tors. theta energy: -19.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -605.139189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.139189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.139189 (E_RNA)
where:
Base-Base interactions energy: -433.728
where: short stacking energy: -177.002
Base-Backbone interact. energy: 0.595
local terms energy: -172.006307
where:
bonds (distance) C4'-P energy: -32.552
bonds (distance) P-C4' energy: -25.994
flat angles C4'-P-C4' energy: -37.641
flat angles P-C4'-P energy: -27.877
tors. eta vs tors. theta energy: -47.942
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: 9
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -581.542465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.542465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.542465 (E_RNA)
where:
Base-Base interactions energy: -411.444
where: short stacking energy: -176.013
Base-Backbone interact. energy: 0.269
local terms energy: -170.366533
where:
bonds (distance) C4'-P energy: -34.404
bonds (distance) P-C4' energy: -26.092
flat angles C4'-P-C4' energy: -38.573
flat angles P-C4'-P energy: -24.669
tors. eta vs tors. theta energy: -46.629
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: 6
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -540.169373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.169373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.169373 (E_RNA)
where:
Base-Base interactions energy: -367.120
where: short stacking energy: -165.343
Base-Backbone interact. energy: -1.073
local terms energy: -171.976847
where:
bonds (distance) C4'-P energy: -28.036
bonds (distance) P-C4' energy: -39.516
flat angles C4'-P-C4' energy: -33.891
flat angles P-C4'-P energy: -24.404
tors. eta vs tors. theta energy: -46.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -551.405463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.405463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.405463 (E_RNA)
where:
Base-Base interactions energy: -386.236
where: short stacking energy: -170.516
Base-Backbone interact. energy: 0.719
local terms energy: -165.888480
where:
bonds (distance) C4'-P energy: -32.219
bonds (distance) P-C4' energy: -35.058
flat angles C4'-P-C4' energy: -32.916
flat angles P-C4'-P energy: -19.134
tors. eta vs tors. theta energy: -46.562
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: 4
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -493.020205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.020205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.020205 (E_RNA)
where:
Base-Base interactions energy: -339.841
where: short stacking energy: -154.334
Base-Backbone interact. energy: -0.197
local terms energy: -152.982263
where:
bonds (distance) C4'-P energy: -28.208
bonds (distance) P-C4' energy: -34.315
flat angles C4'-P-C4' energy: -36.258
flat angles P-C4'-P energy: -19.732
tors. eta vs tors. theta energy: -34.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -500.885716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.885716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.885716 (E_RNA)
where:
Base-Base interactions energy: -354.357
where: short stacking energy: -151.714
Base-Backbone interact. energy: 1.193
local terms energy: -147.722126
where:
bonds (distance) C4'-P energy: -30.690
bonds (distance) P-C4' energy: -19.988
flat angles C4'-P-C4' energy: -33.293
flat angles P-C4'-P energy: -24.952
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: 7, replica: 5
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -504.057888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.057888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.057888 (E_RNA)
where:
Base-Base interactions energy: -365.293
where: short stacking energy: -160.932
Base-Backbone interact. energy: 2.523
local terms energy: -141.288184
where:
bonds (distance) C4'-P energy: -22.017
bonds (distance) P-C4' energy: -26.778
flat angles C4'-P-C4' energy: -27.122
flat angles P-C4'-P energy: -20.746
tors. eta vs tors. theta energy: -44.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -384.624640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.624640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.624640 (E_RNA)
where:
Base-Base interactions energy: -252.595
where: short stacking energy: -126.727
Base-Backbone interact. energy: -0.454
local terms energy: -131.575984
where:
bonds (distance) C4'-P energy: -25.636
bonds (distance) P-C4' energy: -30.983
flat angles C4'-P-C4' energy: -33.322
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -31.605
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: 9, replica: 10
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -368.107218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.107218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.107218 (E_RNA)
where:
Base-Base interactions energy: -250.810
where: short stacking energy: -93.014
Base-Backbone interact. energy: -0.583
local terms energy: -116.714395
where:
bonds (distance) C4'-P energy: -22.258
bonds (distance) P-C4' energy: -31.975
flat angles C4'-P-C4' energy: -28.349
flat angles P-C4'-P energy: -21.276
tors. eta vs tors. theta energy: -12.856
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: 1
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -361.695254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.695254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.695254 (E_RNA)
where:
Base-Base interactions energy: -238.881
where: short stacking energy: -120.832
Base-Backbone interact. energy: -0.797
local terms energy: -122.017665
where:
bonds (distance) C4'-P energy: -29.685
bonds (distance) P-C4' energy: -23.496
flat angles C4'-P-C4' energy: -23.327
flat angles P-C4'-P energy: -23.131
tors. eta vs tors. theta energy: -22.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -590.773573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.773573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.773573 (E_RNA)
where:
Base-Base interactions energy: -412.376
where: short stacking energy: -180.653
Base-Backbone interact. energy: 0.082
local terms energy: -178.479255
where:
bonds (distance) C4'-P energy: -29.969
bonds (distance) P-C4' energy: -35.250
flat angles C4'-P-C4' energy: -36.044
flat angles P-C4'-P energy: -24.625
tors. eta vs tors. theta energy: -52.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -588.253316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.253316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.253316 (E_RNA)
where:
Base-Base interactions energy: -421.557
where: short stacking energy: -175.647
Base-Backbone interact. energy: -0.452
local terms energy: -166.244696
where:
bonds (distance) C4'-P energy: -34.212
bonds (distance) P-C4' energy: -28.706
flat angles C4'-P-C4' energy: -36.860
flat angles P-C4'-P energy: -20.479
tors. eta vs tors. theta energy: -45.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -551.556390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.556390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.556390 (E_RNA)
where:
Base-Base interactions energy: -394.248
where: short stacking energy: -173.585
Base-Backbone interact. energy: -1.361
local terms energy: -155.946914
where:
bonds (distance) C4'-P energy: -25.871
bonds (distance) P-C4' energy: -29.160
flat angles C4'-P-C4' energy: -34.174
flat angles P-C4'-P energy: -17.860
tors. eta vs tors. theta energy: -48.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -535.796445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.796445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.796445 (E_RNA)
where:
Base-Base interactions energy: -377.035
where: short stacking energy: -173.696
Base-Backbone interact. energy: -0.031
local terms energy: -158.730506
where:
bonds (distance) C4'-P energy: -25.295
bonds (distance) P-C4' energy: -24.449
flat angles C4'-P-C4' energy: -36.016
flat angles P-C4'-P energy: -26.562
tors. eta vs tors. theta energy: -46.407
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: 418
Temperature: 1.100000
Total energy: -517.415860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.415860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.415860 (E_RNA)
where:
Base-Base interactions energy: -364.043
where: short stacking energy: -158.281
Base-Backbone interact. energy: -0.383
local terms energy: -152.989786
where:
bonds (distance) C4'-P energy: -28.406
bonds (distance) P-C4' energy: -23.819
flat angles C4'-P-C4' energy: -36.225
flat angles P-C4'-P energy: -23.492
tors. eta vs tors. theta energy: -41.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -508.437422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.437422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.437422 (E_RNA)
where:
Base-Base interactions energy: -353.869
where: short stacking energy: -152.824
Base-Backbone interact. energy: 1.621
local terms energy: -156.189071
where:
bonds (distance) C4'-P energy: -23.779
bonds (distance) P-C4' energy: -30.207
flat angles C4'-P-C4' energy: -33.767
flat angles P-C4'-P energy: -30.968
tors. eta vs tors. theta energy: -37.469
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: 5
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -526.087677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.087677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.087677 (E_RNA)
where:
Base-Base interactions energy: -368.320
where: short stacking energy: -162.121
Base-Backbone interact. energy: 3.004
local terms energy: -160.771280
where:
bonds (distance) C4'-P energy: -27.761
bonds (distance) P-C4' energy: -32.947
flat angles C4'-P-C4' energy: -30.886
flat angles P-C4'-P energy: -24.111
tors. eta vs tors. theta energy: -45.066
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: 3
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -381.325258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.325258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.325258 (E_RNA)
where:
Base-Base interactions energy: -243.340
where: short stacking energy: -122.029
Base-Backbone interact. energy: -1.036
local terms energy: -136.948851
where:
bonds (distance) C4'-P energy: -18.335
bonds (distance) P-C4' energy: -30.587
flat angles C4'-P-C4' energy: -33.662
flat angles P-C4'-P energy: -23.217
tors. eta vs tors. theta energy: -31.148
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: 9, replica: 1
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -364.880701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.880701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.880701 (E_RNA)
where:
Base-Base interactions energy: -231.229
where: short stacking energy: -103.868
Base-Backbone interact. energy: 1.250
local terms energy: -134.902196
where:
bonds (distance) C4'-P energy: -22.959
bonds (distance) P-C4' energy: -26.060
flat angles C4'-P-C4' energy: -37.444
flat angles P-C4'-P energy: -21.592
tors. eta vs tors. theta energy: -26.847
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: 418
Temperature: 1.350000
Total energy: -361.330822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.330822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.330822 (E_RNA)
where:
Base-Base interactions energy: -240.466
where: short stacking energy: -96.393
Base-Backbone interact. energy: -1.264
local terms energy: -119.601603
where:
bonds (distance) C4'-P energy: -33.149
bonds (distance) P-C4' energy: -23.912
flat angles C4'-P-C4' energy: -31.636
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -20.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -581.628403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.628403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.628403 (E_RNA)
where:
Base-Base interactions energy: -408.981
where: short stacking energy: -163.621
Base-Backbone interact. energy: -0.805
local terms energy: -171.842620
where:
bonds (distance) C4'-P energy: -31.563
bonds (distance) P-C4' energy: -34.005
flat angles C4'-P-C4' energy: -35.580
flat angles P-C4'-P energy: -18.621
tors. eta vs tors. theta energy: -52.073
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: 8
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -577.651427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.651427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.651427 (E_RNA)
where:
Base-Base interactions energy: -402.617
where: short stacking energy: -168.123
Base-Backbone interact. energy: -1.211
local terms energy: -173.823347
where:
bonds (distance) C4'-P energy: -34.629
bonds (distance) P-C4' energy: -33.023
flat angles C4'-P-C4' energy: -33.453
flat angles P-C4'-P energy: -22.960
tors. eta vs tors. theta energy: -49.759
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: 2
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -578.839733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.839733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.839733 (E_RNA)
where:
Base-Base interactions energy: -408.089
where: short stacking energy: -165.482
Base-Backbone interact. energy: -0.369
local terms energy: -170.381639
where:
bonds (distance) C4'-P energy: -32.938
bonds (distance) P-C4' energy: -33.931
flat angles C4'-P-C4' energy: -39.592
flat angles P-C4'-P energy: -20.522
tors. eta vs tors. theta energy: -43.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -532.083499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.083499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.083499 (E_RNA)
where:
Base-Base interactions energy: -369.056
where: short stacking energy: -170.775
Base-Backbone interact. energy: -0.609
local terms energy: -162.418249
where:
bonds (distance) C4'-P energy: -22.071
bonds (distance) P-C4' energy: -30.202
flat angles C4'-P-C4' energy: -37.902
flat angles P-C4'-P energy: -21.830
tors. eta vs tors. theta energy: -50.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -485.454072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.454072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.454072 (E_RNA)
where:
Base-Base interactions energy: -339.541
where: short stacking energy: -157.210
Base-Backbone interact. energy: -1.169
local terms energy: -144.743420
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -36.162
flat angles C4'-P-C4' energy: -29.092
flat angles P-C4'-P energy: -23.018
tors. eta vs tors. theta energy: -38.368
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: 5
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -515.982256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.982256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.982256 (E_RNA)
where:
Base-Base interactions energy: -355.016
where: short stacking energy: -149.509
Base-Backbone interact. energy: -0.133
local terms energy: -160.833233
where:
bonds (distance) C4'-P energy: -30.557
bonds (distance) P-C4' energy: -29.698
flat angles C4'-P-C4' energy: -32.553
flat angles P-C4'-P energy: -25.615
tors. eta vs tors. theta energy: -42.410
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: 7
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -491.512060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.512060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.512060 (E_RNA)
where:
Base-Base interactions energy: -347.116
where: short stacking energy: -157.721
Base-Backbone interact. energy: -0.024
local terms energy: -144.371949
where:
bonds (distance) C4'-P energy: -28.714
bonds (distance) P-C4' energy: -25.193
flat angles C4'-P-C4' energy: -31.208
flat angles P-C4'-P energy: -19.345
tors. eta vs tors. theta energy: -39.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -400.558223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.558223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.558223 (E_RNA)
where:
Base-Base interactions energy: -264.286
where: short stacking energy: -131.293
Base-Backbone interact. energy: -0.542
local terms energy: -135.730998
where:
bonds (distance) C4'-P energy: -22.491
bonds (distance) P-C4' energy: -34.757
flat angles C4'-P-C4' energy: -32.948
flat angles P-C4'-P energy: -18.317
tors. eta vs tors. theta energy: -27.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -368.116579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.116579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.116579 (E_RNA)
where:
Base-Base interactions energy: -243.920
where: short stacking energy: -110.379
Base-Backbone interact. energy: -0.447
local terms energy: -123.749639
where:
bonds (distance) C4'-P energy: -23.012
bonds (distance) P-C4' energy: -27.031
flat angles C4'-P-C4' energy: -27.202
flat angles P-C4'-P energy: -18.346
tors. eta vs tors. theta energy: -28.159
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: 419
Temperature: 1.350000
Total energy: -325.010947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.010947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.010947 (E_RNA)
where:
Base-Base interactions energy: -219.807
where: short stacking energy: -101.971
Base-Backbone interact. energy: 1.282
local terms energy: -106.485705
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -29.540
flat angles C4'-P-C4' energy: -21.182
flat angles P-C4'-P energy: -17.098
tors. eta vs tors. theta energy: -21.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -594.771834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.771834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.771834 (E_RNA)
where:
Base-Base interactions energy: -418.568
where: short stacking energy: -187.350
Base-Backbone interact. energy: -2.185
local terms energy: -174.018273
where:
bonds (distance) C4'-P energy: -30.161
bonds (distance) P-C4' energy: -25.853
flat angles C4'-P-C4' energy: -36.875
flat angles P-C4'-P energy: -26.403
tors. eta vs tors. theta energy: -54.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -591.448583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.448583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.448583 (E_RNA)
where:
Base-Base interactions energy: -410.152
where: short stacking energy: -164.484
Base-Backbone interact. energy: -1.291
local terms energy: -180.005577
where:
bonds (distance) C4'-P energy: -36.987
bonds (distance) P-C4' energy: -33.930
flat angles C4'-P-C4' energy: -36.180
flat angles P-C4'-P energy: -24.643
tors. eta vs tors. theta energy: -48.266
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: 420
Temperature: 1.000000
Total energy: -585.401974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.401974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.401974 (E_RNA)
where:
Base-Base interactions energy: -421.547
where: short stacking energy: -160.360
Base-Backbone interact. energy: 0.897
local terms energy: -164.751613
where:
bonds (distance) C4'-P energy: -35.340
bonds (distance) P-C4' energy: -24.341
flat angles C4'-P-C4' energy: -34.960
flat angles P-C4'-P energy: -25.840
tors. eta vs tors. theta energy: -44.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -524.977136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.977136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.977136 (E_RNA)
where:
Base-Base interactions energy: -363.293
where: short stacking energy: -164.558
Base-Backbone interact. energy: -0.038
local terms energy: -161.646216
where:
bonds (distance) C4'-P energy: -32.574
bonds (distance) P-C4' energy: -30.282
flat angles C4'-P-C4' energy: -35.544
flat angles P-C4'-P energy: -15.982
tors. eta vs tors. theta energy: -47.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -524.800682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.800682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.800682 (E_RNA)
where:
Base-Base interactions energy: -374.411
where: short stacking energy: -169.898
Base-Backbone interact. energy: -0.225
local terms energy: -150.164901
where:
bonds (distance) C4'-P energy: -30.660
bonds (distance) P-C4' energy: -24.664
flat angles C4'-P-C4' energy: -26.570
flat angles P-C4'-P energy: -20.962
tors. eta vs tors. theta energy: -47.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -484.282191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.282191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.282191 (E_RNA)
where:
Base-Base interactions energy: -338.940
where: short stacking energy: -156.029
Base-Backbone interact. energy: -0.923
local terms energy: -144.418866
where:
bonds (distance) C4'-P energy: -28.472
bonds (distance) P-C4' energy: -26.707
flat angles C4'-P-C4' energy: -27.143
flat angles P-C4'-P energy: -21.464
tors. eta vs tors. theta energy: -40.633
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: 7
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -486.616123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.616123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.616123 (E_RNA)
where:
Base-Base interactions energy: -345.332
where: short stacking energy: -136.686
Base-Backbone interact. energy: -0.179
local terms energy: -141.104988
where:
bonds (distance) C4'-P energy: -25.034
bonds (distance) P-C4' energy: -25.877
flat angles C4'-P-C4' energy: -30.829
flat angles P-C4'-P energy: -22.423
tors. eta vs tors. theta energy: -36.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -395.361240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.361240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.361240 (E_RNA)
where:
Base-Base interactions energy: -257.365
where: short stacking energy: -124.941
Base-Backbone interact. energy: -0.832
local terms energy: -137.164599
where:
bonds (distance) C4'-P energy: -32.638
bonds (distance) P-C4' energy: -32.621
flat angles C4'-P-C4' energy: -29.913
flat angles P-C4'-P energy: -23.720
tors. eta vs tors. theta energy: -18.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -349.589404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.589404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.589404 (E_RNA)
where:
Base-Base interactions energy: -236.823
where: short stacking energy: -103.596
Base-Backbone interact. energy: -0.129
local terms energy: -112.637757
where:
bonds (distance) C4'-P energy: -25.201
bonds (distance) P-C4' energy: -23.225
flat angles C4'-P-C4' energy: -21.568
flat angles P-C4'-P energy: -19.123
tors. eta vs tors. theta energy: -23.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -296.465610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.465610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.465610 (E_RNA)
where:
Base-Base interactions energy: -186.214
where: short stacking energy: -101.044
Base-Backbone interact. energy: -0.435
local terms energy: -109.816500
where:
bonds (distance) C4'-P energy: -16.307
bonds (distance) P-C4' energy: -25.605
flat angles C4'-P-C4' energy: -28.834
flat angles P-C4'-P energy: -17.362
tors. eta vs tors. theta energy: -21.708
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: 1, replica: 8
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -590.377681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.377681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.377681 (E_RNA)
where:
Base-Base interactions energy: -413.239
where: short stacking energy: -186.276
Base-Backbone interact. energy: -0.975
local terms energy: -176.163180
where:
bonds (distance) C4'-P energy: -30.951
bonds (distance) P-C4' energy: -34.066
flat angles C4'-P-C4' energy: -34.215
flat angles P-C4'-P energy: -21.994
tors. eta vs tors. theta energy: -54.937
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: 2
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -584.851082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.851082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.851082 (E_RNA)
where:
Base-Base interactions energy: -421.111
where: short stacking energy: -162.749
Base-Backbone interact. energy: -0.811
local terms energy: -162.928396
where:
bonds (distance) C4'-P energy: -33.413
bonds (distance) P-C4' energy: -27.413
flat angles C4'-P-C4' energy: -35.858
flat angles P-C4'-P energy: -22.190
tors. eta vs tors. theta energy: -44.054
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: 9
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -581.052720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.052720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.052720 (E_RNA)
where:
Base-Base interactions energy: -410.125
where: short stacking energy: -157.524
Base-Backbone interact. energy: -2.565
local terms energy: -168.363514
where:
bonds (distance) C4'-P energy: -27.095
bonds (distance) P-C4' energy: -31.544
flat angles C4'-P-C4' energy: -34.499
flat angles P-C4'-P energy: -29.323
tors. eta vs tors. theta energy: -45.902
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: 6
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -531.095587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.095587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.095587 (E_RNA)
where:
Base-Base interactions energy: -361.983
where: short stacking energy: -166.651
Base-Backbone interact. energy: -0.443
local terms energy: -168.669732
where:
bonds (distance) C4'-P energy: -22.779
bonds (distance) P-C4' energy: -36.458
flat angles C4'-P-C4' energy: -33.876
flat angles P-C4'-P energy: -27.424
tors. eta vs tors. theta energy: -48.132
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: 5
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -507.963006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.963006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.963006 (E_RNA)
where:
Base-Base interactions energy: -360.648
where: short stacking energy: -142.146
Base-Backbone interact. energy: -0.711
local terms energy: -146.603718
where:
bonds (distance) C4'-P energy: -24.332
bonds (distance) P-C4' energy: -32.165
flat angles C4'-P-C4' energy: -28.874
flat angles P-C4'-P energy: -21.617
tors. eta vs tors. theta energy: -39.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -506.917970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.917970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.917970 (E_RNA)
where:
Base-Base interactions energy: -344.877
where: short stacking energy: -147.942
Base-Backbone interact. energy: -0.473
local terms energy: -161.567597
where:
bonds (distance) C4'-P energy: -32.319
bonds (distance) P-C4' energy: -32.889
flat angles C4'-P-C4' energy: -34.495
flat angles P-C4'-P energy: -22.972
tors. eta vs tors. theta energy: -38.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -460.535024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.535024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.535024 (E_RNA)
where:
Base-Base interactions energy: -307.176
where: short stacking energy: -140.208
Base-Backbone interact. energy: -1.104
local terms energy: -152.255131
where:
bonds (distance) C4'-P energy: -30.369
bonds (distance) P-C4' energy: -27.383
flat angles C4'-P-C4' energy: -37.270
flat angles P-C4'-P energy: -24.415
tors. eta vs tors. theta energy: -32.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -426.913715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.913715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.913715 (E_RNA)
where:
Base-Base interactions energy: -290.515
where: short stacking energy: -143.407
Base-Backbone interact. energy: 0.331
local terms energy: -136.729967
where:
bonds (distance) C4'-P energy: -22.872
bonds (distance) P-C4' energy: -32.325
flat angles C4'-P-C4' energy: -29.061
flat angles P-C4'-P energy: -21.189
tors. eta vs tors. theta energy: -31.282
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: 3
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -343.052080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.052080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.052080 (E_RNA)
where:
Base-Base interactions energy: -215.764
where: short stacking energy: -104.233
Base-Backbone interact. energy: -0.438
local terms energy: -126.850156
where:
bonds (distance) C4'-P energy: -29.185
bonds (distance) P-C4' energy: -25.143
flat angles C4'-P-C4' energy: -25.781
flat angles P-C4'-P energy: -18.872
tors. eta vs tors. theta energy: -27.869
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: 421
Temperature: 1.350000
Total energy: -320.782294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.782294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.782294 (E_RNA)
where:
Base-Base interactions energy: -214.190
where: short stacking energy: -106.529
Base-Backbone interact. energy: -1.463
local terms energy: -105.129705
where:
bonds (distance) C4'-P energy: -23.351
bonds (distance) P-C4' energy: -24.656
flat angles C4'-P-C4' energy: -19.373
flat angles P-C4'-P energy: -19.546
tors. eta vs tors. theta energy: -18.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -596.751474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.751474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.751474 (E_RNA)
where:
Base-Base interactions energy: -411.647
where: short stacking energy: -176.324
Base-Backbone interact. energy: -0.240
local terms energy: -184.864558
where:
bonds (distance) C4'-P energy: -35.915
bonds (distance) P-C4' energy: -33.949
flat angles C4'-P-C4' energy: -35.911
flat angles P-C4'-P energy: -26.911
tors. eta vs tors. theta energy: -52.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -602.275082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.275082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.275082 (E_RNA)
where:
Base-Base interactions energy: -435.493
where: short stacking energy: -186.027
Base-Backbone interact. energy: -1.020
local terms energy: -165.761673
where:
bonds (distance) C4'-P energy: -26.834
bonds (distance) P-C4' energy: -27.374
flat angles C4'-P-C4' energy: -37.918
flat angles P-C4'-P energy: -26.837
tors. eta vs tors. theta energy: -46.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -536.028560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.028560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.028560 (E_RNA)
where:
Base-Base interactions energy: -367.130
where: short stacking energy: -162.453
Base-Backbone interact. energy: -1.471
local terms energy: -167.428215
where:
bonds (distance) C4'-P energy: -30.492
bonds (distance) P-C4' energy: -24.885
flat angles C4'-P-C4' energy: -35.725
flat angles P-C4'-P energy: -25.863
tors. eta vs tors. theta energy: -50.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -559.612247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.612247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.612247 (E_RNA)
where:
Base-Base interactions energy: -392.354
where: short stacking energy: -165.323
Base-Backbone interact. energy: 0.236
local terms energy: -167.493564
where:
bonds (distance) C4'-P energy: -37.377
bonds (distance) P-C4' energy: -29.997
flat angles C4'-P-C4' energy: -24.823
flat angles P-C4'-P energy: -28.215
tors. eta vs tors. theta energy: -47.082
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: 422
Temperature: 1.100000
Total energy: -515.338877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.338877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.338877 (E_RNA)
where:
Base-Base interactions energy: -351.343
where: short stacking energy: -154.434
Base-Backbone interact. energy: -0.732
local terms energy: -163.263817
where:
bonds (distance) C4'-P energy: -32.897
bonds (distance) P-C4' energy: -30.790
flat angles C4'-P-C4' energy: -34.054
flat angles P-C4'-P energy: -25.805
tors. eta vs tors. theta energy: -39.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -517.409511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.409511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.409511 (E_RNA)
where:
Base-Base interactions energy: -350.981
where: short stacking energy: -158.968
Base-Backbone interact. energy: -1.915
local terms energy: -164.513144
where:
bonds (distance) C4'-P energy: -32.262
bonds (distance) P-C4' energy: -29.808
flat angles C4'-P-C4' energy: -36.189
flat angles P-C4'-P energy: -25.620
tors. eta vs tors. theta energy: -40.633
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: 4
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -467.249647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.249647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.249647 (E_RNA)
where:
Base-Base interactions energy: -321.763
where: short stacking energy: -140.442
Base-Backbone interact. energy: -1.243
local terms energy: -144.244219
where:
bonds (distance) C4'-P energy: -25.378
bonds (distance) P-C4' energy: -29.665
flat angles C4'-P-C4' energy: -33.971
flat angles P-C4'-P energy: -15.620
tors. eta vs tors. theta energy: -39.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -420.070556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.070556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.070556 (E_RNA)
where:
Base-Base interactions energy: -279.749
where: short stacking energy: -120.535
Base-Backbone interact. energy: -0.077
local terms energy: -140.244517
where:
bonds (distance) C4'-P energy: -31.120
bonds (distance) P-C4' energy: -26.729
flat angles C4'-P-C4' energy: -34.067
flat angles P-C4'-P energy: -19.040
tors. eta vs tors. theta energy: -29.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -381.286400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.286400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.286400 (E_RNA)
where:
Base-Base interactions energy: -248.248
where: short stacking energy: -104.674
Base-Backbone interact. energy: -1.050
local terms energy: -131.988018
where:
bonds (distance) C4'-P energy: -27.850
bonds (distance) P-C4' energy: -25.465
flat angles C4'-P-C4' energy: -29.365
flat angles P-C4'-P energy: -19.546
tors. eta vs tors. theta energy: -29.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -340.558602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.558602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.558602 (E_RNA)
where:
Base-Base interactions energy: -230.041
where: short stacking energy: -109.278
Base-Backbone interact. energy: 5.872
local terms energy: -116.389477
where:
bonds (distance) C4'-P energy: -31.252
bonds (distance) P-C4' energy: -26.794
flat angles C4'-P-C4' energy: -21.893
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -22.988
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: 8
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -602.443441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.443441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.443441 (E_RNA)
where:
Base-Base interactions energy: -415.387
where: short stacking energy: -180.924
Base-Backbone interact. energy: -1.015
local terms energy: -186.040757
where:
bonds (distance) C4'-P energy: -30.175
bonds (distance) P-C4' energy: -32.955
flat angles C4'-P-C4' energy: -38.814
flat angles P-C4'-P energy: -31.565
tors. eta vs tors. theta energy: -52.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -600.064276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.064276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.064276 (E_RNA)
where:
Base-Base interactions energy: -431.089
where: short stacking energy: -180.310
Base-Backbone interact. energy: -0.541
local terms energy: -168.433788
where:
bonds (distance) C4'-P energy: -31.115
bonds (distance) P-C4' energy: -32.161
flat angles C4'-P-C4' energy: -34.666
flat angles P-C4'-P energy: -26.260
tors. eta vs tors. theta energy: -44.231
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: 6
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -538.084975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.084975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.084975 (E_RNA)
where:
Base-Base interactions energy: -374.779
where: short stacking energy: -170.746
Base-Backbone interact. energy: 1.011
local terms energy: -164.317210
where:
bonds (distance) C4'-P energy: -31.563
bonds (distance) P-C4' energy: -30.537
flat angles C4'-P-C4' energy: -35.997
flat angles P-C4'-P energy: -20.526
tors. eta vs tors. theta energy: -45.694
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: 9
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -569.389598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.389598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.389598 (E_RNA)
where:
Base-Base interactions energy: -412.942
where: short stacking energy: -158.210
Base-Backbone interact. energy: -0.147
local terms energy: -156.299927
where:
bonds (distance) C4'-P energy: -29.879
bonds (distance) P-C4' energy: -26.789
flat angles C4'-P-C4' energy: -32.269
flat angles P-C4'-P energy: -19.421
tors. eta vs tors. theta energy: -47.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -514.641985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.641985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.641985 (E_RNA)
where:
Base-Base interactions energy: -364.146
where: short stacking energy: -153.575
Base-Backbone interact. energy: -0.647
local terms energy: -149.848665
where:
bonds (distance) C4'-P energy: -26.297
bonds (distance) P-C4' energy: -34.417
flat angles C4'-P-C4' energy: -32.205
flat angles P-C4'-P energy: -20.866
tors. eta vs tors. theta energy: -36.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -508.867832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.867832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.867832 (E_RNA)
where:
Base-Base interactions energy: -363.608
where: short stacking energy: -160.124
Base-Backbone interact. energy: 2.079
local terms energy: -147.338927
where:
bonds (distance) C4'-P energy: -26.481
bonds (distance) P-C4' energy: -27.760
flat angles C4'-P-C4' energy: -29.888
flat angles P-C4'-P energy: -19.117
tors. eta vs tors. theta energy: -44.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -466.893011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.893011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.893011 (E_RNA)
where:
Base-Base interactions energy: -318.539
where: short stacking energy: -135.122
Base-Backbone interact. energy: -0.844
local terms energy: -147.510351
where:
bonds (distance) C4'-P energy: -28.045
bonds (distance) P-C4' energy: -25.011
flat angles C4'-P-C4' energy: -31.773
flat angles P-C4'-P energy: -23.337
tors. eta vs tors. theta energy: -39.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -433.470580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.470580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.470580 (E_RNA)
where:
Base-Base interactions energy: -297.244
where: short stacking energy: -133.558
Base-Backbone interact. energy: -2.198
local terms energy: -134.029036
where:
bonds (distance) C4'-P energy: -25.183
bonds (distance) P-C4' energy: -34.077
flat angles C4'-P-C4' energy: -24.815
flat angles P-C4'-P energy: -18.278
tors. eta vs tors. theta energy: -31.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -366.111587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.111587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.111587 (E_RNA)
where:
Base-Base interactions energy: -250.995
where: short stacking energy: -114.765
Base-Backbone interact. energy: 0.668
local terms energy: -115.785124
where:
bonds (distance) C4'-P energy: -22.639
bonds (distance) P-C4' energy: -28.516
flat angles C4'-P-C4' energy: -23.815
flat angles P-C4'-P energy: -15.450
tors. eta vs tors. theta energy: -25.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -329.506743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.506743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.506743 (E_RNA)
where:
Base-Base interactions energy: -215.889
where: short stacking energy: -110.675
Base-Backbone interact. energy: -0.277
local terms energy: -113.340713
where:
bonds (distance) C4'-P energy: -31.088
bonds (distance) P-C4' energy: -21.685
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -21.362
tors. eta vs tors. theta energy: -21.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -594.686407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.686407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.686407 (E_RNA)
where:
Base-Base interactions energy: -421.168
where: short stacking energy: -167.557
Base-Backbone interact. energy: -1.731
local terms energy: -171.787652
where:
bonds (distance) C4'-P energy: -36.068
bonds (distance) P-C4' energy: -33.863
flat angles C4'-P-C4' energy: -34.796
flat angles P-C4'-P energy: -26.521
tors. eta vs tors. theta energy: -40.540
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: 2, replica: 8
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -588.258678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.258678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.258678 (E_RNA)
where:
Base-Base interactions energy: -410.328
where: short stacking energy: -180.049
Base-Backbone interact. energy: -0.125
local terms energy: -177.804986
where:
bonds (distance) C4'-P energy: -30.921
bonds (distance) P-C4' energy: -31.720
flat angles C4'-P-C4' energy: -38.565
flat angles P-C4'-P energy: -23.666
tors. eta vs tors. theta energy: -52.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -578.964619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.964619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.964619 (E_RNA)
where:
Base-Base interactions energy: -414.992
where: short stacking energy: -176.492
Base-Backbone interact. energy: -0.906
local terms energy: -163.066571
where:
bonds (distance) C4'-P energy: -25.752
bonds (distance) P-C4' energy: -32.132
flat angles C4'-P-C4' energy: -33.689
flat angles P-C4'-P energy: -20.299
tors. eta vs tors. theta energy: -51.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -552.308917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.308917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.308917 (E_RNA)
where:
Base-Base interactions energy: -374.325
where: short stacking energy: -171.768
Base-Backbone interact. energy: -1.023
local terms energy: -176.961004
where:
bonds (distance) C4'-P energy: -34.846
bonds (distance) P-C4' energy: -35.261
flat angles C4'-P-C4' energy: -32.943
flat angles P-C4'-P energy: -22.060
tors. eta vs tors. theta energy: -51.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -540.441421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.441421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.441421 (E_RNA)
where:
Base-Base interactions energy: -386.929
where: short stacking energy: -165.628
Base-Backbone interact. energy: -0.111
local terms energy: -153.401906
where:
bonds (distance) C4'-P energy: -22.488
bonds (distance) P-C4' energy: -29.197
flat angles C4'-P-C4' energy: -34.796
flat angles P-C4'-P energy: -21.305
tors. eta vs tors. theta energy: -45.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -499.110906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.110906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.110906 (E_RNA)
where:
Base-Base interactions energy: -347.002
where: short stacking energy: -139.213
Base-Backbone interact. energy: -0.552
local terms energy: -151.557573
where:
bonds (distance) C4'-P energy: -28.189
bonds (distance) P-C4' energy: -29.545
flat angles C4'-P-C4' energy: -33.723
flat angles P-C4'-P energy: -20.290
tors. eta vs tors. theta energy: -39.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -472.284519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.284519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.284519 (E_RNA)
where:
Base-Base interactions energy: -322.051
where: short stacking energy: -137.566
Base-Backbone interact. energy: -0.804
local terms energy: -149.429597
where:
bonds (distance) C4'-P energy: -23.999
bonds (distance) P-C4' energy: -30.842
flat angles C4'-P-C4' energy: -36.417
flat angles P-C4'-P energy: -22.362
tors. eta vs tors. theta energy: -35.809
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: 1
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -449.463417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.463417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.463417 (E_RNA)
where:
Base-Base interactions energy: -311.840
where: short stacking energy: -129.174
Base-Backbone interact. energy: 0.557
local terms energy: -138.180757
where:
bonds (distance) C4'-P energy: -25.025
bonds (distance) P-C4' energy: -32.228
flat angles C4'-P-C4' energy: -31.793
flat angles P-C4'-P energy: -15.660
tors. eta vs tors. theta energy: -33.474
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: 3
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -348.246760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.246760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.246760 (E_RNA)
where:
Base-Base interactions energy: -224.220
where: short stacking energy: -115.159
Base-Backbone interact. energy: -0.104
local terms energy: -123.922575
where:
bonds (distance) C4'-P energy: -27.110
bonds (distance) P-C4' energy: -24.777
flat angles C4'-P-C4' energy: -29.856
flat angles P-C4'-P energy: -19.377
tors. eta vs tors. theta energy: -22.803
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: 424
Temperature: 1.350000
Total energy: -329.300108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.300108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.300108 (E_RNA)
where:
Base-Base interactions energy: -204.371
where: short stacking energy: -96.420
Base-Backbone interact. energy: -0.680
local terms energy: -124.249664
where:
bonds (distance) C4'-P energy: -25.154
bonds (distance) P-C4' energy: -23.853
flat angles C4'-P-C4' energy: -25.002
flat angles P-C4'-P energy: -23.629
tors. eta vs tors. theta energy: -26.612
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: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -584.452587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.452587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.452587 (E_RNA)
where:
Base-Base interactions energy: -422.129
where: short stacking energy: -166.128
Base-Backbone interact. energy: -0.641
local terms energy: -161.682442
where:
bonds (distance) C4'-P energy: -29.910
bonds (distance) P-C4' energy: -36.128
flat angles C4'-P-C4' energy: -35.013
flat angles P-C4'-P energy: -21.524
tors. eta vs tors. theta energy: -39.107
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: 9
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -590.063764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.063764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.063764 (E_RNA)
where:
Base-Base interactions energy: -416.268
where: short stacking energy: -179.800
Base-Backbone interact. energy: -0.862
local terms energy: -172.933487
where:
bonds (distance) C4'-P energy: -26.209
bonds (distance) P-C4' energy: -35.336
flat angles C4'-P-C4' energy: -34.442
flat angles P-C4'-P energy: -25.029
tors. eta vs tors. theta energy: -51.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -552.208087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.208087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.208087 (E_RNA)
where:
Base-Base interactions energy: -389.732
where: short stacking energy: -159.713
Base-Backbone interact. energy: -0.397
local terms energy: -162.079359
where:
bonds (distance) C4'-P energy: -34.842
bonds (distance) P-C4' energy: -29.801
flat angles C4'-P-C4' energy: -31.120
flat angles P-C4'-P energy: -16.586
tors. eta vs tors. theta energy: -49.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -561.227028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.227028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.227028 (E_RNA)
where:
Base-Base interactions energy: -399.642
where: short stacking energy: -169.138
Base-Backbone interact. energy: -0.360
local terms energy: -161.225255
where:
bonds (distance) C4'-P energy: -32.623
bonds (distance) P-C4' energy: -24.707
flat angles C4'-P-C4' energy: -30.360
flat angles P-C4'-P energy: -29.473
tors. eta vs tors. theta energy: -44.062
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: 5, replica: 6
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -521.269326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.269326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.269326 (E_RNA)
where:
Base-Base interactions energy: -364.677
where: short stacking energy: -161.351
Base-Backbone interact. energy: -0.142
local terms energy: -156.450146
where:
bonds (distance) C4'-P energy: -23.303
bonds (distance) P-C4' energy: -31.692
flat angles C4'-P-C4' energy: -36.253
flat angles P-C4'-P energy: -18.544
tors. eta vs tors. theta energy: -46.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -473.963592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.963592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.963592 (E_RNA)
where:
Base-Base interactions energy: -327.181
where: short stacking energy: -140.318
Base-Backbone interact. energy: -0.396
local terms energy: -146.387017
where:
bonds (distance) C4'-P energy: -35.567
bonds (distance) P-C4' energy: -25.274
flat angles C4'-P-C4' energy: -29.318
flat angles P-C4'-P energy: -18.940
tors. eta vs tors. theta energy: -37.288
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: 7, replica: 7
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -482.080613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.080613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.080613 (E_RNA)
where:
Base-Base interactions energy: -336.859
where: short stacking energy: -139.586
Base-Backbone interact. energy: -0.393
local terms energy: -144.829392
where:
bonds (distance) C4'-P energy: -23.598
bonds (distance) P-C4' energy: -29.368
flat angles C4'-P-C4' energy: -35.246
flat angles P-C4'-P energy: -21.949
tors. eta vs tors. theta energy: -34.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -449.010547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.010547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.010547 (E_RNA)
where:
Base-Base interactions energy: -329.723
where: short stacking energy: -149.382
Base-Backbone interact. energy: -0.825
local terms energy: -118.462500
where:
bonds (distance) C4'-P energy: -22.990
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -22.456
flat angles P-C4'-P energy: -18.086
tors. eta vs tors. theta energy: -38.035
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: 3
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -336.105177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.105177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.105177 (E_RNA)
where:
Base-Base interactions energy: -217.875
where: short stacking energy: -93.496
Base-Backbone interact. energy: 0.291
local terms energy: -118.521613
where:
bonds (distance) C4'-P energy: -28.351
bonds (distance) P-C4' energy: -28.931
flat angles C4'-P-C4' energy: -30.991
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -18.179
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: 425
Temperature: 1.350000
Total energy: -331.576587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.576587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.576587 (E_RNA)
where:
Base-Base interactions energy: -213.624
where: short stacking energy: -104.878
Base-Backbone interact. energy: -0.278
local terms energy: -117.674698
where:
bonds (distance) C4'-P energy: -26.018
bonds (distance) P-C4' energy: -29.193
flat angles C4'-P-C4' energy: -26.118
flat angles P-C4'-P energy: -14.993
tors. eta vs tors. theta energy: -21.352
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: 9
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -594.756244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.756244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.756244 (E_RNA)
where:
Base-Base interactions energy: -427.015
where: short stacking energy: -173.104
Base-Backbone interact. energy: -0.847
local terms energy: -166.894022
where:
bonds (distance) C4'-P energy: -25.675
bonds (distance) P-C4' energy: -33.330
flat angles C4'-P-C4' energy: -32.270
flat angles P-C4'-P energy: -24.136
tors. eta vs tors. theta energy: -51.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -580.610990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.610990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.610990 (E_RNA)
where:
Base-Base interactions energy: -418.102
where: short stacking energy: -167.038
Base-Backbone interact. energy: 0.707
local terms energy: -163.216208
where:
bonds (distance) C4'-P energy: -29.084
bonds (distance) P-C4' energy: -33.557
flat angles C4'-P-C4' energy: -33.894
flat angles P-C4'-P energy: -24.634
tors. eta vs tors. theta energy: -42.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -562.423688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.423688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.423688 (E_RNA)
where:
Base-Base interactions energy: -393.690
where: short stacking energy: -161.261
Base-Backbone interact. energy: -1.135
local terms energy: -167.599268
where:
bonds (distance) C4'-P energy: -31.332
bonds (distance) P-C4' energy: -33.389
flat angles C4'-P-C4' energy: -35.369
flat angles P-C4'-P energy: -20.158
tors. eta vs tors. theta energy: -47.351
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: 5
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -546.010539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.010539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.010539 (E_RNA)
where:
Base-Base interactions energy: -388.291
where: short stacking energy: -160.351
Base-Backbone interact. energy: -0.876
local terms energy: -156.843015
where:
bonds (distance) C4'-P energy: -28.142
bonds (distance) P-C4' energy: -33.086
flat angles C4'-P-C4' energy: -26.188
flat angles P-C4'-P energy: -21.161
tors. eta vs tors. theta energy: -48.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -517.004255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.004255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.004255 (E_RNA)
where:
Base-Base interactions energy: -360.062
where: short stacking energy: -165.439
Base-Backbone interact. energy: -0.552
local terms energy: -156.390206
where:
bonds (distance) C4'-P energy: -23.911
bonds (distance) P-C4' energy: -29.849
flat angles C4'-P-C4' energy: -33.614
flat angles P-C4'-P energy: -23.390
tors. eta vs tors. theta energy: -45.625
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: 4
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -468.498356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.498356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.498356 (E_RNA)
where:
Base-Base interactions energy: -328.449
where: short stacking energy: -149.208
Base-Backbone interact. energy: 2.414
local terms energy: -142.463397
where:
bonds (distance) C4'-P energy: -24.775
bonds (distance) P-C4' energy: -32.037
flat angles C4'-P-C4' energy: -36.084
flat angles P-C4'-P energy: -14.505
tors. eta vs tors. theta energy: -35.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -486.488739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.488739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.488739 (E_RNA)
where:
Base-Base interactions energy: -337.218
where: short stacking energy: -147.923
Base-Backbone interact. energy: -0.171
local terms energy: -149.098970
where:
bonds (distance) C4'-P energy: -31.154
bonds (distance) P-C4' energy: -30.208
flat angles C4'-P-C4' energy: -19.834
flat angles P-C4'-P energy: -24.725
tors. eta vs tors. theta energy: -43.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -425.338072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.338072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.338072 (E_RNA)
where:
Base-Base interactions energy: -283.059
where: short stacking energy: -127.224
Base-Backbone interact. energy: -0.430
local terms energy: -141.849401
where:
bonds (distance) C4'-P energy: -23.672
bonds (distance) P-C4' energy: -33.349
flat angles C4'-P-C4' energy: -30.519
flat angles P-C4'-P energy: -24.146
tors. eta vs tors. theta energy: -30.164
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: 9, replica: 10
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -379.583486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.583486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.583486 (E_RNA)
where:
Base-Base interactions energy: -247.748
where: short stacking energy: -118.367
Base-Backbone interact. energy: -0.693
local terms energy: -131.142809
where:
bonds (distance) C4'-P energy: -24.559
bonds (distance) P-C4' energy: -30.340
flat angles C4'-P-C4' energy: -25.105
flat angles P-C4'-P energy: -24.332
tors. eta vs tors. theta energy: -26.807
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: 3
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -342.827221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.827221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.827221 (E_RNA)
where:
Base-Base interactions energy: -219.753
where: short stacking energy: -94.483
Base-Backbone interact. energy: -1.785
local terms energy: -121.288874
where:
bonds (distance) C4'-P energy: -29.492
bonds (distance) P-C4' energy: -25.505
flat angles C4'-P-C4' energy: -24.847
flat angles P-C4'-P energy: -23.361
tors. eta vs tors. theta energy: -18.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -589.339191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.339191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.339191 (E_RNA)
where:
Base-Base interactions energy: -423.896
where: short stacking energy: -169.325
Base-Backbone interact. energy: -0.707
local terms energy: -164.736343
where:
bonds (distance) C4'-P energy: -32.955
bonds (distance) P-C4' energy: -25.601
flat angles C4'-P-C4' energy: -36.290
flat angles P-C4'-P energy: -22.673
tors. eta vs tors. theta energy: -47.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -593.988255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.988255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.988255 (E_RNA)
where:
Base-Base interactions energy: -429.060
where: short stacking energy: -171.493
Base-Backbone interact. energy: -0.289
local terms energy: -164.639512
where:
bonds (distance) C4'-P energy: -32.054
bonds (distance) P-C4' energy: -26.987
flat angles C4'-P-C4' energy: -34.109
flat angles P-C4'-P energy: -28.168
tors. eta vs tors. theta energy: -43.321
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: 8
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -577.504935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.504935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.504935 (E_RNA)
where:
Base-Base interactions energy: -410.885
where: short stacking energy: -181.536
Base-Backbone interact. energy: -0.778
local terms energy: -165.841865
where:
bonds (distance) C4'-P energy: -26.791
bonds (distance) P-C4' energy: -30.268
flat angles C4'-P-C4' energy: -35.821
flat angles P-C4'-P energy: -23.255
tors. eta vs tors. theta energy: -49.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -526.141232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.141232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.141232 (E_RNA)
where:
Base-Base interactions energy: -365.057
where: short stacking energy: -162.630
Base-Backbone interact. energy: -0.163
local terms energy: -160.921236
where:
bonds (distance) C4'-P energy: -26.978
bonds (distance) P-C4' energy: -26.738
flat angles C4'-P-C4' energy: -34.746
flat angles P-C4'-P energy: -28.678
tors. eta vs tors. theta energy: -43.781
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: 5
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -548.980283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.980283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.980283 (E_RNA)
where:
Base-Base interactions energy: -377.742
where: short stacking energy: -163.516
Base-Backbone interact. energy: -0.585
local terms energy: -170.652837
where:
bonds (distance) C4'-P energy: -33.652
bonds (distance) P-C4' energy: -31.166
flat angles C4'-P-C4' energy: -29.007
flat angles P-C4'-P energy: -26.352
tors. eta vs tors. theta energy: -50.475
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: 7
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -504.011645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.011645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.011645 (E_RNA)
where:
Base-Base interactions energy: -357.980
where: short stacking energy: -157.925
Base-Backbone interact. energy: -0.404
local terms energy: -145.628072
where:
bonds (distance) C4'-P energy: -27.690
bonds (distance) P-C4' energy: -26.459
flat angles C4'-P-C4' energy: -38.119
flat angles P-C4'-P energy: -21.073
tors. eta vs tors. theta energy: -32.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -473.218411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.218411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.218411 (E_RNA)
where:
Base-Base interactions energy: -319.036
where: short stacking energy: -145.987
Base-Backbone interact. energy: -1.405
local terms energy: -152.777368
where:
bonds (distance) C4'-P energy: -24.087
bonds (distance) P-C4' energy: -33.337
flat angles C4'-P-C4' energy: -31.944
flat angles P-C4'-P energy: -21.739
tors. eta vs tors. theta energy: -41.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -433.086747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.086747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.086747 (E_RNA)
where:
Base-Base interactions energy: -289.440
where: short stacking energy: -127.974
Base-Backbone interact. energy: -0.023
local terms energy: -143.623791
where:
bonds (distance) C4'-P energy: -24.001
bonds (distance) P-C4' energy: -33.128
flat angles C4'-P-C4' energy: -25.317
flat angles P-C4'-P energy: -24.339
tors. eta vs tors. theta energy: -36.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -374.062644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.062644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.062644 (E_RNA)
where:
Base-Base interactions energy: -262.085
where: short stacking energy: -117.518
Base-Backbone interact. energy: -0.010
local terms energy: -111.967743
where:
bonds (distance) C4'-P energy: -24.492
bonds (distance) P-C4' energy: -26.765
flat angles C4'-P-C4' energy: -24.381
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -22.594
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: 10, replica: 3
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -340.990234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.990234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.990234 (E_RNA)
where:
Base-Base interactions energy: -208.009
where: short stacking energy: -83.636
Base-Backbone interact. energy: -0.626
local terms energy: -132.355420
where:
bonds (distance) C4'-P energy: -28.972
bonds (distance) P-C4' energy: -31.063
flat angles C4'-P-C4' energy: -28.576
flat angles P-C4'-P energy: -20.229
tors. eta vs tors. theta energy: -23.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -589.627387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.627387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.627387 (E_RNA)
where:
Base-Base interactions energy: -419.982
where: short stacking energy: -162.904
Base-Backbone interact. energy: 0.015
local terms energy: -169.660935
where:
bonds (distance) C4'-P energy: -29.493
bonds (distance) P-C4' energy: -30.667
flat angles C4'-P-C4' energy: -36.616
flat angles P-C4'-P energy: -26.072
tors. eta vs tors. theta energy: -46.814
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: 2
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -593.048721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.048721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.048721 (E_RNA)
where:
Base-Base interactions energy: -427.104
where: short stacking energy: -169.482
Base-Backbone interact. energy: -0.910
local terms energy: -165.034427
where:
bonds (distance) C4'-P energy: -27.432
bonds (distance) P-C4' energy: -27.842
flat angles C4'-P-C4' energy: -37.537
flat angles P-C4'-P energy: -24.517
tors. eta vs tors. theta energy: -47.705
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: 8
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -567.805931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.805931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.805931 (E_RNA)
where:
Base-Base interactions energy: -392.360
where: short stacking energy: -170.405
Base-Backbone interact. energy: -1.465
local terms energy: -173.981302
where:
bonds (distance) C4'-P energy: -34.043
bonds (distance) P-C4' energy: -34.268
flat angles C4'-P-C4' energy: -34.084
flat angles P-C4'-P energy: -19.445
tors. eta vs tors. theta energy: -52.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -518.736946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.736946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.736946 (E_RNA)
where:
Base-Base interactions energy: -357.527
where: short stacking energy: -159.714
Base-Backbone interact. energy: -0.173
local terms energy: -161.036704
where:
bonds (distance) C4'-P energy: -27.513
bonds (distance) P-C4' energy: -25.629
flat angles C4'-P-C4' energy: -34.896
flat angles P-C4'-P energy: -27.645
tors. eta vs tors. theta energy: -45.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -514.060178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.060178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.060178 (E_RNA)
where:
Base-Base interactions energy: -364.371
where: short stacking energy: -154.332
Base-Backbone interact. energy: -1.118
local terms energy: -148.570454
where:
bonds (distance) C4'-P energy: -24.875
bonds (distance) P-C4' energy: -28.672
flat angles C4'-P-C4' energy: -36.804
flat angles P-C4'-P energy: -21.635
tors. eta vs tors. theta energy: -36.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -523.752572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.752572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.752572 (E_RNA)
where:
Base-Base interactions energy: -363.625
where: short stacking energy: -161.795
Base-Backbone interact. energy: -0.664
local terms energy: -159.463726
where:
bonds (distance) C4'-P energy: -27.832
bonds (distance) P-C4' energy: -29.213
flat angles C4'-P-C4' energy: -34.596
flat angles P-C4'-P energy: -23.177
tors. eta vs tors. theta energy: -44.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -451.310827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.310827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.310827 (E_RNA)
where:
Base-Base interactions energy: -306.001
where: short stacking energy: -132.564
Base-Backbone interact. energy: -0.399
local terms energy: -144.910725
where:
bonds (distance) C4'-P energy: -30.205
bonds (distance) P-C4' energy: -25.331
flat angles C4'-P-C4' energy: -35.063
flat angles P-C4'-P energy: -20.229
tors. eta vs tors. theta energy: -34.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -444.928440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.928440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.928440 (E_RNA)
where:
Base-Base interactions energy: -307.665
where: short stacking energy: -139.029
Base-Backbone interact. energy: 0.263
local terms energy: -137.526689
where:
bonds (distance) C4'-P energy: -28.069
bonds (distance) P-C4' energy: -28.070
flat angles C4'-P-C4' energy: -24.470
flat angles P-C4'-P energy: -20.907
tors. eta vs tors. theta energy: -36.011
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: 10
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -414.928231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.928231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.928231 (E_RNA)
where:
Base-Base interactions energy: -278.186
where: short stacking energy: -127.265
Base-Backbone interact. energy: -0.275
local terms energy: -136.467984
where:
bonds (distance) C4'-P energy: -30.193
bonds (distance) P-C4' energy: -24.686
flat angles C4'-P-C4' energy: -26.971
flat angles P-C4'-P energy: -19.944
tors. eta vs tors. theta energy: -34.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -331.783178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.783178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.783178 (E_RNA)
where:
Base-Base interactions energy: -222.317
where: short stacking energy: -108.884
Base-Backbone interact. energy: -1.895
local terms energy: -107.570786
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -22.812
flat angles C4'-P-C4' energy: -28.900
flat angles P-C4'-P energy: -16.162
tors. eta vs tors. theta energy: -24.435
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: 9
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -599.571665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.571665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.571665 (E_RNA)
where:
Base-Base interactions energy: -423.399
where: short stacking energy: -172.189
Base-Backbone interact. energy: -0.433
local terms energy: -175.739866
where:
bonds (distance) C4'-P energy: -35.796
bonds (distance) P-C4' energy: -34.499
flat angles C4'-P-C4' energy: -32.512
flat angles P-C4'-P energy: -25.030
tors. eta vs tors. theta energy: -47.902
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: 2
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -594.946513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.946513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.946513 (E_RNA)
where:
Base-Base interactions energy: -427.986
where: short stacking energy: -179.280
Base-Backbone interact. energy: 1.092
local terms energy: -168.052175
where:
bonds (distance) C4'-P energy: -24.822
bonds (distance) P-C4' energy: -36.186
flat angles C4'-P-C4' energy: -38.032
flat angles P-C4'-P energy: -22.946
tors. eta vs tors. theta energy: -46.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -571.719140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.719140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.719140 (E_RNA)
where:
Base-Base interactions energy: -398.670
where: short stacking energy: -172.056
Base-Backbone interact. energy: -0.202
local terms energy: -172.847238
where:
bonds (distance) C4'-P energy: -30.780
bonds (distance) P-C4' energy: -34.066
flat angles C4'-P-C4' energy: -31.316
flat angles P-C4'-P energy: -26.018
tors. eta vs tors. theta energy: -50.667
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: 7
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -527.475400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.475400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.475400 (E_RNA)
where:
Base-Base interactions energy: -358.997
where: short stacking energy: -156.273
Base-Backbone interact. energy: -0.840
local terms energy: -167.638487
where:
bonds (distance) C4'-P energy: -33.076
bonds (distance) P-C4' energy: -31.064
flat angles C4'-P-C4' energy: -37.833
flat angles P-C4'-P energy: -22.563
tors. eta vs tors. theta energy: -43.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -510.967177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.967177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.967177 (E_RNA)
where:
Base-Base interactions energy: -349.907
where: short stacking energy: -163.240
Base-Backbone interact. energy: -1.341
local terms energy: -159.719582
where:
bonds (distance) C4'-P energy: -30.516
bonds (distance) P-C4' energy: -23.962
flat angles C4'-P-C4' energy: -35.945
flat angles P-C4'-P energy: -26.255
tors. eta vs tors. theta energy: -43.041
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: 5
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -531.801081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.801081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.801081 (E_RNA)
where:
Base-Base interactions energy: -374.018
where: short stacking energy: -166.512
Base-Backbone interact. energy: 0.064
local terms energy: -157.846368
where:
bonds (distance) C4'-P energy: -30.465
bonds (distance) P-C4' energy: -28.658
flat angles C4'-P-C4' energy: -32.848
flat angles P-C4'-P energy: -17.020
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: 7, replica: 4
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -430.934273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.934273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.934273 (E_RNA)
where:
Base-Base interactions energy: -283.247
where: short stacking energy: -141.478
Base-Backbone interact. energy: -0.276
local terms energy: -147.411217
where:
bonds (distance) C4'-P energy: -25.318
bonds (distance) P-C4' energy: -34.340
flat angles C4'-P-C4' energy: -33.376
flat angles P-C4'-P energy: -21.482
tors. eta vs tors. theta energy: -32.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -414.480650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.480650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.480650 (E_RNA)
where:
Base-Base interactions energy: -283.740
where: short stacking energy: -122.823
Base-Backbone interact. energy: 1.061
local terms energy: -131.801795
where:
bonds (distance) C4'-P energy: -27.544
bonds (distance) P-C4' energy: -31.124
flat angles C4'-P-C4' energy: -21.511
flat angles P-C4'-P energy: -21.794
tors. eta vs tors. theta energy: -29.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -412.660070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.660070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.660070 (E_RNA)
where:
Base-Base interactions energy: -287.611
where: short stacking energy: -129.796
Base-Backbone interact. energy: 0.011
local terms energy: -125.060020
where:
bonds (distance) C4'-P energy: -24.896
bonds (distance) P-C4' energy: -29.192
flat angles C4'-P-C4' energy: -27.304
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -30.309
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: 3
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -313.183015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.183015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.183015 (E_RNA)
where:
Base-Base interactions energy: -192.677
where: short stacking energy: -98.035
Base-Backbone interact. energy: -0.951
local terms energy: -119.554999
where:
bonds (distance) C4'-P energy: -23.834
bonds (distance) P-C4' energy: -34.409
flat angles C4'-P-C4' energy: -30.755
flat angles P-C4'-P energy: -15.637
tors. eta vs tors. theta energy: -14.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -610.644096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.644096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.644096 (E_RNA)
where:
Base-Base interactions energy: -435.937
where: short stacking energy: -168.702
Base-Backbone interact. energy: -0.184
local terms energy: -174.523268
where:
bonds (distance) C4'-P energy: -33.948
bonds (distance) P-C4' energy: -30.968
flat angles C4'-P-C4' energy: -36.960
flat angles P-C4'-P energy: -26.600
tors. eta vs tors. theta energy: -46.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -571.287661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.287661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.287661 (E_RNA)
where:
Base-Base interactions energy: -405.837
where: short stacking energy: -169.387
Base-Backbone interact. energy: -0.627
local terms energy: -164.824152
where:
bonds (distance) C4'-P energy: -28.827
bonds (distance) P-C4' energy: -25.392
flat angles C4'-P-C4' energy: -36.681
flat angles P-C4'-P energy: -23.425
tors. eta vs tors. theta energy: -50.500
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: 3, replica: 8
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -568.444790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.444790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.444790 (E_RNA)
where:
Base-Base interactions energy: -402.433
where: short stacking energy: -174.240
Base-Backbone interact. energy: -0.233
local terms energy: -165.778771
where:
bonds (distance) C4'-P energy: -27.415
bonds (distance) P-C4' energy: -30.644
flat angles C4'-P-C4' energy: -34.907
flat angles P-C4'-P energy: -23.225
tors. eta vs tors. theta energy: -49.588
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: 4, replica: 7
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -539.611181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.611181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.611181 (E_RNA)
where:
Base-Base interactions energy: -375.289
where: short stacking energy: -164.577
Base-Backbone interact. energy: -0.656
local terms energy: -163.666988
where:
bonds (distance) C4'-P energy: -29.566
bonds (distance) P-C4' energy: -32.960
flat angles C4'-P-C4' energy: -38.210
flat angles P-C4'-P energy: -18.976
tors. eta vs tors. theta energy: -43.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -533.885846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.885846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.885846 (E_RNA)
where:
Base-Base interactions energy: -387.606
where: short stacking energy: -170.286
Base-Backbone interact. energy: -0.055
local terms energy: -146.224692
where:
bonds (distance) C4'-P energy: -26.893
bonds (distance) P-C4' energy: -28.918
flat angles C4'-P-C4' energy: -27.776
flat angles P-C4'-P energy: -18.500
tors. eta vs tors. theta energy: -44.137
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: 430
Temperature: 1.150000
Total energy: -514.112030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.112030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.112030 (E_RNA)
where:
Base-Base interactions energy: -349.623
where: short stacking energy: -164.690
Base-Backbone interact. energy: -0.459
local terms energy: -164.029673
where:
bonds (distance) C4'-P energy: -30.594
bonds (distance) P-C4' energy: -29.599
flat angles C4'-P-C4' energy: -31.936
flat angles P-C4'-P energy: -22.108
tors. eta vs tors. theta energy: -49.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -441.512833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.512833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.512833 (E_RNA)
where:
Base-Base interactions energy: -303.548
where: short stacking energy: -142.370
Base-Backbone interact. energy: -1.781
local terms energy: -136.183405
where:
bonds (distance) C4'-P energy: -26.017
bonds (distance) P-C4' energy: -26.732
flat angles C4'-P-C4' energy: -19.581
flat angles P-C4'-P energy: -20.588
tors. eta vs tors. theta energy: -43.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -467.714818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.714818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.714818 (E_RNA)
where:
Base-Base interactions energy: -321.775
where: short stacking energy: -142.970
Base-Backbone interact. energy: -0.953
local terms energy: -144.986379
where:
bonds (distance) C4'-P energy: -20.050
bonds (distance) P-C4' energy: -32.403
flat angles C4'-P-C4' energy: -31.406
flat angles P-C4'-P energy: -18.468
tors. eta vs tors. theta energy: -42.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -411.725652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.725652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.725652 (E_RNA)
where:
Base-Base interactions energy: -286.196
where: short stacking energy: -130.228
Base-Backbone interact. energy: -0.758
local terms energy: -124.771769
where:
bonds (distance) C4'-P energy: -25.556
bonds (distance) P-C4' energy: -24.347
flat angles C4'-P-C4' energy: -30.205
flat angles P-C4'-P energy: -19.461
tors. eta vs tors. theta energy: -25.203
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: 3
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -302.369821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.369821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.369821 (E_RNA)
where:
Base-Base interactions energy: -181.933
where: short stacking energy: -87.284
Base-Backbone interact. energy: -0.233
local terms energy: -120.204394
where:
bonds (distance) C4'-P energy: -26.460
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -32.430
flat angles P-C4'-P energy: -22.631
tors. eta vs tors. theta energy: -18.797
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: 1, replica: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -603.736793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.736793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.736793 (E_RNA)
where:
Base-Base interactions energy: -435.770
where: short stacking energy: -173.470
Base-Backbone interact. energy: -1.097
local terms energy: -166.869274
where:
bonds (distance) C4'-P energy: -28.470
bonds (distance) P-C4' energy: -30.926
flat angles C4'-P-C4' energy: -35.138
flat angles P-C4'-P energy: -26.595
tors. eta vs tors. theta energy: -45.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -577.757582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.757582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.757582 (E_RNA)
where:
Base-Base interactions energy: -413.429
where: short stacking energy: -161.899
Base-Backbone interact. energy: -0.665
local terms energy: -163.663026
where:
bonds (distance) C4'-P energy: -33.674
bonds (distance) P-C4' energy: -30.859
flat angles C4'-P-C4' energy: -35.229
flat angles P-C4'-P energy: -17.992
tors. eta vs tors. theta energy: -45.908
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: 9
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -564.961645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.961645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.961645 (E_RNA)
where:
Base-Base interactions energy: -397.744
where: short stacking energy: -161.814
Base-Backbone interact. energy: -0.220
local terms energy: -166.997166
where:
bonds (distance) C4'-P energy: -26.146
bonds (distance) P-C4' energy: -33.412
flat angles C4'-P-C4' energy: -34.413
flat angles P-C4'-P energy: -24.250
tors. eta vs tors. theta energy: -48.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -529.437758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.437758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.437758 (E_RNA)
where:
Base-Base interactions energy: -361.552
where: short stacking energy: -161.553
Base-Backbone interact. energy: -0.038
local terms energy: -167.848056
where:
bonds (distance) C4'-P energy: -32.958
bonds (distance) P-C4' energy: -31.536
flat angles C4'-P-C4' energy: -32.625
flat angles P-C4'-P energy: -21.673
tors. eta vs tors. theta energy: -49.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -528.120713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.120713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.120713 (E_RNA)
where:
Base-Base interactions energy: -363.934
where: short stacking energy: -162.981
Base-Backbone interact. energy: -0.060
local terms energy: -164.126803
where:
bonds (distance) C4'-P energy: -35.165
bonds (distance) P-C4' energy: -32.842
flat angles C4'-P-C4' energy: -34.636
flat angles P-C4'-P energy: -16.981
tors. eta vs tors. theta energy: -44.503
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: 6
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -535.495308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.495308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.495308 (E_RNA)
where:
Base-Base interactions energy: -366.838
where: short stacking energy: -172.533
Base-Backbone interact. energy: -0.263
local terms energy: -168.394122
where:
bonds (distance) C4'-P energy: -32.220
bonds (distance) P-C4' energy: -29.463
flat angles C4'-P-C4' energy: -37.709
flat angles P-C4'-P energy: -22.329
tors. eta vs tors. theta energy: -46.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -428.575447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.575447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.575447 (E_RNA)
where:
Base-Base interactions energy: -288.036
where: short stacking energy: -125.374
Base-Backbone interact. energy: 0.109
local terms energy: -140.649101
where:
bonds (distance) C4'-P energy: -31.453
bonds (distance) P-C4' energy: -33.482
flat angles C4'-P-C4' energy: -24.575
flat angles P-C4'-P energy: -22.829
tors. eta vs tors. theta energy: -28.311
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: 4
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -460.438876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.438876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.438876 (E_RNA)
where:
Base-Base interactions energy: -323.095
where: short stacking energy: -147.532
Base-Backbone interact. energy: -0.046
local terms energy: -137.297582
where:
bonds (distance) C4'-P energy: -24.938
bonds (distance) P-C4' energy: -21.496
flat angles C4'-P-C4' energy: -30.584
flat angles P-C4'-P energy: -20.066
tors. eta vs tors. theta energy: -40.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -403.158780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.158780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.158780 (E_RNA)
where:
Base-Base interactions energy: -269.706
where: short stacking energy: -123.212
Base-Backbone interact. energy: -0.054
local terms energy: -133.398629
where:
bonds (distance) C4'-P energy: -26.874
bonds (distance) P-C4' energy: -29.067
flat angles C4'-P-C4' energy: -30.024
flat angles P-C4'-P energy: -16.134
tors. eta vs tors. theta energy: -31.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -266.971129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.971129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.971129 (E_RNA)
where:
Base-Base interactions energy: -158.189
where: short stacking energy: -89.468
Base-Backbone interact. energy: -0.725
local terms energy: -108.056784
where:
bonds (distance) C4'-P energy: -29.262
bonds (distance) P-C4' energy: -30.668
flat angles C4'-P-C4' energy: -20.919
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -17.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -579.544572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.544572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.544572 (E_RNA)
where:
Base-Base interactions energy: -402.832
where: short stacking energy: -176.897
Base-Backbone interact. energy: -0.279
local terms energy: -176.433959
where:
bonds (distance) C4'-P energy: -32.119
bonds (distance) P-C4' energy: -33.810
flat angles C4'-P-C4' energy: -38.926
flat angles P-C4'-P energy: -22.059
tors. eta vs tors. theta energy: -49.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -603.680859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.680859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.680859 (E_RNA)
where:
Base-Base interactions energy: -430.730
where: short stacking energy: -177.166
Base-Backbone interact. energy: -1.097
local terms energy: -171.853434
where:
bonds (distance) C4'-P energy: -29.262
bonds (distance) P-C4' energy: -32.446
flat angles C4'-P-C4' energy: -38.228
flat angles P-C4'-P energy: -24.701
tors. eta vs tors. theta energy: -47.216
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: 9
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -571.133686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.133686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.133686 (E_RNA)
where:
Base-Base interactions energy: -390.666
where: short stacking energy: -162.648
Base-Backbone interact. energy: 0.863
local terms energy: -181.331079
where:
bonds (distance) C4'-P energy: -34.284
bonds (distance) P-C4' energy: -31.928
flat angles C4'-P-C4' energy: -38.178
flat angles P-C4'-P energy: -25.348
tors. eta vs tors. theta energy: -51.593
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: 5
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -539.528194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.528194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.528194 (E_RNA)
where:
Base-Base interactions energy: -375.938
where: short stacking energy: -164.227
Base-Backbone interact. energy: -0.454
local terms energy: -163.136610
where:
bonds (distance) C4'-P energy: -29.390
bonds (distance) P-C4' energy: -32.345
flat angles C4'-P-C4' energy: -33.320
flat angles P-C4'-P energy: -20.012
tors. eta vs tors. theta energy: -48.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -514.051135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.051135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.051135 (E_RNA)
where:
Base-Base interactions energy: -344.312
where: short stacking energy: -150.870
Base-Backbone interact. energy: 0.388
local terms energy: -170.127023
where:
bonds (distance) C4'-P energy: -33.777
bonds (distance) P-C4' energy: -33.854
flat angles C4'-P-C4' energy: -31.875
flat angles P-C4'-P energy: -26.592
tors. eta vs tors. theta energy: -44.030
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: 6, replica: 6
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -515.052503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.052503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.052503 (E_RNA)
where:
Base-Base interactions energy: -357.697
where: short stacking energy: -165.998
Base-Backbone interact. energy: 0.149
local terms energy: -157.504769
where:
bonds (distance) C4'-P energy: -29.195
bonds (distance) P-C4' energy: -27.574
flat angles C4'-P-C4' energy: -36.284
flat angles P-C4'-P energy: -16.298
tors. eta vs tors. theta energy: -48.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -430.197774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.197774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.197774 (E_RNA)
where:
Base-Base interactions energy: -291.189
where: short stacking energy: -124.112
Base-Backbone interact. energy: -0.488
local terms energy: -138.521469
where:
bonds (distance) C4'-P energy: -28.462
bonds (distance) P-C4' energy: -30.728
flat angles C4'-P-C4' energy: -30.982
flat angles P-C4'-P energy: -20.612
tors. eta vs tors. theta energy: -27.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -436.657566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.657566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.657566 (E_RNA)
where:
Base-Base interactions energy: -301.406
where: short stacking energy: -132.752
Base-Backbone interact. energy: -0.892
local terms energy: -134.358897
where:
bonds (distance) C4'-P energy: -25.263
bonds (distance) P-C4' energy: -28.570
flat angles C4'-P-C4' energy: -35.905
flat angles P-C4'-P energy: -13.895
tors. eta vs tors. theta energy: -30.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -416.996447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.996447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.996447 (E_RNA)
where:
Base-Base interactions energy: -295.907
where: short stacking energy: -126.958
Base-Backbone interact. energy: -0.070
local terms energy: -121.019330
where:
bonds (distance) C4'-P energy: -30.578
bonds (distance) P-C4' energy: -23.375
flat angles C4'-P-C4' energy: -30.273
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -24.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -320.913802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.913802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.913802 (E_RNA)
where:
Base-Base interactions energy: -225.677
where: short stacking energy: -103.144
Base-Backbone interact. energy: -0.848
local terms energy: -94.388572
where:
bonds (distance) C4'-P energy: -20.949
bonds (distance) P-C4' energy: -26.798
flat angles C4'-P-C4' energy: -20.467
flat angles P-C4'-P energy: -13.454
tors. eta vs tors. theta energy: -12.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -590.304960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.304960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.304960 (E_RNA)
where:
Base-Base interactions energy: -412.995
where: short stacking energy: -177.237
Base-Backbone interact. energy: -2.093
local terms energy: -175.216620
where:
bonds (distance) C4'-P energy: -32.305
bonds (distance) P-C4' energy: -34.550
flat angles C4'-P-C4' energy: -31.164
flat angles P-C4'-P energy: -26.877
tors. eta vs tors. theta energy: -50.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -598.609260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.609260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.609260 (E_RNA)
where:
Base-Base interactions energy: -420.933
where: short stacking energy: -164.103
Base-Backbone interact. energy: -0.140
local terms energy: -177.536421
where:
bonds (distance) C4'-P energy: -27.296
bonds (distance) P-C4' energy: -38.162
flat angles C4'-P-C4' energy: -36.004
flat angles P-C4'-P energy: -30.459
tors. eta vs tors. theta energy: -45.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -569.074360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.074360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.074360 (E_RNA)
where:
Base-Base interactions energy: -404.772
where: short stacking energy: -168.673
Base-Backbone interact. energy: -0.848
local terms energy: -163.453994
where:
bonds (distance) C4'-P energy: -30.649
bonds (distance) P-C4' energy: -28.907
flat angles C4'-P-C4' energy: -29.786
flat angles P-C4'-P energy: -23.013
tors. eta vs tors. theta energy: -51.099
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: 7
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -541.904652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.904652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.904652 (E_RNA)
where:
Base-Base interactions energy: -370.798
where: short stacking energy: -164.163
Base-Backbone interact. energy: -0.509
local terms energy: -170.597676
where:
bonds (distance) C4'-P energy: -30.135
bonds (distance) P-C4' energy: -30.079
flat angles C4'-P-C4' energy: -38.719
flat angles P-C4'-P energy: -26.273
tors. eta vs tors. theta energy: -45.392
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: 5
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -540.193774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.193774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.193774 (E_RNA)
where:
Base-Base interactions energy: -380.644
where: short stacking energy: -162.725
Base-Backbone interact. energy: -0.657
local terms energy: -158.893311
where:
bonds (distance) C4'-P energy: -30.544
bonds (distance) P-C4' energy: -25.785
flat angles C4'-P-C4' energy: -32.772
flat angles P-C4'-P energy: -21.877
tors. eta vs tors. theta energy: -47.916
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: 6, replica: 6
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -523.840290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.840290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.840290 (E_RNA)
where:
Base-Base interactions energy: -360.189
where: short stacking energy: -158.696
Base-Backbone interact. energy: -0.614
local terms energy: -163.038105
where:
bonds (distance) C4'-P energy: -32.773
bonds (distance) P-C4' energy: -29.901
flat angles C4'-P-C4' energy: -33.073
flat angles P-C4'-P energy: -24.082
tors. eta vs tors. theta energy: -43.209
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: 10
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -422.120726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.120726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.120726 (E_RNA)
where:
Base-Base interactions energy: -290.143
where: short stacking energy: -113.664
Base-Backbone interact. energy: 0.193
local terms energy: -132.170397
where:
bonds (distance) C4'-P energy: -28.653
bonds (distance) P-C4' energy: -28.161
flat angles C4'-P-C4' energy: -25.913
flat angles P-C4'-P energy: -23.739
tors. eta vs tors. theta energy: -25.704
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: 4
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -448.148570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.148570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.148570 (E_RNA)
where:
Base-Base interactions energy: -309.920
where: short stacking energy: -135.643
Base-Backbone interact. energy: -1.307
local terms energy: -136.921390
where:
bonds (distance) C4'-P energy: -26.450
bonds (distance) P-C4' energy: -22.815
flat angles C4'-P-C4' energy: -38.541
flat angles P-C4'-P energy: -20.176
tors. eta vs tors. theta energy: -28.939
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: 1
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -414.524940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.524940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.524940 (E_RNA)
where:
Base-Base interactions energy: -281.749
where: short stacking energy: -106.730
Base-Backbone interact. energy: -0.638
local terms energy: -132.138268
where:
bonds (distance) C4'-P energy: -31.238
bonds (distance) P-C4' energy: -22.491
flat angles C4'-P-C4' energy: -34.084
flat angles P-C4'-P energy: -17.235
tors. eta vs tors. theta energy: -27.090
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: 3
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -348.343770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.343770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.343770 (E_RNA)
where:
Base-Base interactions energy: -233.426
where: short stacking energy: -102.977
Base-Backbone interact. energy: 1.593
local terms energy: -116.511192
where:
bonds (distance) C4'-P energy: -28.558
bonds (distance) P-C4' energy: -23.363
flat angles C4'-P-C4' energy: -27.048
flat angles P-C4'-P energy: -17.872
tors. eta vs tors. theta energy: -19.670
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: 2
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -600.761637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.761637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.761637 (E_RNA)
where:
Base-Base interactions energy: -429.810
where: short stacking energy: -172.468
Base-Backbone interact. energy: -0.926
local terms energy: -170.025759
where:
bonds (distance) C4'-P energy: -33.920
bonds (distance) P-C4' energy: -32.272
flat angles C4'-P-C4' energy: -35.227
flat angles P-C4'-P energy: -22.325
tors. eta vs tors. theta energy: -46.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -579.916775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.916775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.916775 (E_RNA)
where:
Base-Base interactions energy: -400.454
where: short stacking energy: -166.288
Base-Backbone interact. energy: -0.243
local terms energy: -179.220290
where:
bonds (distance) C4'-P energy: -37.782
bonds (distance) P-C4' energy: -29.673
flat angles C4'-P-C4' energy: -36.815
flat angles P-C4'-P energy: -26.681
tors. eta vs tors. theta energy: -48.270
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: 7
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -545.232881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.232881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.232881 (E_RNA)
where:
Base-Base interactions energy: -385.638
where: short stacking energy: -157.484
Base-Backbone interact. energy: -1.170
local terms energy: -158.424983
where:
bonds (distance) C4'-P energy: -24.880
bonds (distance) P-C4' energy: -28.046
flat angles C4'-P-C4' energy: -36.807
flat angles P-C4'-P energy: -24.944
tors. eta vs tors. theta energy: -43.748
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: 4, replica: 9
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -555.646329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.646329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.646329 (E_RNA)
where:
Base-Base interactions energy: -397.534
where: short stacking energy: -171.481
Base-Backbone interact. energy: -0.496
local terms energy: -157.615811
where:
bonds (distance) C4'-P energy: -23.176
bonds (distance) P-C4' energy: -32.980
flat angles C4'-P-C4' energy: -32.511
flat angles P-C4'-P energy: -23.637
tors. eta vs tors. theta energy: -45.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -521.129322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.129322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.129322 (E_RNA)
where:
Base-Base interactions energy: -352.266
where: short stacking energy: -156.596
Base-Backbone interact. energy: -0.114
local terms energy: -168.749624
where:
bonds (distance) C4'-P energy: -29.733
bonds (distance) P-C4' energy: -35.203
flat angles C4'-P-C4' energy: -32.102
flat angles P-C4'-P energy: -24.484
tors. eta vs tors. theta energy: -47.227
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: 434
Temperature: 1.150000
Total energy: -508.753886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.753886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.753886 (E_RNA)
where:
Base-Base interactions energy: -353.706
where: short stacking energy: -156.607
Base-Backbone interact. energy: 0.226
local terms energy: -155.273005
where:
bonds (distance) C4'-P energy: -22.187
bonds (distance) P-C4' energy: -27.145
flat angles C4'-P-C4' energy: -38.206
flat angles P-C4'-P energy: -25.810
tors. eta vs tors. theta energy: -41.924
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: 7, replica: 10
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -451.671453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.671453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.671453 (E_RNA)
where:
Base-Base interactions energy: -305.482
where: short stacking energy: -140.238
Base-Backbone interact. energy: -0.379
local terms energy: -145.810863
where:
bonds (distance) C4'-P energy: -32.966
bonds (distance) P-C4' energy: -29.824
flat angles C4'-P-C4' energy: -30.800
flat angles P-C4'-P energy: -18.674
tors. eta vs tors. theta energy: -33.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -425.319106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.319106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.319106 (E_RNA)
where:
Base-Base interactions energy: -294.881
where: short stacking energy: -116.619
Base-Backbone interact. energy: -1.264
local terms energy: -129.174970
where:
bonds (distance) C4'-P energy: -26.873
bonds (distance) P-C4' energy: -34.729
flat angles C4'-P-C4' energy: -28.166
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -26.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -406.996890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.996890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.996890 (E_RNA)
where:
Base-Base interactions energy: -277.910
where: short stacking energy: -128.209
Base-Backbone interact. energy: 0.343
local terms energy: -129.429789
where:
bonds (distance) C4'-P energy: -26.049
bonds (distance) P-C4' energy: -31.679
flat angles C4'-P-C4' energy: -29.751
flat angles P-C4'-P energy: -13.533
tors. eta vs tors. theta energy: -28.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -360.063790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.063790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.063790 (E_RNA)
where:
Base-Base interactions energy: -238.328
where: short stacking energy: -100.105
Base-Backbone interact. energy: -0.714
local terms energy: -121.021403
where:
bonds (distance) C4'-P energy: -26.782
bonds (distance) P-C4' energy: -30.894
flat angles C4'-P-C4' energy: -23.923
flat angles P-C4'-P energy: -24.848
tors. eta vs tors. theta energy: -14.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -592.735398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.735398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.735398 (E_RNA)
where:
Base-Base interactions energy: -419.573
where: short stacking energy: -170.052
Base-Backbone interact. energy: -0.817
local terms energy: -172.344885
where:
bonds (distance) C4'-P energy: -29.303
bonds (distance) P-C4' energy: -34.791
flat angles C4'-P-C4' energy: -37.244
flat angles P-C4'-P energy: -25.993
tors. eta vs tors. theta energy: -45.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -572.328373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.328373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.328373 (E_RNA)
where:
Base-Base interactions energy: -406.033
where: short stacking energy: -172.257
Base-Backbone interact. energy: -1.195
local terms energy: -165.099795
where:
bonds (distance) C4'-P energy: -27.100
bonds (distance) P-C4' energy: -37.783
flat angles C4'-P-C4' energy: -27.972
flat angles P-C4'-P energy: -25.094
tors. eta vs tors. theta energy: -47.151
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: 3, replica: 8
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -570.167532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.167532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.167532 (E_RNA)
where:
Base-Base interactions energy: -401.241
where: short stacking energy: -176.718
Base-Backbone interact. energy: -0.734
local terms energy: -168.192749
where:
bonds (distance) C4'-P energy: -32.188
bonds (distance) P-C4' energy: -31.904
flat angles C4'-P-C4' energy: -29.638
flat angles P-C4'-P energy: -24.642
tors. eta vs tors. theta energy: -49.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -550.380893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.380893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.380893 (E_RNA)
where:
Base-Base interactions energy: -376.563
where: short stacking energy: -183.830
Base-Backbone interact. energy: -0.466
local terms energy: -173.352198
where:
bonds (distance) C4'-P energy: -32.972
bonds (distance) P-C4' energy: -28.435
flat angles C4'-P-C4' energy: -38.826
flat angles P-C4'-P energy: -20.408
tors. eta vs tors. theta energy: -52.711
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: 9
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -543.149635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.149635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.149635 (E_RNA)
where:
Base-Base interactions energy: -381.958
where: short stacking energy: -158.310
Base-Backbone interact. energy: -0.249
local terms energy: -160.942755
where:
bonds (distance) C4'-P energy: -32.646
bonds (distance) P-C4' energy: -26.644
flat angles C4'-P-C4' energy: -34.217
flat angles P-C4'-P energy: -22.950
tors. eta vs tors. theta energy: -44.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -544.124903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.124903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.124903 (E_RNA)
where:
Base-Base interactions energy: -396.124
where: short stacking energy: -179.470
Base-Backbone interact. energy: 0.877
local terms energy: -148.877399
where:
bonds (distance) C4'-P energy: -27.590
bonds (distance) P-C4' energy: -31.766
flat angles C4'-P-C4' energy: -27.651
flat angles P-C4'-P energy: -16.598
tors. eta vs tors. theta energy: -45.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -453.104874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.104874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.104874 (E_RNA)
where:
Base-Base interactions energy: -316.038
where: short stacking energy: -143.339
Base-Backbone interact. energy: -0.353
local terms energy: -136.713472
where:
bonds (distance) C4'-P energy: -25.047
bonds (distance) P-C4' energy: -27.608
flat angles C4'-P-C4' energy: -31.432
flat angles P-C4'-P energy: -19.395
tors. eta vs tors. theta energy: -33.231
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: 4
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -427.311959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.311959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.311959 (E_RNA)
where:
Base-Base interactions energy: -300.324
where: short stacking energy: -132.152
Base-Backbone interact. energy: 0.410
local terms energy: -127.397354
where:
bonds (distance) C4'-P energy: -24.174
bonds (distance) P-C4' energy: -33.196
flat angles C4'-P-C4' energy: -26.479
flat angles P-C4'-P energy: -16.714
tors. eta vs tors. theta energy: -26.834
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: 1
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -362.780674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.780674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.780674 (E_RNA)
where:
Base-Base interactions energy: -235.651
where: short stacking energy: -108.037
Base-Backbone interact. energy: 1.259
local terms energy: -128.388093
where:
bonds (distance) C4'-P energy: -28.459
bonds (distance) P-C4' energy: -30.737
flat angles C4'-P-C4' energy: -27.286
flat angles P-C4'-P energy: -20.253
tors. eta vs tors. theta energy: -21.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -346.715828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.715828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.715828 (E_RNA)
where:
Base-Base interactions energy: -218.822
where: short stacking energy: -106.876
Base-Backbone interact. energy: 0.370
local terms energy: -128.263525
where:
bonds (distance) C4'-P energy: -28.083
bonds (distance) P-C4' energy: -32.870
flat angles C4'-P-C4' energy: -32.892
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -20.707
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: 2
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -601.884623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.884623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.884623 (E_RNA)
where:
Base-Base interactions energy: -431.399
where: short stacking energy: -177.691
Base-Backbone interact. energy: -0.488
local terms energy: -169.997328
where:
bonds (distance) C4'-P energy: -33.472
bonds (distance) P-C4' energy: -29.755
flat angles C4'-P-C4' energy: -36.295
flat angles P-C4'-P energy: -26.620
tors. eta vs tors. theta energy: -43.856
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: 7
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -566.441056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.441056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.441056 (E_RNA)
where:
Base-Base interactions energy: -407.536
where: short stacking energy: -162.817
Base-Backbone interact. energy: -0.245
local terms energy: -158.660034
where:
bonds (distance) C4'-P energy: -28.946
bonds (distance) P-C4' energy: -30.297
flat angles C4'-P-C4' energy: -35.417
flat angles P-C4'-P energy: -18.629
tors. eta vs tors. theta energy: -45.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -561.493948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.493948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.493948 (E_RNA)
where:
Base-Base interactions energy: -375.264
where: short stacking energy: -171.915
Base-Backbone interact. energy: -1.535
local terms energy: -184.694452
where:
bonds (distance) C4'-P energy: -35.761
bonds (distance) P-C4' energy: -33.963
flat angles C4'-P-C4' energy: -33.483
flat angles P-C4'-P energy: -27.528
tors. eta vs tors. theta energy: -53.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -532.874118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.874118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.874118 (E_RNA)
where:
Base-Base interactions energy: -366.299
where: short stacking energy: -160.518
Base-Backbone interact. energy: -0.317
local terms energy: -166.258927
where:
bonds (distance) C4'-P energy: -30.518
bonds (distance) P-C4' energy: -30.803
flat angles C4'-P-C4' energy: -34.183
flat angles P-C4'-P energy: -21.386
tors. eta vs tors. theta energy: -49.369
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: 5
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -522.778349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.778349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.778349 (E_RNA)
where:
Base-Base interactions energy: -374.456
where: short stacking energy: -167.829
Base-Backbone interact. energy: -0.785
local terms energy: -147.537257
where:
bonds (distance) C4'-P energy: -21.761
bonds (distance) P-C4' energy: -29.447
flat angles C4'-P-C4' energy: -27.244
flat angles P-C4'-P energy: -24.260
tors. eta vs tors. theta energy: -44.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -513.281752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.281752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.281752 (E_RNA)
where:
Base-Base interactions energy: -357.286
where: short stacking energy: -150.394
Base-Backbone interact. energy: 3.491
local terms energy: -159.486758
where:
bonds (distance) C4'-P energy: -31.585
bonds (distance) P-C4' energy: -23.511
flat angles C4'-P-C4' energy: -33.697
flat angles P-C4'-P energy: -27.737
tors. eta vs tors. theta energy: -42.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -439.996137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.996137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.996137 (E_RNA)
where:
Base-Base interactions energy: -294.886
where: short stacking energy: -130.171
Base-Backbone interact. energy: -0.389
local terms energy: -144.721345
where:
bonds (distance) C4'-P energy: -29.506
bonds (distance) P-C4' energy: -32.553
flat angles C4'-P-C4' energy: -28.499
flat angles P-C4'-P energy: -23.484
tors. eta vs tors. theta energy: -30.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -451.051889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.051889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.051889 (E_RNA)
where:
Base-Base interactions energy: -317.044
where: short stacking energy: -148.600
Base-Backbone interact. energy: -1.411
local terms energy: -132.596909
where:
bonds (distance) C4'-P energy: -22.005
bonds (distance) P-C4' energy: -30.437
flat angles C4'-P-C4' energy: -23.629
flat angles P-C4'-P energy: -19.538
tors. eta vs tors. theta energy: -36.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -345.997643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.997643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.997643 (E_RNA)
where:
Base-Base interactions energy: -212.554
where: short stacking energy: -95.522
Base-Backbone interact. energy: -0.279
local terms energy: -133.165561
where:
bonds (distance) C4'-P energy: -38.473
bonds (distance) P-C4' energy: -26.088
flat angles C4'-P-C4' energy: -26.414
flat angles P-C4'-P energy: -22.781
tors. eta vs tors. theta energy: -19.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -368.589613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.589613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.589613 (E_RNA)
where:
Base-Base interactions energy: -243.223
where: short stacking energy: -126.838
Base-Backbone interact. energy: 1.305
local terms energy: -126.671253
where:
bonds (distance) C4'-P energy: -27.750
bonds (distance) P-C4' energy: -21.830
flat angles C4'-P-C4' energy: -31.821
flat angles P-C4'-P energy: -22.474
tors. eta vs tors. theta energy: -22.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -601.199187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.199187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.199187 (E_RNA)
where:
Base-Base interactions energy: -426.877
where: short stacking energy: -164.921
Base-Backbone interact. energy: -0.039
local terms energy: -174.283222
where:
bonds (distance) C4'-P energy: -30.516
bonds (distance) P-C4' energy: -33.399
flat angles C4'-P-C4' energy: -34.816
flat angles P-C4'-P energy: -27.725
tors. eta vs tors. theta energy: -47.828
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: 437
Temperature: 0.950000
Total energy: -563.115433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.115433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.115433 (E_RNA)
where:
Base-Base interactions energy: -391.946
where: short stacking energy: -158.691
Base-Backbone interact. energy: -1.530
local terms energy: -169.639479
where:
bonds (distance) C4'-P energy: -34.106
bonds (distance) P-C4' energy: -30.705
flat angles C4'-P-C4' energy: -33.728
flat angles P-C4'-P energy: -23.695
tors. eta vs tors. theta energy: -47.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -562.799141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.799141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.799141 (E_RNA)
where:
Base-Base interactions energy: -399.922
where: short stacking energy: -178.338
Base-Backbone interact. energy: -1.264
local terms energy: -161.613725
where:
bonds (distance) C4'-P energy: -27.693
bonds (distance) P-C4' energy: -27.909
flat angles C4'-P-C4' energy: -32.524
flat angles P-C4'-P energy: -24.221
tors. eta vs tors. theta energy: -49.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -548.712422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.712422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.712422 (E_RNA)
where:
Base-Base interactions energy: -388.400
where: short stacking energy: -155.511
Base-Backbone interact. energy: -0.399
local terms energy: -159.913945
where:
bonds (distance) C4'-P energy: -31.642
bonds (distance) P-C4' energy: -28.992
flat angles C4'-P-C4' energy: -34.142
flat angles P-C4'-P energy: -22.096
tors. eta vs tors. theta energy: -43.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -536.588111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.588111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.588111 (E_RNA)
where:
Base-Base interactions energy: -368.407
where: short stacking energy: -164.299
Base-Backbone interact. energy: -0.995
local terms energy: -167.185309
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -33.767
flat angles C4'-P-C4' energy: -30.724
flat angles P-C4'-P energy: -23.329
tors. eta vs tors. theta energy: -47.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -522.639601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.639601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.639601 (E_RNA)
where:
Base-Base interactions energy: -361.483
where: short stacking energy: -158.199
Base-Backbone interact. energy: -0.597
local terms energy: -160.559604
where:
bonds (distance) C4'-P energy: -29.019
bonds (distance) P-C4' energy: -27.975
flat angles C4'-P-C4' energy: -37.451
flat angles P-C4'-P energy: -26.136
tors. eta vs tors. theta energy: -39.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -455.667677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.667677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.667677 (E_RNA)
where:
Base-Base interactions energy: -317.222
where: short stacking energy: -133.598
Base-Backbone interact. energy: 0.317
local terms energy: -138.763425
where:
bonds (distance) C4'-P energy: -34.288
bonds (distance) P-C4' energy: -26.327
flat angles C4'-P-C4' energy: -25.948
flat angles P-C4'-P energy: -19.288
tors. eta vs tors. theta energy: -32.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -445.849479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.849479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.849479 (E_RNA)
where:
Base-Base interactions energy: -308.864
where: short stacking energy: -136.038
Base-Backbone interact. energy: -0.899
local terms energy: -136.086747
where:
bonds (distance) C4'-P energy: -31.370
bonds (distance) P-C4' energy: -23.327
flat angles C4'-P-C4' energy: -29.153
flat angles P-C4'-P energy: -17.190
tors. eta vs tors. theta energy: -35.046
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: 3
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -384.414514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.414514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.414514 (E_RNA)
where:
Base-Base interactions energy: -253.792
where: short stacking energy: -121.431
Base-Backbone interact. energy: 0.602
local terms energy: -131.224154
where:
bonds (distance) C4'-P energy: -19.704
bonds (distance) P-C4' energy: -27.648
flat angles C4'-P-C4' energy: -29.904
flat angles P-C4'-P energy: -19.377
tors. eta vs tors. theta energy: -34.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -301.287429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.287429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.287429 (E_RNA)
where:
Base-Base interactions energy: -192.878
where: short stacking energy: -99.965
Base-Backbone interact. energy: 0.402
local terms energy: -108.810848
where:
bonds (distance) C4'-P energy: -27.192
bonds (distance) P-C4' energy: -25.318
flat angles C4'-P-C4' energy: -23.838
flat angles P-C4'-P energy: -15.900
tors. eta vs tors. theta energy: -16.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -604.984932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.984932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.984932 (E_RNA)
where:
Base-Base interactions energy: -430.971
where: short stacking energy: -167.521
Base-Backbone interact. energy: 2.573
local terms energy: -176.587572
where:
bonds (distance) C4'-P energy: -29.394
bonds (distance) P-C4' energy: -35.982
flat angles C4'-P-C4' energy: -36.543
flat angles P-C4'-P energy: -28.046
tors. eta vs tors. theta energy: -46.622
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: 2, replica: 7
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -557.741939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.741939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.741939 (E_RNA)
where:
Base-Base interactions energy: -378.240
where: short stacking energy: -181.431
Base-Backbone interact. energy: -0.012
local terms energy: -179.490352
where:
bonds (distance) C4'-P energy: -36.015
bonds (distance) P-C4' energy: -36.295
flat angles C4'-P-C4' energy: -37.838
flat angles P-C4'-P energy: -20.798
tors. eta vs tors. theta energy: -48.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -561.367646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.367646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.367646 (E_RNA)
where:
Base-Base interactions energy: -400.369
where: short stacking energy: -175.011
Base-Backbone interact. energy: -0.124
local terms energy: -160.874838
where:
bonds (distance) C4'-P energy: -26.450
bonds (distance) P-C4' energy: -28.350
flat angles C4'-P-C4' energy: -35.696
flat angles P-C4'-P energy: -22.979
tors. eta vs tors. theta energy: -47.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -534.259181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.259181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.259181 (E_RNA)
where:
Base-Base interactions energy: -378.557
where: short stacking energy: -173.937
Base-Backbone interact. energy: 1.979
local terms energy: -157.681100
where:
bonds (distance) C4'-P energy: -28.993
bonds (distance) P-C4' energy: -29.740
flat angles C4'-P-C4' energy: -30.495
flat angles P-C4'-P energy: -17.258
tors. eta vs tors. theta energy: -51.195
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: 6
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -532.186622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.186622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.186622 (E_RNA)
where:
Base-Base interactions energy: -370.884
where: short stacking energy: -170.666
Base-Backbone interact. energy: -0.198
local terms energy: -161.104479
where:
bonds (distance) C4'-P energy: -33.787
bonds (distance) P-C4' energy: -28.344
flat angles C4'-P-C4' energy: -31.235
flat angles P-C4'-P energy: -21.246
tors. eta vs tors. theta energy: -46.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -529.678867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.678867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.678867 (E_RNA)
where:
Base-Base interactions energy: -374.105
where: short stacking energy: -164.437
Base-Backbone interact. energy: -0.126
local terms energy: -155.447976
where:
bonds (distance) C4'-P energy: -24.569
bonds (distance) P-C4' energy: -28.892
flat angles C4'-P-C4' energy: -37.986
flat angles P-C4'-P energy: -16.363
tors. eta vs tors. theta energy: -47.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -444.940786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.940786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.940786 (E_RNA)
where:
Base-Base interactions energy: -286.264
where: short stacking energy: -133.259
Base-Backbone interact. energy: -0.695
local terms energy: -157.981714
where:
bonds (distance) C4'-P energy: -35.612
bonds (distance) P-C4' energy: -32.595
flat angles C4'-P-C4' energy: -28.936
flat angles P-C4'-P energy: -26.947
tors. eta vs tors. theta energy: -33.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -426.713950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.713950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.713950 (E_RNA)
where:
Base-Base interactions energy: -287.821
where: short stacking energy: -124.985
Base-Backbone interact. energy: -1.110
local terms energy: -137.782428
where:
bonds (distance) C4'-P energy: -33.740
bonds (distance) P-C4' energy: -27.972
flat angles C4'-P-C4' energy: -31.250
flat angles P-C4'-P energy: -17.898
tors. eta vs tors. theta energy: -26.922
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: 9, replica: 3
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -376.890659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.890659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.890659 (E_RNA)
where:
Base-Base interactions energy: -255.123
where: short stacking energy: -120.196
Base-Backbone interact. energy: -0.197
local terms energy: -121.570692
where:
bonds (distance) C4'-P energy: -19.560
bonds (distance) P-C4' energy: -28.112
flat angles C4'-P-C4' energy: -30.029
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -30.045
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: 1
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -309.157479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.157479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.157479 (E_RNA)
where:
Base-Base interactions energy: -186.199
where: short stacking energy: -86.146
Base-Backbone interact. energy: -1.807
local terms energy: -121.151459
where:
bonds (distance) C4'-P energy: -32.520
bonds (distance) P-C4' energy: -26.023
flat angles C4'-P-C4' energy: -26.085
flat angles P-C4'-P energy: -21.810
tors. eta vs tors. theta energy: -14.714
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: 2
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -601.972017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.972017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.972017 (E_RNA)
where:
Base-Base interactions energy: -427.083
where: short stacking energy: -169.652
Base-Backbone interact. energy: -0.809
local terms energy: -174.079885
where:
bonds (distance) C4'-P energy: -32.376
bonds (distance) P-C4' energy: -36.151
flat angles C4'-P-C4' energy: -31.044
flat angles P-C4'-P energy: -28.341
tors. eta vs tors. theta energy: -46.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -576.994822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.994822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.994822 (E_RNA)
where:
Base-Base interactions energy: -404.500
where: short stacking energy: -177.019
Base-Backbone interact. energy: -2.146
local terms energy: -170.349437
where:
bonds (distance) C4'-P energy: -28.978
bonds (distance) P-C4' energy: -32.550
flat angles C4'-P-C4' energy: -36.019
flat angles P-C4'-P energy: -21.180
tors. eta vs tors. theta energy: -51.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -562.412809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.412809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.412809 (E_RNA)
where:
Base-Base interactions energy: -388.149
where: short stacking energy: -171.539
Base-Backbone interact. energy: -0.512
local terms energy: -173.751891
where:
bonds (distance) C4'-P energy: -30.480
bonds (distance) P-C4' energy: -36.842
flat angles C4'-P-C4' energy: -35.986
flat angles P-C4'-P energy: -25.284
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: 4, replica: 6
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -532.948683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.948683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.948683 (E_RNA)
where:
Base-Base interactions energy: -369.985
where: short stacking energy: -177.322
Base-Backbone interact. energy: -0.265
local terms energy: -162.699370
where:
bonds (distance) C4'-P energy: -22.250
bonds (distance) P-C4' energy: -29.417
flat angles C4'-P-C4' energy: -35.817
flat angles P-C4'-P energy: -26.980
tors. eta vs tors. theta energy: -48.236
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: 5
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -553.426203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.426203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.426203 (E_RNA)
where:
Base-Base interactions energy: -398.261
where: short stacking energy: -182.796
Base-Backbone interact. energy: -0.441
local terms energy: -154.724127
where:
bonds (distance) C4'-P energy: -23.538
bonds (distance) P-C4' energy: -31.014
flat angles C4'-P-C4' energy: -31.592
flat angles P-C4'-P energy: -19.229
tors. eta vs tors. theta energy: -49.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -525.417927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.417927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.417927 (E_RNA)
where:
Base-Base interactions energy: -367.141
where: short stacking energy: -158.179
Base-Backbone interact. energy: -0.513
local terms energy: -157.763612
where:
bonds (distance) C4'-P energy: -23.407
bonds (distance) P-C4' energy: -32.948
flat angles C4'-P-C4' energy: -31.213
flat angles P-C4'-P energy: -22.011
tors. eta vs tors. theta energy: -48.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -459.574477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.574477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.574477 (E_RNA)
where:
Base-Base interactions energy: -309.360
where: short stacking energy: -140.612
Base-Backbone interact. energy: -1.606
local terms energy: -148.608704
where:
bonds (distance) C4'-P energy: -26.092
bonds (distance) P-C4' energy: -31.944
flat angles C4'-P-C4' energy: -24.029
flat angles P-C4'-P energy: -23.895
tors. eta vs tors. theta energy: -42.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -464.195084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.195084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.195084 (E_RNA)
where:
Base-Base interactions energy: -320.575
where: short stacking energy: -147.541
Base-Backbone interact. energy: -2.676
local terms energy: -140.943991
where:
bonds (distance) C4'-P energy: -26.068
bonds (distance) P-C4' energy: -28.554
flat angles C4'-P-C4' energy: -32.449
flat angles P-C4'-P energy: -24.078
tors. eta vs tors. theta energy: -29.795
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: 3
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -384.164759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.164759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.164759 (E_RNA)
where:
Base-Base interactions energy: -256.741
where: short stacking energy: -123.549
Base-Backbone interact. energy: 0.504
local terms energy: -127.927634
where:
bonds (distance) C4'-P energy: -21.130
bonds (distance) P-C4' energy: -30.047
flat angles C4'-P-C4' energy: -25.804
flat angles P-C4'-P energy: -17.973
tors. eta vs tors. theta energy: -32.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -310.654774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.654774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.654774 (E_RNA)
where:
Base-Base interactions energy: -183.794
where: short stacking energy: -92.108
Base-Backbone interact. energy: 2.064
local terms energy: -128.924528
where:
bonds (distance) C4'-P energy: -32.743
bonds (distance) P-C4' energy: -33.070
flat angles C4'-P-C4' energy: -28.770
flat angles P-C4'-P energy: -21.963
tors. eta vs tors. theta energy: -12.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -597.868098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.868098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.868098 (E_RNA)
where:
Base-Base interactions energy: -427.674
where: short stacking energy: -173.073
Base-Backbone interact. energy: -0.342
local terms energy: -169.851480
where:
bonds (distance) C4'-P energy: -31.657
bonds (distance) P-C4' energy: -33.822
flat angles C4'-P-C4' energy: -35.642
flat angles P-C4'-P energy: -23.800
tors. eta vs tors. theta energy: -44.931
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: 2, replica: 8
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -574.621501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.621501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.621501 (E_RNA)
where:
Base-Base interactions energy: -398.559
where: short stacking energy: -174.245
Base-Backbone interact. energy: -0.664
local terms energy: -175.398722
where:
bonds (distance) C4'-P energy: -32.664
bonds (distance) P-C4' energy: -27.666
flat angles C4'-P-C4' energy: -36.689
flat angles P-C4'-P energy: -24.646
tors. eta vs tors. theta energy: -53.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -567.942326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.942326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.942326 (E_RNA)
where:
Base-Base interactions energy: -394.127
where: short stacking energy: -166.882
Base-Backbone interact. energy: -0.440
local terms energy: -173.374588
where:
bonds (distance) C4'-P energy: -38.784
bonds (distance) P-C4' energy: -31.166
flat angles C4'-P-C4' energy: -38.885
flat angles P-C4'-P energy: -16.142
tors. eta vs tors. theta energy: -48.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -530.449775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.449775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.449775 (E_RNA)
where:
Base-Base interactions energy: -353.869
where: short stacking energy: -166.901
Base-Backbone interact. energy: -0.687
local terms energy: -175.894448
where:
bonds (distance) C4'-P energy: -32.271
bonds (distance) P-C4' energy: -30.732
flat angles C4'-P-C4' energy: -38.863
flat angles P-C4'-P energy: -27.353
tors. eta vs tors. theta energy: -46.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -554.311314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.311314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.311314 (E_RNA)
where:
Base-Base interactions energy: -394.841
where: short stacking energy: -174.579
Base-Backbone interact. energy: 1.395
local terms energy: -160.865400
where:
bonds (distance) C4'-P energy: -23.240
bonds (distance) P-C4' energy: -29.834
flat angles C4'-P-C4' energy: -33.072
flat angles P-C4'-P energy: -25.721
tors. eta vs tors. theta energy: -48.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -498.081567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.081567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.081567 (E_RNA)
where:
Base-Base interactions energy: -352.702
where: short stacking energy: -147.170
Base-Backbone interact. energy: -0.004
local terms energy: -145.375914
where:
bonds (distance) C4'-P energy: -24.208
bonds (distance) P-C4' energy: -32.214
flat angles C4'-P-C4' energy: -31.777
flat angles P-C4'-P energy: -20.206
tors. eta vs tors. theta energy: -36.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -432.372948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.372948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.372948 (E_RNA)
where:
Base-Base interactions energy: -293.465
where: short stacking energy: -150.876
Base-Backbone interact. energy: -0.872
local terms energy: -138.035400
where:
bonds (distance) C4'-P energy: -25.654
bonds (distance) P-C4' energy: -27.406
flat angles C4'-P-C4' energy: -29.869
flat angles P-C4'-P energy: -15.109
tors. eta vs tors. theta energy: -39.998
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: 8, replica: 10
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -435.207707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.207707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.207707 (E_RNA)
where:
Base-Base interactions energy: -299.238
where: short stacking energy: -138.353
Base-Backbone interact. energy: -0.557
local terms energy: -135.412821
where:
bonds (distance) C4'-P energy: -23.040
bonds (distance) P-C4' energy: -23.873
flat angles C4'-P-C4' energy: -28.965
flat angles P-C4'-P energy: -21.248
tors. eta vs tors. theta energy: -38.287
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: 3
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -360.057579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.057579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.057579 (E_RNA)
where:
Base-Base interactions energy: -222.748
where: short stacking energy: -112.572
Base-Backbone interact. energy: -0.589
local terms energy: -136.721185
where:
bonds (distance) C4'-P energy: -19.107
bonds (distance) P-C4' energy: -30.081
flat angles C4'-P-C4' energy: -38.443
flat angles P-C4'-P energy: -21.256
tors. eta vs tors. theta energy: -27.835
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: 1
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -302.606837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.606837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.606837 (E_RNA)
where:
Base-Base interactions energy: -192.007
where: short stacking energy: -99.868
Base-Backbone interact. energy: 3.220
local terms energy: -113.819146
where:
bonds (distance) C4'-P energy: -29.788
bonds (distance) P-C4' energy: -26.288
flat angles C4'-P-C4' energy: -26.230
flat angles P-C4'-P energy: -14.632
tors. eta vs tors. theta energy: -16.882
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: 2
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -604.885173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.885173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.885173 (E_RNA)
where:
Base-Base interactions energy: -427.600
where: short stacking energy: -178.002
Base-Backbone interact. energy: -1.039
local terms energy: -176.246954
where:
bonds (distance) C4'-P energy: -31.923
bonds (distance) P-C4' energy: -34.444
flat angles C4'-P-C4' energy: -36.546
flat angles P-C4'-P energy: -30.756
tors. eta vs tors. theta energy: -42.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -576.812125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.812125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.812125 (E_RNA)
where:
Base-Base interactions energy: -398.859
where: short stacking energy: -169.259
Base-Backbone interact. energy: -0.853
local terms energy: -177.099845
where:
bonds (distance) C4'-P energy: -34.956
bonds (distance) P-C4' energy: -32.344
flat angles C4'-P-C4' energy: -32.560
flat angles P-C4'-P energy: -25.635
tors. eta vs tors. theta energy: -51.605
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: 3, replica: 7
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -560.819000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.819000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.819000 (E_RNA)
where:
Base-Base interactions energy: -396.780
where: short stacking energy: -174.093
Base-Backbone interact. energy: -0.147
local terms energy: -163.891742
where:
bonds (distance) C4'-P energy: -25.940
bonds (distance) P-C4' energy: -33.074
flat angles C4'-P-C4' energy: -32.006
flat angles P-C4'-P energy: -27.339
tors. eta vs tors. theta energy: -45.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -523.169476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.169476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.169476 (E_RNA)
where:
Base-Base interactions energy: -362.341
where: short stacking energy: -165.517
Base-Backbone interact. energy: -0.135
local terms energy: -160.692958
where:
bonds (distance) C4'-P energy: -27.426
bonds (distance) P-C4' energy: -35.216
flat angles C4'-P-C4' energy: -32.335
flat angles P-C4'-P energy: -19.775
tors. eta vs tors. theta energy: -45.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -522.266715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.266715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.266715 (E_RNA)
where:
Base-Base interactions energy: -357.481
where: short stacking energy: -169.097
Base-Backbone interact. energy: -0.490
local terms energy: -164.295183
where:
bonds (distance) C4'-P energy: -28.904
bonds (distance) P-C4' energy: -32.409
flat angles C4'-P-C4' energy: -32.536
flat angles P-C4'-P energy: -23.806
tors. eta vs tors. theta energy: -46.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -523.412343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.412343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.412343 (E_RNA)
where:
Base-Base interactions energy: -377.320
where: short stacking energy: -164.328
Base-Backbone interact. energy: 0.147
local terms energy: -146.239127
where:
bonds (distance) C4'-P energy: -26.996
bonds (distance) P-C4' energy: -25.437
flat angles C4'-P-C4' energy: -21.143
flat angles P-C4'-P energy: -25.769
tors. eta vs tors. theta energy: -46.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -465.886028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.886028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.886028 (E_RNA)
where:
Base-Base interactions energy: -326.064
where: short stacking energy: -142.241
Base-Backbone interact. energy: -0.063
local terms energy: -139.758511
where:
bonds (distance) C4'-P energy: -21.930
bonds (distance) P-C4' energy: -30.922
flat angles C4'-P-C4' energy: -30.413
flat angles P-C4'-P energy: -17.070
tors. eta vs tors. theta energy: -39.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -425.357861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.357861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.357861 (E_RNA)
where:
Base-Base interactions energy: -292.424
where: short stacking energy: -131.097
Base-Backbone interact. energy: -0.304
local terms energy: -132.629418
where:
bonds (distance) C4'-P energy: -20.375
bonds (distance) P-C4' energy: -26.003
flat angles C4'-P-C4' energy: -32.062
flat angles P-C4'-P energy: -24.155
tors. eta vs tors. theta energy: -30.034
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: 3
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -356.189544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.189544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.189544 (E_RNA)
where:
Base-Base interactions energy: -218.936
where: short stacking energy: -113.337
Base-Backbone interact. energy: -0.649
local terms energy: -136.604515
where:
bonds (distance) C4'-P energy: -26.054
bonds (distance) P-C4' energy: -33.957
flat angles C4'-P-C4' energy: -32.344
flat angles P-C4'-P energy: -17.117
tors. eta vs tors. theta energy: -27.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -292.024628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.024628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.024628 (E_RNA)
where:
Base-Base interactions energy: -179.143
where: short stacking energy: -84.709
Base-Backbone interact. energy: -0.280
local terms energy: -112.601557
where:
bonds (distance) C4'-P energy: -21.361
bonds (distance) P-C4' energy: -29.033
flat angles C4'-P-C4' energy: -29.753
flat angles P-C4'-P energy: -19.302
tors. eta vs tors. theta energy: -13.153
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: 2
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -594.864516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.864516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.864516 (E_RNA)
where:
Base-Base interactions energy: -422.608
where: short stacking energy: -168.945
Base-Backbone interact. energy: -1.062
local terms energy: -171.193904
where:
bonds (distance) C4'-P energy: -30.588
bonds (distance) P-C4' energy: -37.516
flat angles C4'-P-C4' energy: -36.326
flat angles P-C4'-P energy: -23.345
tors. eta vs tors. theta energy: -43.419
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: 8
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -565.006728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.006728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.006728 (E_RNA)
where:
Base-Base interactions energy: -396.865
where: short stacking energy: -171.992
Base-Backbone interact. energy: -0.003
local terms energy: -168.138929
where:
bonds (distance) C4'-P energy: -30.625
bonds (distance) P-C4' energy: -33.263
flat angles C4'-P-C4' energy: -34.470
flat angles P-C4'-P energy: -22.010
tors. eta vs tors. theta energy: -47.772
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: 3, replica: 5
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -552.600965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.600965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.600965 (E_RNA)
where:
Base-Base interactions energy: -385.915
where: short stacking energy: -171.969
Base-Backbone interact. energy: -0.179
local terms energy: -166.507287
where:
bonds (distance) C4'-P energy: -29.855
bonds (distance) P-C4' energy: -30.606
flat angles C4'-P-C4' energy: -36.859
flat angles P-C4'-P energy: -20.131
tors. eta vs tors. theta energy: -49.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -557.358371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.358371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.358371 (E_RNA)
where:
Base-Base interactions energy: -382.551
where: short stacking energy: -168.176
Base-Backbone interact. energy: -0.873
local terms energy: -173.934897
where:
bonds (distance) C4'-P energy: -30.656
bonds (distance) P-C4' energy: -34.183
flat angles C4'-P-C4' energy: -33.860
flat angles P-C4'-P energy: -29.708
tors. eta vs tors. theta energy: -45.527
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: 5, replica: 6
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -539.252877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.252877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.252877 (E_RNA)
where:
Base-Base interactions energy: -363.577
where: short stacking energy: -165.638
Base-Backbone interact. energy: -0.053
local terms energy: -175.623366
where:
bonds (distance) C4'-P energy: -36.186
bonds (distance) P-C4' energy: -31.052
flat angles C4'-P-C4' energy: -39.429
flat angles P-C4'-P energy: -24.474
tors. eta vs tors. theta energy: -44.482
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: 6, replica: 9
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -513.703683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.703683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.703683 (E_RNA)
where:
Base-Base interactions energy: -361.458
where: short stacking energy: -145.863
Base-Backbone interact. energy: 2.839
local terms energy: -155.085033
where:
bonds (distance) C4'-P energy: -27.708
bonds (distance) P-C4' energy: -29.391
flat angles C4'-P-C4' energy: -28.502
flat angles P-C4'-P energy: -24.060
tors. eta vs tors. theta energy: -45.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -451.346057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.346057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.346057 (E_RNA)
where:
Base-Base interactions energy: -312.892
where: short stacking energy: -141.788
Base-Backbone interact. energy: -0.310
local terms energy: -138.144603
where:
bonds (distance) C4'-P energy: -23.373
bonds (distance) P-C4' energy: -26.178
flat angles C4'-P-C4' energy: -36.452
flat angles P-C4'-P energy: -22.544
tors. eta vs tors. theta energy: -29.597
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: 8, replica: 10
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -429.324784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.324784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.324784 (E_RNA)
where:
Base-Base interactions energy: -285.735
where: short stacking energy: -136.766
Base-Backbone interact. energy: 2.660
local terms energy: -146.250007
where:
bonds (distance) C4'-P energy: -32.043
bonds (distance) P-C4' energy: -30.526
flat angles C4'-P-C4' energy: -32.099
flat angles P-C4'-P energy: -21.292
tors. eta vs tors. theta energy: -30.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -350.390945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.390945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.390945 (E_RNA)
where:
Base-Base interactions energy: -220.943
where: short stacking energy: -102.789
Base-Backbone interact. energy: -0.301
local terms energy: -129.146369
where:
bonds (distance) C4'-P energy: -29.079
bonds (distance) P-C4' energy: -31.221
flat angles C4'-P-C4' energy: -27.325
flat angles P-C4'-P energy: -22.267
tors. eta vs tors. theta energy: -19.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -325.808831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.808831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.808831 (E_RNA)
where:
Base-Base interactions energy: -204.375
where: short stacking energy: -101.610
Base-Backbone interact. energy: -0.273
local terms energy: -121.160705
where:
bonds (distance) C4'-P energy: -20.078
bonds (distance) P-C4' energy: -26.114
flat angles C4'-P-C4' energy: -30.633
flat angles P-C4'-P energy: -24.195
tors. eta vs tors. theta energy: -20.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -601.969532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.969532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.969532 (E_RNA)
where:
Base-Base interactions energy: -420.928
where: short stacking energy: -171.909
Base-Backbone interact. energy: 0.547
local terms energy: -181.588278
where:
bonds (distance) C4'-P energy: -31.776
bonds (distance) P-C4' energy: -33.331
flat angles C4'-P-C4' energy: -42.318
flat angles P-C4'-P energy: -29.215
tors. eta vs tors. theta energy: -44.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -575.858119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.858119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.858119 (E_RNA)
where:
Base-Base interactions energy: -411.557
where: short stacking energy: -162.414
Base-Backbone interact. energy: -1.055
local terms energy: -163.246412
where:
bonds (distance) C4'-P energy: -27.742
bonds (distance) P-C4' energy: -33.911
flat angles C4'-P-C4' energy: -32.676
flat angles P-C4'-P energy: -19.575
tors. eta vs tors. theta energy: -49.343
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: 5
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -561.825260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.825260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.825260 (E_RNA)
where:
Base-Base interactions energy: -390.222
where: short stacking energy: -169.290
Base-Backbone interact. energy: -0.024
local terms energy: -171.579394
where:
bonds (distance) C4'-P energy: -31.549
bonds (distance) P-C4' energy: -32.561
flat angles C4'-P-C4' energy: -30.738
flat angles P-C4'-P energy: -27.216
tors. eta vs tors. theta energy: -49.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -527.377194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.377194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.377194 (E_RNA)
where:
Base-Base interactions energy: -362.488
where: short stacking energy: -157.542
Base-Backbone interact. energy: -1.483
local terms energy: -163.406088
where:
bonds (distance) C4'-P energy: -26.524
bonds (distance) P-C4' energy: -27.832
flat angles C4'-P-C4' energy: -36.645
flat angles P-C4'-P energy: -27.017
tors. eta vs tors. theta energy: -45.388
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: 7
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -530.766402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.766402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.766402 (E_RNA)
where:
Base-Base interactions energy: -370.055
where: short stacking energy: -152.422
Base-Backbone interact. energy: -0.352
local terms energy: -160.359133
where:
bonds (distance) C4'-P energy: -33.600
bonds (distance) P-C4' energy: -32.901
flat angles C4'-P-C4' energy: -33.844
flat angles P-C4'-P energy: -21.309
tors. eta vs tors. theta energy: -38.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -515.994881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.994881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.994881 (E_RNA)
where:
Base-Base interactions energy: -365.217
where: short stacking energy: -160.181
Base-Backbone interact. energy: -0.230
local terms energy: -150.548624
where:
bonds (distance) C4'-P energy: -29.132
bonds (distance) P-C4' energy: -27.101
flat angles C4'-P-C4' energy: -32.677
flat angles P-C4'-P energy: -18.510
tors. eta vs tors. theta energy: -43.128
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: 4
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -431.744656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.744656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.744656 (E_RNA)
where:
Base-Base interactions energy: -299.620
where: short stacking energy: -122.386
Base-Backbone interact. energy: -1.573
local terms energy: -130.552188
where:
bonds (distance) C4'-P energy: -29.200
bonds (distance) P-C4' energy: -25.137
flat angles C4'-P-C4' energy: -29.393
flat angles P-C4'-P energy: -18.957
tors. eta vs tors. theta energy: -27.866
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: 443
Temperature: 1.250000
Total energy: -411.185533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.185533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.185533 (E_RNA)
where:
Base-Base interactions energy: -282.011
where: short stacking energy: -113.000
Base-Backbone interact. energy: -0.111
local terms energy: -129.063374
where:
bonds (distance) C4'-P energy: -22.704
bonds (distance) P-C4' energy: -26.981
flat angles C4'-P-C4' energy: -27.796
flat angles P-C4'-P energy: -20.510
tors. eta vs tors. theta energy: -31.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -356.004125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.004125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.004125 (E_RNA)
where:
Base-Base interactions energy: -222.479
where: short stacking energy: -104.816
Base-Backbone interact. energy: -0.307
local terms energy: -133.217956
where:
bonds (distance) C4'-P energy: -29.292
bonds (distance) P-C4' energy: -34.401
flat angles C4'-P-C4' energy: -28.171
flat angles P-C4'-P energy: -17.889
tors. eta vs tors. theta energy: -23.466
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: 1
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -350.536828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.536828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.536828 (E_RNA)
where:
Base-Base interactions energy: -241.156
where: short stacking energy: -108.268
Base-Backbone interact. energy: -0.488
local terms energy: -108.893396
where:
bonds (distance) C4'-P energy: -27.978
bonds (distance) P-C4' energy: -20.667
flat angles C4'-P-C4' energy: -23.530
flat angles P-C4'-P energy: -17.434
tors. eta vs tors. theta energy: -19.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -595.180641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.180641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.180641 (E_RNA)
where:
Base-Base interactions energy: -423.104
where: short stacking energy: -162.044
Base-Backbone interact. energy: 0.611
local terms energy: -172.687645
where:
bonds (distance) C4'-P energy: -31.489
bonds (distance) P-C4' energy: -35.344
flat angles C4'-P-C4' energy: -37.423
flat angles P-C4'-P energy: -25.830
tors. eta vs tors. theta energy: -42.601
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: 8
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -578.985147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.985147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.985147 (E_RNA)
where:
Base-Base interactions energy: -403.765
where: short stacking energy: -184.284
Base-Backbone interact. energy: -2.273
local terms energy: -172.947492
where:
bonds (distance) C4'-P energy: -29.132
bonds (distance) P-C4' energy: -30.599
flat angles C4'-P-C4' energy: -33.030
flat angles P-C4'-P energy: -27.706
tors. eta vs tors. theta energy: -52.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -560.021120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.021120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.021120 (E_RNA)
where:
Base-Base interactions energy: -386.532
where: short stacking energy: -165.346
Base-Backbone interact. energy: -2.251
local terms energy: -171.238567
where:
bonds (distance) C4'-P energy: -30.136
bonds (distance) P-C4' energy: -36.291
flat angles C4'-P-C4' energy: -32.532
flat angles P-C4'-P energy: -23.702
tors. eta vs tors. theta energy: -48.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -536.792335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.792335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.792335 (E_RNA)
where:
Base-Base interactions energy: -354.628
where: short stacking energy: -172.538
Base-Backbone interact. energy: -0.820
local terms energy: -181.344418
where:
bonds (distance) C4'-P energy: -33.103
bonds (distance) P-C4' energy: -32.609
flat angles C4'-P-C4' energy: -38.163
flat angles P-C4'-P energy: -23.393
tors. eta vs tors. theta energy: -54.076
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: 5, replica: 7
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -520.638304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.638304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.638304 (E_RNA)
where:
Base-Base interactions energy: -358.564
where: short stacking energy: -163.766
Base-Backbone interact. energy: -0.842
local terms energy: -161.232448
where:
bonds (distance) C4'-P energy: -26.942
bonds (distance) P-C4' energy: -35.428
flat angles C4'-P-C4' energy: -32.023
flat angles P-C4'-P energy: -23.340
tors. eta vs tors. theta energy: -43.499
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: 9
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -510.690709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.690709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.690709 (E_RNA)
where:
Base-Base interactions energy: -348.688
where: short stacking energy: -133.468
Base-Backbone interact. energy: -0.685
local terms energy: -161.317865
where:
bonds (distance) C4'-P energy: -36.810
bonds (distance) P-C4' energy: -24.206
flat angles C4'-P-C4' energy: -34.596
flat angles P-C4'-P energy: -25.866
tors. eta vs tors. theta energy: -39.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -429.556480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.556480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.556480 (E_RNA)
where:
Base-Base interactions energy: -296.040
where: short stacking energy: -128.880
Base-Backbone interact. energy: -0.242
local terms energy: -133.273719
where:
bonds (distance) C4'-P energy: -29.199
bonds (distance) P-C4' energy: -28.570
flat angles C4'-P-C4' energy: -25.287
flat angles P-C4'-P energy: -16.821
tors. eta vs tors. theta energy: -33.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -454.689519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.689519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.689519 (E_RNA)
where:
Base-Base interactions energy: -312.544
where: short stacking energy: -148.175
Base-Backbone interact. energy: -0.018
local terms energy: -142.128057
where:
bonds (distance) C4'-P energy: -29.060
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -30.418
flat angles P-C4'-P energy: -25.557
tors. eta vs tors. theta energy: -39.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -377.335533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.335533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.335533 (E_RNA)
where:
Base-Base interactions energy: -256.458
where: short stacking energy: -118.898
Base-Backbone interact. energy: -0.280
local terms energy: -120.597225
where:
bonds (distance) C4'-P energy: -26.714
bonds (distance) P-C4' energy: -25.872
flat angles C4'-P-C4' energy: -25.408
flat angles P-C4'-P energy: -16.419
tors. eta vs tors. theta energy: -26.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -329.852751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.852751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.852751 (E_RNA)
where:
Base-Base interactions energy: -238.384
where: short stacking energy: -116.542
Base-Backbone interact. energy: -0.154
local terms energy: -91.314253
where:
bonds (distance) C4'-P energy: -8.975
bonds (distance) P-C4' energy: -26.312
flat angles C4'-P-C4' energy: -20.147
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: -29.075
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: 2
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -603.658713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.658713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.658713 (E_RNA)
where:
Base-Base interactions energy: -421.868
where: short stacking energy: -173.340
Base-Backbone interact. energy: -1.840
local terms energy: -179.950277
where:
bonds (distance) C4'-P energy: -31.998
bonds (distance) P-C4' energy: -38.761
flat angles C4'-P-C4' energy: -36.516
flat angles P-C4'-P energy: -26.379
tors. eta vs tors. theta energy: -46.295
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: 5
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -570.072865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.072865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.072865 (E_RNA)
where:
Base-Base interactions energy: -408.821
where: short stacking energy: -183.743
Base-Backbone interact. energy: 0.478
local terms energy: -161.729693
where:
bonds (distance) C4'-P energy: -31.817
bonds (distance) P-C4' energy: -29.842
flat angles C4'-P-C4' energy: -32.028
flat angles P-C4'-P energy: -17.383
tors. eta vs tors. theta energy: -50.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -566.239740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.239740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.239740 (E_RNA)
where:
Base-Base interactions energy: -400.333
where: short stacking energy: -170.285
Base-Backbone interact. energy: 1.891
local terms energy: -167.798153
where:
bonds (distance) C4'-P energy: -29.661
bonds (distance) P-C4' energy: -34.657
flat angles C4'-P-C4' energy: -35.111
flat angles P-C4'-P energy: -19.550
tors. eta vs tors. theta energy: -48.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -537.802076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.802076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.802076 (E_RNA)
where:
Base-Base interactions energy: -382.003
where: short stacking energy: -145.469
Base-Backbone interact. energy: -0.828
local terms energy: -154.971173
where:
bonds (distance) C4'-P energy: -34.573
bonds (distance) P-C4' energy: -29.388
flat angles C4'-P-C4' energy: -37.457
flat angles P-C4'-P energy: -17.556
tors. eta vs tors. theta energy: -35.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -532.303050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.303050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.303050 (E_RNA)
where:
Base-Base interactions energy: -365.808
where: short stacking energy: -169.854
Base-Backbone interact. energy: -0.107
local terms energy: -166.387867
where:
bonds (distance) C4'-P energy: -28.689
bonds (distance) P-C4' energy: -35.641
flat angles C4'-P-C4' energy: -36.466
flat angles P-C4'-P energy: -16.986
tors. eta vs tors. theta energy: -48.605
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: 6, replica: 9
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -477.194999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.194999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.194999 (E_RNA)
where:
Base-Base interactions energy: -332.268
where: short stacking energy: -137.516
Base-Backbone interact. energy: -0.166
local terms energy: -144.760664
where:
bonds (distance) C4'-P energy: -24.301
bonds (distance) P-C4' energy: -27.084
flat angles C4'-P-C4' energy: -34.726
flat angles P-C4'-P energy: -20.293
tors. eta vs tors. theta energy: -38.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -446.587035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.587035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.587035 (E_RNA)
where:
Base-Base interactions energy: -298.916
where: short stacking energy: -134.632
Base-Backbone interact. energy: -0.695
local terms energy: -146.976445
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -32.478
flat angles C4'-P-C4' energy: -32.214
flat angles P-C4'-P energy: -18.938
tors. eta vs tors. theta energy: -32.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -449.112843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.112843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.112843 (E_RNA)
where:
Base-Base interactions energy: -307.720
where: short stacking energy: -137.446
Base-Backbone interact. energy: -0.023
local terms energy: -141.370021
where:
bonds (distance) C4'-P energy: -24.401
bonds (distance) P-C4' energy: -28.547
flat angles C4'-P-C4' energy: -31.688
flat angles P-C4'-P energy: -20.897
tors. eta vs tors. theta energy: -35.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -381.468871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.468871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.468871 (E_RNA)
where:
Base-Base interactions energy: -258.560
where: short stacking energy: -113.231
Base-Backbone interact. energy: 0.079
local terms energy: -122.987936
where:
bonds (distance) C4'-P energy: -25.826
bonds (distance) P-C4' energy: -22.912
flat angles C4'-P-C4' energy: -31.490
flat angles P-C4'-P energy: -22.151
tors. eta vs tors. theta energy: -20.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -318.130116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.130116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.130116 (E_RNA)
where:
Base-Base interactions energy: -197.702
where: short stacking energy: -92.573
Base-Backbone interact. energy: -0.958
local terms energy: -119.470284
where:
bonds (distance) C4'-P energy: -30.440
bonds (distance) P-C4' energy: -30.203
flat angles C4'-P-C4' energy: -23.872
flat angles P-C4'-P energy: -16.347
tors. eta vs tors. theta energy: -18.608
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: 2
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -589.543430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.543430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.543430 (E_RNA)
where:
Base-Base interactions energy: -420.533
where: short stacking energy: -172.850
Base-Backbone interact. energy: -0.001
local terms energy: -169.009485
where:
bonds (distance) C4'-P energy: -28.935
bonds (distance) P-C4' energy: -30.128
flat angles C4'-P-C4' energy: -39.568
flat angles P-C4'-P energy: -23.408
tors. eta vs tors. theta energy: -46.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -576.121673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.121673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.121673 (E_RNA)
where:
Base-Base interactions energy: -399.669
where: short stacking energy: -175.827
Base-Backbone interact. energy: -0.498
local terms energy: -175.954777
where:
bonds (distance) C4'-P energy: -39.834
bonds (distance) P-C4' energy: -28.438
flat angles C4'-P-C4' energy: -33.900
flat angles P-C4'-P energy: -25.768
tors. eta vs tors. theta energy: -48.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -573.398024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.398024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.398024 (E_RNA)
where:
Base-Base interactions energy: -406.625
where: short stacking energy: -174.473
Base-Backbone interact. energy: 0.316
local terms energy: -167.089762
where:
bonds (distance) C4'-P energy: -32.469
bonds (distance) P-C4' energy: -27.506
flat angles C4'-P-C4' energy: -32.876
flat angles P-C4'-P energy: -23.454
tors. eta vs tors. theta energy: -50.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -536.076211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.076211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.076211 (E_RNA)
where:
Base-Base interactions energy: -371.949
where: short stacking energy: -162.821
Base-Backbone interact. energy: -0.541
local terms energy: -163.586369
where:
bonds (distance) C4'-P energy: -28.159
bonds (distance) P-C4' energy: -36.348
flat angles C4'-P-C4' energy: -34.093
flat angles P-C4'-P energy: -20.055
tors. eta vs tors. theta energy: -44.931
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: 5, replica: 6
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -519.388962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.388962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.388962 (E_RNA)
where:
Base-Base interactions energy: -345.401
where: short stacking energy: -159.333
Base-Backbone interact. energy: -0.141
local terms energy: -173.846761
where:
bonds (distance) C4'-P energy: -30.338
bonds (distance) P-C4' energy: -29.632
flat angles C4'-P-C4' energy: -36.157
flat angles P-C4'-P energy: -26.771
tors. eta vs tors. theta energy: -50.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -515.943155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.943155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.943155 (E_RNA)
where:
Base-Base interactions energy: -354.888
where: short stacking energy: -152.387
Base-Backbone interact. energy: -0.563
local terms energy: -160.492566
where:
bonds (distance) C4'-P energy: -29.755
bonds (distance) P-C4' energy: -34.204
flat angles C4'-P-C4' energy: -30.449
flat angles P-C4'-P energy: -17.720
tors. eta vs tors. theta energy: -48.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -447.251777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.251777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.251777 (E_RNA)
where:
Base-Base interactions energy: -300.879
where: short stacking energy: -143.730
Base-Backbone interact. energy: -0.120
local terms energy: -146.252954
where:
bonds (distance) C4'-P energy: -25.102
bonds (distance) P-C4' energy: -32.753
flat angles C4'-P-C4' energy: -29.715
flat angles P-C4'-P energy: -18.075
tors. eta vs tors. theta energy: -40.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -413.970933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.970933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.970933 (E_RNA)
where:
Base-Base interactions energy: -293.403
where: short stacking energy: -134.885
Base-Backbone interact. energy: -0.120
local terms energy: -120.448151
where:
bonds (distance) C4'-P energy: -22.790
bonds (distance) P-C4' energy: -23.051
flat angles C4'-P-C4' energy: -20.523
flat angles P-C4'-P energy: -22.630
tors. eta vs tors. theta energy: -31.454
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: 1
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -351.198929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.198929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.198929 (E_RNA)
where:
Base-Base interactions energy: -231.175
where: short stacking energy: -105.156
Base-Backbone interact. energy: -0.460
local terms energy: -119.564097
where:
bonds (distance) C4'-P energy: -24.150
bonds (distance) P-C4' energy: -26.493
flat angles C4'-P-C4' energy: -28.688
flat angles P-C4'-P energy: -21.990
tors. eta vs tors. theta energy: -18.243
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: 3
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -320.602812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.602812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.602812 (E_RNA)
where:
Base-Base interactions energy: -192.538
where: short stacking energy: -101.291
Base-Backbone interact. energy: -0.639
local terms energy: -127.426208
where:
bonds (distance) C4'-P energy: -22.082
bonds (distance) P-C4' energy: -28.846
flat angles C4'-P-C4' energy: -32.771
flat angles P-C4'-P energy: -23.958
tors. eta vs tors. theta energy: -19.769
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: 2
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -601.451934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.451934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.451934 (E_RNA)
where:
Base-Base interactions energy: -435.837
where: short stacking energy: -173.835
Base-Backbone interact. energy: -0.178
local terms energy: -165.437491
where:
bonds (distance) C4'-P energy: -22.720
bonds (distance) P-C4' energy: -35.663
flat angles C4'-P-C4' energy: -41.803
flat angles P-C4'-P energy: -17.550
tors. eta vs tors. theta energy: -47.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -576.899179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.899179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.899179 (E_RNA)
where:
Base-Base interactions energy: -406.170
where: short stacking energy: -180.456
Base-Backbone interact. energy: -0.258
local terms energy: -170.470986
where:
bonds (distance) C4'-P energy: -31.179
bonds (distance) P-C4' energy: -37.078
flat angles C4'-P-C4' energy: -30.315
flat angles P-C4'-P energy: -21.619
tors. eta vs tors. theta energy: -50.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -566.255771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.255771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.255771 (E_RNA)
where:
Base-Base interactions energy: -403.739
where: short stacking energy: -178.259
Base-Backbone interact. energy: -0.834
local terms energy: -161.682533
where:
bonds (distance) C4'-P energy: -22.236
bonds (distance) P-C4' energy: -31.701
flat angles C4'-P-C4' energy: -37.246
flat angles P-C4'-P energy: -24.516
tors. eta vs tors. theta energy: -45.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -542.258817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.258817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.258817 (E_RNA)
where:
Base-Base interactions energy: -382.482
where: short stacking energy: -145.859
Base-Backbone interact. energy: -0.559
local terms energy: -159.217771
where:
bonds (distance) C4'-P energy: -33.374
bonds (distance) P-C4' energy: -33.751
flat angles C4'-P-C4' energy: -29.161
flat angles P-C4'-P energy: -26.783
tors. eta vs tors. theta energy: -36.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -528.525696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.525696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.525696 (E_RNA)
where:
Base-Base interactions energy: -364.393
where: short stacking energy: -167.827
Base-Backbone interact. energy: -0.439
local terms energy: -163.693379
where:
bonds (distance) C4'-P energy: -28.914
bonds (distance) P-C4' energy: -33.925
flat angles C4'-P-C4' energy: -33.139
flat angles P-C4'-P energy: -18.107
tors. eta vs tors. theta energy: -49.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -542.207124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.207124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.207124 (E_RNA)
where:
Base-Base interactions energy: -377.714
where: short stacking energy: -153.026
Base-Backbone interact. energy: -0.518
local terms energy: -163.975292
where:
bonds (distance) C4'-P energy: -30.521
bonds (distance) P-C4' energy: -24.754
flat angles C4'-P-C4' energy: -37.471
flat angles P-C4'-P energy: -23.907
tors. eta vs tors. theta energy: -47.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -449.746183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.746183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.746183 (E_RNA)
where:
Base-Base interactions energy: -308.455
where: short stacking energy: -147.371
Base-Backbone interact. energy: -1.613
local terms energy: -139.677566
where:
bonds (distance) C4'-P energy: -27.523
bonds (distance) P-C4' energy: -26.126
flat angles C4'-P-C4' energy: -27.360
flat angles P-C4'-P energy: -21.683
tors. eta vs tors. theta energy: -36.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -413.613597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.613597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.613597 (E_RNA)
where:
Base-Base interactions energy: -284.928
where: short stacking energy: -121.198
Base-Backbone interact. energy: 0.318
local terms energy: -129.003140
where:
bonds (distance) C4'-P energy: -34.299
bonds (distance) P-C4' energy: -30.031
flat angles C4'-P-C4' energy: -31.795
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -22.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -367.732758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.732758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.732758 (E_RNA)
where:
Base-Base interactions energy: -250.757
where: short stacking energy: -118.577
Base-Backbone interact. energy: 1.569
local terms energy: -118.545456
where:
bonds (distance) C4'-P energy: -28.955
bonds (distance) P-C4' energy: -24.855
flat angles C4'-P-C4' energy: -30.240
flat angles P-C4'-P energy: -6.513
tors. eta vs tors. theta energy: -27.982
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: 10, replica: 3
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -311.013248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.013248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.013248 (E_RNA)
where:
Base-Base interactions energy: -190.633
where: short stacking energy: -97.200
Base-Backbone interact. energy: -0.152
local terms energy: -120.229104
where:
bonds (distance) C4'-P energy: -18.439
bonds (distance) P-C4' energy: -29.234
flat angles C4'-P-C4' energy: -35.144
flat angles P-C4'-P energy: -19.256
tors. eta vs tors. theta energy: -18.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -594.706920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.706920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.706920 (E_RNA)
where:
Base-Base interactions energy: -427.774
where: short stacking energy: -170.761
Base-Backbone interact. energy: 0.646
local terms energy: -167.578381
where:
bonds (distance) C4'-P energy: -36.096
bonds (distance) P-C4' energy: -28.342
flat angles C4'-P-C4' energy: -35.994
flat angles P-C4'-P energy: -24.343
tors. eta vs tors. theta energy: -42.803
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: 5
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -570.519513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.519513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.519513 (E_RNA)
where:
Base-Base interactions energy: -400.469
where: short stacking energy: -173.079
Base-Backbone interact. energy: 0.753
local terms energy: -170.803625
where:
bonds (distance) C4'-P energy: -27.197
bonds (distance) P-C4' energy: -34.594
flat angles C4'-P-C4' energy: -39.917
flat angles P-C4'-P energy: -23.904
tors. eta vs tors. theta energy: -45.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -567.219456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.219456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.219456 (E_RNA)
where:
Base-Base interactions energy: -394.553
where: short stacking energy: -174.929
Base-Backbone interact. energy: 0.464
local terms energy: -173.131043
where:
bonds (distance) C4'-P energy: -27.360
bonds (distance) P-C4' energy: -31.799
flat angles C4'-P-C4' energy: -39.373
flat angles P-C4'-P energy: -22.666
tors. eta vs tors. theta energy: -51.932
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: 7
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -536.773277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.773277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.773277 (E_RNA)
where:
Base-Base interactions energy: -387.305
where: short stacking energy: -160.114
Base-Backbone interact. energy: -1.236
local terms energy: -148.232575
where:
bonds (distance) C4'-P energy: -27.987
bonds (distance) P-C4' energy: -26.294
flat angles C4'-P-C4' energy: -32.096
flat angles P-C4'-P energy: -21.144
tors. eta vs tors. theta energy: -40.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -524.103725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.103725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.103725 (E_RNA)
where:
Base-Base interactions energy: -358.213
where: short stacking energy: -158.087
Base-Backbone interact. energy: -0.718
local terms energy: -165.172548
where:
bonds (distance) C4'-P energy: -33.303
bonds (distance) P-C4' energy: -30.230
flat angles C4'-P-C4' energy: -34.468
flat angles P-C4'-P energy: -26.528
tors. eta vs tors. theta energy: -40.644
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: 9
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -500.083945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.083945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.083945 (E_RNA)
where:
Base-Base interactions energy: -350.002
where: short stacking energy: -146.692
Base-Backbone interact. energy: -0.955
local terms energy: -149.126900
where:
bonds (distance) C4'-P energy: -25.569
bonds (distance) P-C4' energy: -32.427
flat angles C4'-P-C4' energy: -36.006
flat angles P-C4'-P energy: -16.807
tors. eta vs tors. theta energy: -38.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -441.369131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.369131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.369131 (E_RNA)
where:
Base-Base interactions energy: -313.296
where: short stacking energy: -130.835
Base-Backbone interact. energy: -0.219
local terms energy: -127.854381
where:
bonds (distance) C4'-P energy: -28.689
bonds (distance) P-C4' energy: -23.048
flat angles C4'-P-C4' energy: -28.945
flat angles P-C4'-P energy: -20.104
tors. eta vs tors. theta energy: -27.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -417.172686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.172686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.172686 (E_RNA)
where:
Base-Base interactions energy: -289.658
where: short stacking energy: -134.080
Base-Backbone interact. energy: -0.683
local terms energy: -126.831864
where:
bonds (distance) C4'-P energy: -22.042
bonds (distance) P-C4' energy: -28.810
flat angles C4'-P-C4' energy: -24.571
flat angles P-C4'-P energy: -23.274
tors. eta vs tors. theta energy: -28.135
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: 1
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -372.102384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.102384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.102384 (E_RNA)
where:
Base-Base interactions energy: -238.748
where: short stacking energy: -108.148
Base-Backbone interact. energy: 2.684
local terms energy: -136.038192
where:
bonds (distance) C4'-P energy: -30.540
bonds (distance) P-C4' energy: -36.782
flat angles C4'-P-C4' energy: -29.022
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: -26.332
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: 3
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -283.418934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.418934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.418934 (E_RNA)
where:
Base-Base interactions energy: -189.107
where: short stacking energy: -108.884
Base-Backbone interact. energy: -0.945
local terms energy: -93.366657
where:
bonds (distance) C4'-P energy: -18.899
bonds (distance) P-C4' energy: -21.457
flat angles C4'-P-C4' energy: -23.039
flat angles P-C4'-P energy: -8.431
tors. eta vs tors. theta energy: -21.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -601.457098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.457098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.457098 (E_RNA)
where:
Base-Base interactions energy: -434.766
where: short stacking energy: -184.198
Base-Backbone interact. energy: 0.170
local terms energy: -166.860909
where:
bonds (distance) C4'-P energy: -25.916
bonds (distance) P-C4' energy: -32.629
flat angles C4'-P-C4' energy: -35.727
flat angles P-C4'-P energy: -25.054
tors. eta vs tors. theta energy: -47.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -583.245015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.245015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.245015 (E_RNA)
where:
Base-Base interactions energy: -412.378
where: short stacking energy: -172.262
Base-Backbone interact. energy: -0.236
local terms energy: -170.631323
where:
bonds (distance) C4'-P energy: -25.831
bonds (distance) P-C4' energy: -36.018
flat angles C4'-P-C4' energy: -33.683
flat angles P-C4'-P energy: -24.847
tors. eta vs tors. theta energy: -50.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -558.673644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.673644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.673644 (E_RNA)
where:
Base-Base interactions energy: -393.606
where: short stacking energy: -169.475
Base-Backbone interact. energy: 0.786
local terms energy: -165.853651
where:
bonds (distance) C4'-P energy: -27.025
bonds (distance) P-C4' energy: -31.305
flat angles C4'-P-C4' energy: -36.619
flat angles P-C4'-P energy: -24.887
tors. eta vs tors. theta energy: -46.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -526.377473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.377473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.377473 (E_RNA)
where:
Base-Base interactions energy: -362.337
where: short stacking energy: -157.244
Base-Backbone interact. energy: 1.260
local terms energy: -165.300444
where:
bonds (distance) C4'-P energy: -26.272
bonds (distance) P-C4' energy: -32.966
flat angles C4'-P-C4' energy: -38.399
flat angles P-C4'-P energy: -23.277
tors. eta vs tors. theta energy: -44.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -525.792704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.792704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.792704 (E_RNA)
where:
Base-Base interactions energy: -370.531
where: short stacking energy: -150.581
Base-Backbone interact. energy: -0.517
local terms energy: -154.744407
where:
bonds (distance) C4'-P energy: -30.868
bonds (distance) P-C4' energy: -31.281
flat angles C4'-P-C4' energy: -33.325
flat angles P-C4'-P energy: -19.495
tors. eta vs tors. theta energy: -39.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -517.566231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.566231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.566231 (E_RNA)
where:
Base-Base interactions energy: -369.004
where: short stacking energy: -160.941
Base-Backbone interact. energy: -1.269
local terms energy: -147.292995
where:
bonds (distance) C4'-P energy: -21.061
bonds (distance) P-C4' energy: -21.625
flat angles C4'-P-C4' energy: -33.810
flat angles P-C4'-P energy: -25.957
tors. eta vs tors. theta energy: -44.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -467.634145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.634145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.634145 (E_RNA)
where:
Base-Base interactions energy: -334.245
where: short stacking energy: -151.581
Base-Backbone interact. energy: 0.769
local terms energy: -134.157749
where:
bonds (distance) C4'-P energy: -27.912
bonds (distance) P-C4' energy: -26.358
flat angles C4'-P-C4' energy: -26.993
flat angles P-C4'-P energy: -13.772
tors. eta vs tors. theta energy: -39.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -390.929851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.929851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.929851 (E_RNA)
where:
Base-Base interactions energy: -252.124
where: short stacking energy: -120.691
Base-Backbone interact. energy: -1.923
local terms energy: -136.882999
where:
bonds (distance) C4'-P energy: -30.047
bonds (distance) P-C4' energy: -33.517
flat angles C4'-P-C4' energy: -28.714
flat angles P-C4'-P energy: -16.575
tors. eta vs tors. theta energy: -28.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -431.748096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.748096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.748096 (E_RNA)
where:
Base-Base interactions energy: -306.783
where: short stacking energy: -129.636
Base-Backbone interact. energy: 0.438
local terms energy: -125.402765
where:
bonds (distance) C4'-P energy: -26.227
bonds (distance) P-C4' energy: -29.573
flat angles C4'-P-C4' energy: -27.764
flat angles P-C4'-P energy: -13.819
tors. eta vs tors. theta energy: -28.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -312.905181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.905181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.905181 (E_RNA)
where:
Base-Base interactions energy: -194.318
where: short stacking energy: -95.908
Base-Backbone interact. energy: -0.418
local terms energy: -118.168811
where:
bonds (distance) C4'-P energy: -30.627
bonds (distance) P-C4' energy: -24.063
flat angles C4'-P-C4' energy: -25.017
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -25.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -607.519836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.519836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.519836 (E_RNA)
where:
Base-Base interactions energy: -419.455
where: short stacking energy: -166.039
Base-Backbone interact. energy: -0.154
local terms energy: -187.910569
where:
bonds (distance) C4'-P energy: -34.067
bonds (distance) P-C4' energy: -36.216
flat angles C4'-P-C4' energy: -38.406
flat angles P-C4'-P energy: -28.672
tors. eta vs tors. theta energy: -50.550
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: 8
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -580.911857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.911857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.911857 (E_RNA)
where:
Base-Base interactions energy: -403.035
where: short stacking energy: -169.275
Base-Backbone interact. energy: -0.417
local terms energy: -177.459840
where:
bonds (distance) C4'-P energy: -33.961
bonds (distance) P-C4' energy: -29.869
flat angles C4'-P-C4' energy: -34.972
flat angles P-C4'-P energy: -30.889
tors. eta vs tors. theta energy: -47.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -559.112275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.112275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.112275 (E_RNA)
where:
Base-Base interactions energy: -388.952
where: short stacking energy: -176.661
Base-Backbone interact. energy: -0.721
local terms energy: -169.439462
where:
bonds (distance) C4'-P energy: -32.241
bonds (distance) P-C4' energy: -31.060
flat angles C4'-P-C4' energy: -35.236
flat angles P-C4'-P energy: -21.001
tors. eta vs tors. theta energy: -49.902
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: 6
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -535.983323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.983323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.983323 (E_RNA)
where:
Base-Base interactions energy: -367.193
where: short stacking energy: -163.467
Base-Backbone interact. energy: -1.138
local terms energy: -167.651591
where:
bonds (distance) C4'-P energy: -33.032
bonds (distance) P-C4' energy: -29.030
flat angles C4'-P-C4' energy: -38.430
flat angles P-C4'-P energy: -22.077
tors. eta vs tors. theta energy: -45.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -536.374035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.374035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.374035 (E_RNA)
where:
Base-Base interactions energy: -365.698
where: short stacking energy: -150.312
Base-Backbone interact. energy: -1.103
local terms energy: -169.572610
where:
bonds (distance) C4'-P energy: -34.954
bonds (distance) P-C4' energy: -35.356
flat angles C4'-P-C4' energy: -34.347
flat angles P-C4'-P energy: -23.773
tors. eta vs tors. theta energy: -41.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -524.859805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.859805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.859805 (E_RNA)
where:
Base-Base interactions energy: -361.791
where: short stacking energy: -154.132
Base-Backbone interact. energy: -1.039
local terms energy: -162.029541
where:
bonds (distance) C4'-P energy: -32.945
bonds (distance) P-C4' energy: -28.307
flat angles C4'-P-C4' energy: -35.528
flat angles P-C4'-P energy: -19.187
tors. eta vs tors. theta energy: -46.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -451.526223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.526223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.526223 (E_RNA)
where:
Base-Base interactions energy: -310.190
where: short stacking energy: -138.376
Base-Backbone interact. energy: -0.101
local terms energy: -141.235166
where:
bonds (distance) C4'-P energy: -25.563
bonds (distance) P-C4' energy: -30.339
flat angles C4'-P-C4' energy: -25.010
flat angles P-C4'-P energy: -25.226
tors. eta vs tors. theta energy: -35.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -382.824613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.824613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.824613 (E_RNA)
where:
Base-Base interactions energy: -260.997
where: short stacking energy: -124.855
Base-Backbone interact. energy: -0.354
local terms energy: -121.473554
where:
bonds (distance) C4'-P energy: -25.134
bonds (distance) P-C4' energy: -19.454
flat angles C4'-P-C4' energy: -25.345
flat angles P-C4'-P energy: -23.703
tors. eta vs tors. theta energy: -27.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -418.280059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.280059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.280059 (E_RNA)
where:
Base-Base interactions energy: -287.570
where: short stacking energy: -125.214
Base-Backbone interact. energy: -0.848
local terms energy: -129.861781
where:
bonds (distance) C4'-P energy: -25.249
bonds (distance) P-C4' energy: -24.302
flat angles C4'-P-C4' energy: -24.233
flat angles P-C4'-P energy: -23.395
tors. eta vs tors. theta energy: -32.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -324.397893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.397893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.397893 (E_RNA)
where:
Base-Base interactions energy: -216.177
where: short stacking energy: -105.350
Base-Backbone interact. energy: -0.792
local terms energy: -107.428953
where:
bonds (distance) C4'-P energy: -24.127
bonds (distance) P-C4' energy: -31.223
flat angles C4'-P-C4' energy: -22.533
flat angles P-C4'-P energy: -13.938
tors. eta vs tors. theta energy: -15.608
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: 2
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -606.603381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.603381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.603381 (E_RNA)
where:
Base-Base interactions energy: -434.699
where: short stacking energy: -178.906
Base-Backbone interact. energy: 2.814
local terms energy: -174.718420
where:
bonds (distance) C4'-P energy: -33.342
bonds (distance) P-C4' energy: -29.038
flat angles C4'-P-C4' energy: -38.445
flat angles P-C4'-P energy: -23.935
tors. eta vs tors. theta energy: -49.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -566.286670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.286670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.286670 (E_RNA)
where:
Base-Base interactions energy: -400.628
where: short stacking energy: -160.741
Base-Backbone interact. energy: -1.021
local terms energy: -164.637987
where:
bonds (distance) C4'-P energy: -27.273
bonds (distance) P-C4' energy: -32.004
flat angles C4'-P-C4' energy: -34.137
flat angles P-C4'-P energy: -21.488
tors. eta vs tors. theta energy: -49.737
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: 451
Temperature: 1.000000
Total energy: -562.908079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.908079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.908079 (E_RNA)
where:
Base-Base interactions energy: -386.014
where: short stacking energy: -165.331
Base-Backbone interact. energy: -0.469
local terms energy: -176.425298
where:
bonds (distance) C4'-P energy: -30.798
bonds (distance) P-C4' energy: -33.126
flat angles C4'-P-C4' energy: -30.591
flat angles P-C4'-P energy: -30.217
tors. eta vs tors. theta energy: -51.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -545.821861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.821861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.821861 (E_RNA)
where:
Base-Base interactions energy: -382.179
where: short stacking energy: -162.567
Base-Backbone interact. energy: -0.491
local terms energy: -163.151415
where:
bonds (distance) C4'-P energy: -30.548
bonds (distance) P-C4' energy: -33.305
flat angles C4'-P-C4' energy: -36.217
flat angles P-C4'-P energy: -22.544
tors. eta vs tors. theta energy: -40.537
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: 6
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -531.362056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.362056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.362056 (E_RNA)
where:
Base-Base interactions energy: -361.847
where: short stacking energy: -168.182
Base-Backbone interact. energy: -0.024
local terms energy: -169.490805
where:
bonds (distance) C4'-P energy: -28.768
bonds (distance) P-C4' energy: -27.443
flat angles C4'-P-C4' energy: -35.862
flat angles P-C4'-P energy: -24.172
tors. eta vs tors. theta energy: -53.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -517.115635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.115635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.115635 (E_RNA)
where:
Base-Base interactions energy: -361.298
where: short stacking energy: -157.295
Base-Backbone interact. energy: -0.294
local terms energy: -155.523602
where:
bonds (distance) C4'-P energy: -25.292
bonds (distance) P-C4' energy: -30.798
flat angles C4'-P-C4' energy: -34.556
flat angles P-C4'-P energy: -22.389
tors. eta vs tors. theta energy: -42.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -396.181564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.181564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.181564 (E_RNA)
where:
Base-Base interactions energy: -260.822
where: short stacking energy: -112.880
Base-Backbone interact. energy: -0.340
local terms energy: -135.019235
where:
bonds (distance) C4'-P energy: -23.453
bonds (distance) P-C4' energy: -34.635
flat angles C4'-P-C4' energy: -30.776
flat angles P-C4'-P energy: -23.810
tors. eta vs tors. theta energy: -22.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -387.093164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.093164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.093164 (E_RNA)
where:
Base-Base interactions energy: -262.626
where: short stacking energy: -116.035
Base-Backbone interact. energy: -0.254
local terms energy: -124.213294
where:
bonds (distance) C4'-P energy: -31.118
bonds (distance) P-C4' energy: -29.279
flat angles C4'-P-C4' energy: -32.618
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -17.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -373.019766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.019766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.019766 (E_RNA)
where:
Base-Base interactions energy: -247.677
where: short stacking energy: -120.411
Base-Backbone interact. energy: 1.637
local terms energy: -126.980368
where:
bonds (distance) C4'-P energy: -23.249
bonds (distance) P-C4' energy: -31.036
flat angles C4'-P-C4' energy: -29.732
flat angles P-C4'-P energy: -20.352
tors. eta vs tors. theta energy: -22.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -307.302805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.302805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.302805 (E_RNA)
where:
Base-Base interactions energy: -205.193
where: short stacking energy: -98.150
Base-Backbone interact. energy: -0.204
local terms energy: -101.906369
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -28.159
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -16.798
tors. eta vs tors. theta energy: -23.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -608.099464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.099464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.099464 (E_RNA)
where:
Base-Base interactions energy: -434.092
where: short stacking energy: -172.406
Base-Backbone interact. energy: -1.213
local terms energy: -172.794470
where:
bonds (distance) C4'-P energy: -29.557
bonds (distance) P-C4' energy: -32.995
flat angles C4'-P-C4' energy: -35.750
flat angles P-C4'-P energy: -25.367
tors. eta vs tors. theta energy: -49.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -580.297099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.297099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.297099 (E_RNA)
where:
Base-Base interactions energy: -407.242
where: short stacking energy: -179.246
Base-Backbone interact. energy: -0.937
local terms energy: -172.118616
where:
bonds (distance) C4'-P energy: -30.348
bonds (distance) P-C4' energy: -37.710
flat angles C4'-P-C4' energy: -34.001
flat angles P-C4'-P energy: -22.816
tors. eta vs tors. theta energy: -47.245
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: 5
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -581.974615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.974615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.974615 (E_RNA)
where:
Base-Base interactions energy: -413.353
where: short stacking energy: -169.576
Base-Backbone interact. energy: -0.773
local terms energy: -167.848534
where:
bonds (distance) C4'-P energy: -30.338
bonds (distance) P-C4' energy: -35.269
flat angles C4'-P-C4' energy: -36.330
flat angles P-C4'-P energy: -21.275
tors. eta vs tors. theta energy: -44.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -551.985551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.985551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.985551 (E_RNA)
where:
Base-Base interactions energy: -383.515
where: short stacking energy: -150.085
Base-Backbone interact. energy: -0.322
local terms energy: -168.148871
where:
bonds (distance) C4'-P energy: -30.379
bonds (distance) P-C4' energy: -35.485
flat angles C4'-P-C4' energy: -38.860
flat angles P-C4'-P energy: -21.661
tors. eta vs tors. theta energy: -41.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -520.817877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.817877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.817877 (E_RNA)
where:
Base-Base interactions energy: -363.924
where: short stacking energy: -157.434
Base-Backbone interact. energy: -0.755
local terms energy: -156.139187
where:
bonds (distance) C4'-P energy: -36.014
bonds (distance) P-C4' energy: -28.253
flat angles C4'-P-C4' energy: -29.714
flat angles P-C4'-P energy: -22.570
tors. eta vs tors. theta energy: -39.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -521.534843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.534843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.534843 (E_RNA)
where:
Base-Base interactions energy: -361.753
where: short stacking energy: -163.772
Base-Backbone interact. energy: 0.226
local terms energy: -160.007267
where:
bonds (distance) C4'-P energy: -33.586
bonds (distance) P-C4' energy: -28.631
flat angles C4'-P-C4' energy: -29.832
flat angles P-C4'-P energy: -18.431
tors. eta vs tors. theta energy: -49.527
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: 10
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -432.437607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.437607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.437607 (E_RNA)
where:
Base-Base interactions energy: -297.312
where: short stacking energy: -131.552
Base-Backbone interact. energy: -0.363
local terms energy: -134.762195
where:
bonds (distance) C4'-P energy: -26.614
bonds (distance) P-C4' energy: -27.845
flat angles C4'-P-C4' energy: -31.448
flat angles P-C4'-P energy: -18.543
tors. eta vs tors. theta energy: -30.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -399.369092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.369092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.369092 (E_RNA)
where:
Base-Base interactions energy: -269.476
where: short stacking energy: -130.079
Base-Backbone interact. energy: -1.121
local terms energy: -128.771386
where:
bonds (distance) C4'-P energy: -24.408
bonds (distance) P-C4' energy: -21.789
flat angles C4'-P-C4' energy: -26.976
flat angles P-C4'-P energy: -15.598
tors. eta vs tors. theta energy: -40.000
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: 1
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -358.675219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.675219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.675219 (E_RNA)
where:
Base-Base interactions energy: -258.397
where: short stacking energy: -106.500
Base-Backbone interact. energy: -0.225
local terms energy: -100.053760
where:
bonds (distance) C4'-P energy: -21.099
bonds (distance) P-C4' energy: -23.727
flat angles C4'-P-C4' energy: -24.054
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -19.187
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: 3
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -337.567660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.567660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.567660 (E_RNA)
where:
Base-Base interactions energy: -219.183
where: short stacking energy: -111.515
Base-Backbone interact. energy: -0.046
local terms energy: -118.338433
where:
bonds (distance) C4'-P energy: -23.283
bonds (distance) P-C4' energy: -22.894
flat angles C4'-P-C4' energy: -33.228
flat angles P-C4'-P energy: -18.904
tors. eta vs tors. theta energy: -20.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -607.507722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.507722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.507722 (E_RNA)
where:
Base-Base interactions energy: -447.138
where: short stacking energy: -175.982
Base-Backbone interact. energy: -2.525
local terms energy: -157.844420
where:
bonds (distance) C4'-P energy: -30.288
bonds (distance) P-C4' energy: -18.984
flat angles C4'-P-C4' energy: -32.779
flat angles P-C4'-P energy: -27.147
tors. eta vs tors. theta energy: -48.646
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: 5
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -560.288513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.288513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.288513 (E_RNA)
where:
Base-Base interactions energy: -399.423
where: short stacking energy: -175.121
Base-Backbone interact. energy: 0.612
local terms energy: -161.477207
where:
bonds (distance) C4'-P energy: -29.298
bonds (distance) P-C4' energy: -32.858
flat angles C4'-P-C4' energy: -30.520
flat angles P-C4'-P energy: -20.148
tors. eta vs tors. theta energy: -48.653
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: 8
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -562.949423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.949423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.949423 (E_RNA)
where:
Base-Base interactions energy: -387.108
where: short stacking energy: -167.102
Base-Backbone interact. energy: -0.462
local terms energy: -175.378716
where:
bonds (distance) C4'-P energy: -35.409
bonds (distance) P-C4' energy: -31.680
flat angles C4'-P-C4' energy: -38.140
flat angles P-C4'-P energy: -21.128
tors. eta vs tors. theta energy: -49.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -542.869096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.869096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.869096 (E_RNA)
where:
Base-Base interactions energy: -384.302
where: short stacking energy: -148.614
Base-Backbone interact. energy: -0.566
local terms energy: -158.001543
where:
bonds (distance) C4'-P energy: -31.911
bonds (distance) P-C4' energy: -33.473
flat angles C4'-P-C4' energy: -32.279
flat angles P-C4'-P energy: -22.775
tors. eta vs tors. theta energy: -37.564
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: 9
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -524.716499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.716499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.716499 (E_RNA)
where:
Base-Base interactions energy: -372.172
where: short stacking energy: -160.154
Base-Backbone interact. energy: -0.912
local terms energy: -151.632551
where:
bonds (distance) C4'-P energy: -27.133
bonds (distance) P-C4' energy: -24.190
flat angles C4'-P-C4' energy: -32.458
flat angles P-C4'-P energy: -23.429
tors. eta vs tors. theta energy: -44.423
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: 6
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -513.806317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.806317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.806317 (E_RNA)
where:
Base-Base interactions energy: -351.751
where: short stacking energy: -146.396
Base-Backbone interact. energy: -0.826
local terms energy: -161.229346
where:
bonds (distance) C4'-P energy: -29.552
bonds (distance) P-C4' energy: -30.020
flat angles C4'-P-C4' energy: -29.919
flat angles P-C4'-P energy: -29.569
tors. eta vs tors. theta energy: -42.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -461.411698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.411698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.411698 (E_RNA)
where:
Base-Base interactions energy: -327.817
where: short stacking energy: -133.039
Base-Backbone interact. energy: -0.215
local terms energy: -133.380018
where:
bonds (distance) C4'-P energy: -23.409
bonds (distance) P-C4' energy: -31.434
flat angles C4'-P-C4' energy: -30.943
flat angles P-C4'-P energy: -17.343
tors. eta vs tors. theta energy: -30.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -407.025421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.025421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.025421 (E_RNA)
where:
Base-Base interactions energy: -276.302
where: short stacking energy: -132.224
Base-Backbone interact. energy: -0.137
local terms energy: -130.585729
where:
bonds (distance) C4'-P energy: -29.635
bonds (distance) P-C4' energy: -20.608
flat angles C4'-P-C4' energy: -33.900
flat angles P-C4'-P energy: -13.546
tors. eta vs tors. theta energy: -32.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -372.432808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.432808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.432808 (E_RNA)
where:
Base-Base interactions energy: -235.136
where: short stacking energy: -100.598
Base-Backbone interact. energy: -0.461
local terms energy: -136.835711
where:
bonds (distance) C4'-P energy: -25.458
bonds (distance) P-C4' energy: -31.819
flat angles C4'-P-C4' energy: -35.530
flat angles P-C4'-P energy: -22.479
tors. eta vs tors. theta energy: -21.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -331.309083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.309083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.309083 (E_RNA)
where:
Base-Base interactions energy: -208.334
where: short stacking energy: -114.586
Base-Backbone interact. energy: 0.943
local terms energy: -123.918172
where:
bonds (distance) C4'-P energy: -30.800
bonds (distance) P-C4' energy: -21.436
flat angles C4'-P-C4' energy: -32.855
flat angles P-C4'-P energy: -16.080
tors. eta vs tors. theta energy: -22.748
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: 2
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -612.349244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.349244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.349244 (E_RNA)
where:
Base-Base interactions energy: -444.734
where: short stacking energy: -173.026
Base-Backbone interact. energy: -3.101
local terms energy: -164.513613
where:
bonds (distance) C4'-P energy: -27.760
bonds (distance) P-C4' energy: -32.261
flat angles C4'-P-C4' energy: -34.844
flat angles P-C4'-P energy: -25.141
tors. eta vs tors. theta energy: -44.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -563.555164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.555164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.555164 (E_RNA)
where:
Base-Base interactions energy: -393.350
where: short stacking energy: -165.268
Base-Backbone interact. energy: -0.652
local terms energy: -169.552927
where:
bonds (distance) C4'-P energy: -26.955
bonds (distance) P-C4' energy: -28.761
flat angles C4'-P-C4' energy: -35.555
flat angles P-C4'-P energy: -29.563
tors. eta vs tors. theta energy: -48.720
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: 3, replica: 8
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -568.568818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.568818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.568818 (E_RNA)
where:
Base-Base interactions energy: -388.083
where: short stacking energy: -154.057
Base-Backbone interact. energy: -0.375
local terms energy: -180.111064
where:
bonds (distance) C4'-P energy: -40.220
bonds (distance) P-C4' energy: -29.359
flat angles C4'-P-C4' energy: -36.326
flat angles P-C4'-P energy: -27.289
tors. eta vs tors. theta energy: -46.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -538.913489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.913489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.913489 (E_RNA)
where:
Base-Base interactions energy: -392.096
where: short stacking energy: -156.521
Base-Backbone interact. energy: 0.514
local terms energy: -147.331318
where:
bonds (distance) C4'-P energy: -30.598
bonds (distance) P-C4' energy: -32.282
flat angles C4'-P-C4' energy: -27.143
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -43.878
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: 9
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -525.362714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.362714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.362714 (E_RNA)
where:
Base-Base interactions energy: -369.086
where: short stacking energy: -155.790
Base-Backbone interact. energy: -0.540
local terms energy: -155.736615
where:
bonds (distance) C4'-P energy: -25.864
bonds (distance) P-C4' energy: -31.243
flat angles C4'-P-C4' energy: -34.361
flat angles P-C4'-P energy: -20.409
tors. eta vs tors. theta energy: -43.859
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: 6
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -510.011991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.011991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.011991 (E_RNA)
where:
Base-Base interactions energy: -357.324
where: short stacking energy: -163.159
Base-Backbone interact. energy: -0.675
local terms energy: -152.013313
where:
bonds (distance) C4'-P energy: -24.291
bonds (distance) P-C4' energy: -28.751
flat angles C4'-P-C4' energy: -35.406
flat angles P-C4'-P energy: -20.109
tors. eta vs tors. theta energy: -43.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -452.279769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.279769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.279769 (E_RNA)
where:
Base-Base interactions energy: -314.209
where: short stacking energy: -144.219
Base-Backbone interact. energy: -1.346
local terms energy: -136.724205
where:
bonds (distance) C4'-P energy: -27.432
bonds (distance) P-C4' energy: -28.532
flat angles C4'-P-C4' energy: -29.865
flat angles P-C4'-P energy: -22.272
tors. eta vs tors. theta energy: -28.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -365.064075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.064075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.064075 (E_RNA)
where:
Base-Base interactions energy: -242.772
where: short stacking energy: -114.368
Base-Backbone interact. energy: 0.224
local terms energy: -122.516023
where:
bonds (distance) C4'-P energy: -30.538
bonds (distance) P-C4' energy: -30.259
flat angles C4'-P-C4' energy: -26.585
flat angles P-C4'-P energy: -16.808
tors. eta vs tors. theta energy: -18.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -328.447341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.447341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.447341 (E_RNA)
where:
Base-Base interactions energy: -202.139
where: short stacking energy: -97.156
Base-Backbone interact. energy: -0.869
local terms energy: -125.439571
where:
bonds (distance) C4'-P energy: -26.592
bonds (distance) P-C4' energy: -30.632
flat angles C4'-P-C4' energy: -21.241
flat angles P-C4'-P energy: -23.126
tors. eta vs tors. theta energy: -23.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -330.518471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.518471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.518471 (E_RNA)
where:
Base-Base interactions energy: -221.782
where: short stacking energy: -106.692
Base-Backbone interact. energy: -0.284
local terms energy: -108.451998
where:
bonds (distance) C4'-P energy: -30.168
bonds (distance) P-C4' energy: -21.129
flat angles C4'-P-C4' energy: -25.939
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -19.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -601.442343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.442343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.442343 (E_RNA)
where:
Base-Base interactions energy: -435.884
where: short stacking energy: -179.952
Base-Backbone interact. energy: 2.211
local terms energy: -167.768851
where:
bonds (distance) C4'-P energy: -30.051
bonds (distance) P-C4' energy: -32.192
flat angles C4'-P-C4' energy: -36.284
flat angles P-C4'-P energy: -21.879
tors. eta vs tors. theta energy: -47.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -579.367545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.367545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.367545 (E_RNA)
where:
Base-Base interactions energy: -409.902
where: short stacking energy: -182.883
Base-Backbone interact. energy: 0.204
local terms energy: -169.668718
where:
bonds (distance) C4'-P energy: -26.695
bonds (distance) P-C4' energy: -31.964
flat angles C4'-P-C4' energy: -35.273
flat angles P-C4'-P energy: -24.425
tors. eta vs tors. theta energy: -51.312
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: 5
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -552.408386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.408386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.408386 (E_RNA)
where:
Base-Base interactions energy: -381.934
where: short stacking energy: -172.496
Base-Backbone interact. energy: -0.176
local terms energy: -170.298021
where:
bonds (distance) C4'-P energy: -30.801
bonds (distance) P-C4' energy: -30.059
flat angles C4'-P-C4' energy: -36.585
flat angles P-C4'-P energy: -26.538
tors. eta vs tors. theta energy: -46.315
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: 4, replica: 9
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -553.980460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.980460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.980460 (E_RNA)
where:
Base-Base interactions energy: -386.328
where: short stacking energy: -156.495
Base-Backbone interact. energy: -1.555
local terms energy: -166.097584
where:
bonds (distance) C4'-P energy: -27.601
bonds (distance) P-C4' energy: -35.070
flat angles C4'-P-C4' energy: -33.063
flat angles P-C4'-P energy: -24.616
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: 5, replica: 7
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -523.767247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.767247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.767247 (E_RNA)
where:
Base-Base interactions energy: -370.785
where: short stacking energy: -145.235
Base-Backbone interact. energy: -0.775
local terms energy: -152.207761
where:
bonds (distance) C4'-P energy: -31.689
bonds (distance) P-C4' energy: -27.697
flat angles C4'-P-C4' energy: -31.899
flat angles P-C4'-P energy: -25.578
tors. eta vs tors. theta energy: -35.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -508.577961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.577961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.577961 (E_RNA)
where:
Base-Base interactions energy: -351.049
where: short stacking energy: -148.225
Base-Backbone interact. energy: 2.523
local terms energy: -160.051895
where:
bonds (distance) C4'-P energy: -30.839
bonds (distance) P-C4' energy: -32.464
flat angles C4'-P-C4' energy: -34.826
flat angles P-C4'-P energy: -18.356
tors. eta vs tors. theta energy: -43.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -462.347415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.347415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.347415 (E_RNA)
where:
Base-Base interactions energy: -308.189
where: short stacking energy: -147.173
Base-Backbone interact. energy: -1.432
local terms energy: -152.726031
where:
bonds (distance) C4'-P energy: -26.653
bonds (distance) P-C4' energy: -29.468
flat angles C4'-P-C4' energy: -32.592
flat angles P-C4'-P energy: -23.380
tors. eta vs tors. theta energy: -40.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -338.020697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.020697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.020697 (E_RNA)
where:
Base-Base interactions energy: -236.448
where: short stacking energy: -104.184
Base-Backbone interact. energy: -0.900
local terms energy: -100.672872
where:
bonds (distance) C4'-P energy: -23.035
bonds (distance) P-C4' energy: -25.879
flat angles C4'-P-C4' energy: -26.319
flat angles P-C4'-P energy: -14.358
tors. eta vs tors. theta energy: -11.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -344.453460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.453460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.453460 (E_RNA)
where:
Base-Base interactions energy: -217.295
where: short stacking energy: -98.866
Base-Backbone interact. energy: -0.532
local terms energy: -126.625885
where:
bonds (distance) C4'-P energy: -27.701
bonds (distance) P-C4' energy: -34.118
flat angles C4'-P-C4' energy: -30.359
flat angles P-C4'-P energy: -14.821
tors. eta vs tors. theta energy: -19.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -309.454501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.454501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.454501 (E_RNA)
where:
Base-Base interactions energy: -184.813
where: short stacking energy: -91.765
Base-Backbone interact. energy: -1.372
local terms energy: -123.269539
where:
bonds (distance) C4'-P energy: -31.590
bonds (distance) P-C4' energy: -29.689
flat angles C4'-P-C4' energy: -18.746
flat angles P-C4'-P energy: -19.631
tors. eta vs tors. theta energy: -23.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -601.650219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.650219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.650219 (E_RNA)
where:
Base-Base interactions energy: -431.128
where: short stacking energy: -173.332
Base-Backbone interact. energy: -0.350
local terms energy: -170.172694
where:
bonds (distance) C4'-P energy: -35.342
bonds (distance) P-C4' energy: -33.445
flat angles C4'-P-C4' energy: -38.047
flat angles P-C4'-P energy: -23.169
tors. eta vs tors. theta energy: -40.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -572.811522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.811522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.811522 (E_RNA)
where:
Base-Base interactions energy: -407.615
where: short stacking energy: -173.732
Base-Backbone interact. energy: -1.288
local terms energy: -163.908766
where:
bonds (distance) C4'-P energy: -27.657
bonds (distance) P-C4' energy: -25.227
flat angles C4'-P-C4' energy: -35.581
flat angles P-C4'-P energy: -26.492
tors. eta vs tors. theta energy: -48.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -561.850327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.850327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.850327 (E_RNA)
where:
Base-Base interactions energy: -413.464
where: short stacking energy: -172.077
Base-Backbone interact. energy: -0.813
local terms energy: -147.573834
where:
bonds (distance) C4'-P energy: -23.875
bonds (distance) P-C4' energy: -28.321
flat angles C4'-P-C4' energy: -30.125
flat angles P-C4'-P energy: -21.963
tors. eta vs tors. theta energy: -43.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -541.974211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.974211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.974211 (E_RNA)
where:
Base-Base interactions energy: -379.362
where: short stacking energy: -170.416
Base-Backbone interact. energy: -0.085
local terms energy: -162.527292
where:
bonds (distance) C4'-P energy: -28.441
bonds (distance) P-C4' energy: -31.141
flat angles C4'-P-C4' energy: -32.961
flat angles P-C4'-P energy: -24.211
tors. eta vs tors. theta energy: -45.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -544.315964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.315964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.315964 (E_RNA)
where:
Base-Base interactions energy: -373.866
where: short stacking energy: -176.182
Base-Backbone interact. energy: -0.579
local terms energy: -169.871707
where:
bonds (distance) C4'-P energy: -25.528
bonds (distance) P-C4' energy: -32.381
flat angles C4'-P-C4' energy: -35.019
flat angles P-C4'-P energy: -24.901
tors. eta vs tors. theta energy: -52.043
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: 7
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -517.272750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.272750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.272750 (E_RNA)
where:
Base-Base interactions energy: -373.548
where: short stacking energy: -138.248
Base-Backbone interact. energy: -1.619
local terms energy: -142.105121
where:
bonds (distance) C4'-P energy: -27.510
bonds (distance) P-C4' energy: -29.200
flat angles C4'-P-C4' energy: -29.620
flat angles P-C4'-P energy: -21.924
tors. eta vs tors. theta energy: -33.851
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: 7, replica: 10
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -446.162092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.162092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.162092 (E_RNA)
where:
Base-Base interactions energy: -307.243
where: short stacking energy: -129.456
Base-Backbone interact. energy: -0.881
local terms energy: -138.037766
where:
bonds (distance) C4'-P energy: -27.695
bonds (distance) P-C4' energy: -27.187
flat angles C4'-P-C4' energy: -31.421
flat angles P-C4'-P energy: -22.193
tors. eta vs tors. theta energy: -29.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -378.697581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.697581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.697581 (E_RNA)
where:
Base-Base interactions energy: -263.952
where: short stacking energy: -122.442
Base-Backbone interact. energy: -0.973
local terms energy: -113.772854
where:
bonds (distance) C4'-P energy: -19.053
bonds (distance) P-C4' energy: -29.098
flat angles C4'-P-C4' energy: -22.061
flat angles P-C4'-P energy: -14.681
tors. eta vs tors. theta energy: -28.880
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: 3
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -364.588834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.588834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.588834 (E_RNA)
where:
Base-Base interactions energy: -254.878
where: short stacking energy: -100.259
Base-Backbone interact. energy: -0.165
local terms energy: -109.545245
where:
bonds (distance) C4'-P energy: -22.526
bonds (distance) P-C4' energy: -28.340
flat angles C4'-P-C4' energy: -28.317
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -17.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -300.043446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.043446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.043446 (E_RNA)
where:
Base-Base interactions energy: -191.543
where: short stacking energy: -81.479
Base-Backbone interact. energy: -0.820
local terms energy: -107.680906
where:
bonds (distance) C4'-P energy: -30.611
bonds (distance) P-C4' energy: -20.651
flat angles C4'-P-C4' energy: -23.958
flat angles P-C4'-P energy: -18.614
tors. eta vs tors. theta energy: -13.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -601.938364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.938364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.938364 (E_RNA)
where:
Base-Base interactions energy: -429.596
where: short stacking energy: -175.339
Base-Backbone interact. energy: -0.504
local terms energy: -171.837653
where:
bonds (distance) C4'-P energy: -25.976
bonds (distance) P-C4' energy: -33.058
flat angles C4'-P-C4' energy: -41.892
flat angles P-C4'-P energy: -29.566
tors. eta vs tors. theta energy: -41.346
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: 9
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -569.509049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.509049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.509049 (E_RNA)
where:
Base-Base interactions energy: -404.683
where: short stacking energy: -171.228
Base-Backbone interact. energy: 0.439
local terms energy: -165.265285
where:
bonds (distance) C4'-P energy: -37.747
bonds (distance) P-C4' energy: -25.963
flat angles C4'-P-C4' energy: -30.977
flat angles P-C4'-P energy: -24.058
tors. eta vs tors. theta energy: -46.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -572.719509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.719509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.719509 (E_RNA)
where:
Base-Base interactions energy: -399.864
where: short stacking energy: -175.681
Base-Backbone interact. energy: -0.583
local terms energy: -172.271780
where:
bonds (distance) C4'-P energy: -29.175
bonds (distance) P-C4' energy: -30.063
flat angles C4'-P-C4' energy: -33.753
flat angles P-C4'-P energy: -25.147
tors. eta vs tors. theta energy: -54.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -544.453243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.453243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.453243 (E_RNA)
where:
Base-Base interactions energy: -384.580
where: short stacking energy: -177.234
Base-Backbone interact. energy: -0.522
local terms energy: -159.351715
where:
bonds (distance) C4'-P energy: -29.984
bonds (distance) P-C4' energy: -27.915
flat angles C4'-P-C4' energy: -31.099
flat angles P-C4'-P energy: -24.395
tors. eta vs tors. theta energy: -45.958
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: 5
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -519.895232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.895232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.895232 (E_RNA)
where:
Base-Base interactions energy: -360.726
where: short stacking energy: -160.045
Base-Backbone interact. energy: -1.495
local terms energy: -157.674060
where:
bonds (distance) C4'-P energy: -29.891
bonds (distance) P-C4' energy: -29.271
flat angles C4'-P-C4' energy: -28.765
flat angles P-C4'-P energy: -24.258
tors. eta vs tors. theta energy: -45.488
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: 7
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -502.518294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.518294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.518294 (E_RNA)
where:
Base-Base interactions energy: -357.567
where: short stacking energy: -146.743
Base-Backbone interact. energy: -0.631
local terms energy: -144.319606
where:
bonds (distance) C4'-P energy: -30.914
bonds (distance) P-C4' energy: -29.684
flat angles C4'-P-C4' energy: -30.429
flat angles P-C4'-P energy: -22.668
tors. eta vs tors. theta energy: -30.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -446.706918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.706918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.706918 (E_RNA)
where:
Base-Base interactions energy: -312.013
where: short stacking energy: -125.398
Base-Backbone interact. energy: -0.180
local terms energy: -134.513830
where:
bonds (distance) C4'-P energy: -26.194
bonds (distance) P-C4' energy: -30.059
flat angles C4'-P-C4' energy: -27.009
flat angles P-C4'-P energy: -15.950
tors. eta vs tors. theta energy: -35.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -369.561798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.561798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.561798 (E_RNA)
where:
Base-Base interactions energy: -250.566
where: short stacking energy: -122.092
Base-Backbone interact. energy: -0.359
local terms energy: -118.636718
where:
bonds (distance) C4'-P energy: -19.722
bonds (distance) P-C4' energy: -27.048
flat angles C4'-P-C4' energy: -27.407
flat angles P-C4'-P energy: -25.396
tors. eta vs tors. theta energy: -19.065
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: 3
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -317.511863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.511863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.511863 (E_RNA)
where:
Base-Base interactions energy: -211.455
where: short stacking energy: -81.344
Base-Backbone interact. energy: -0.838
local terms energy: -105.218211
where:
bonds (distance) C4'-P energy: -32.718
bonds (distance) P-C4' energy: -23.723
flat angles C4'-P-C4' energy: -26.755
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -11.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -328.199888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.199888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.199888 (E_RNA)
where:
Base-Base interactions energy: -207.215
where: short stacking energy: -88.562
Base-Backbone interact. energy: -0.351
local terms energy: -120.634091
where:
bonds (distance) C4'-P energy: -25.300
bonds (distance) P-C4' energy: -27.576
flat angles C4'-P-C4' energy: -26.064
flat angles P-C4'-P energy: -17.984
tors. eta vs tors. theta energy: -23.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -576.382492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.382492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.382492 (E_RNA)
where:
Base-Base interactions energy: -406.766
where: short stacking energy: -172.679
Base-Backbone interact. energy: 1.370
local terms energy: -170.985757
where:
bonds (distance) C4'-P energy: -32.685
bonds (distance) P-C4' energy: -30.573
flat angles C4'-P-C4' energy: -38.228
flat angles P-C4'-P energy: -24.208
tors. eta vs tors. theta energy: -45.292
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: 2
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -598.747772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.747772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.747772 (E_RNA)
where:
Base-Base interactions energy: -427.646
where: short stacking energy: -175.166
Base-Backbone interact. energy: -0.864
local terms energy: -170.237319
where:
bonds (distance) C4'-P energy: -32.489
bonds (distance) P-C4' energy: -29.843
flat angles C4'-P-C4' energy: -37.839
flat angles P-C4'-P energy: -23.067
tors. eta vs tors. theta energy: -47.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -556.095118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.095118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.095118 (E_RNA)
where:
Base-Base interactions energy: -386.130
where: short stacking energy: -180.677
Base-Backbone interact. energy: -0.314
local terms energy: -169.650833
where:
bonds (distance) C4'-P energy: -24.472
bonds (distance) P-C4' energy: -36.818
flat angles C4'-P-C4' energy: -38.042
flat angles P-C4'-P energy: -19.465
tors. eta vs tors. theta energy: -50.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -552.867056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.867056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.867056 (E_RNA)
where:
Base-Base interactions energy: -395.558
where: short stacking energy: -169.206
Base-Backbone interact. energy: -0.237
local terms energy: -157.072308
where:
bonds (distance) C4'-P energy: -26.948
bonds (distance) P-C4' energy: -21.750
flat angles C4'-P-C4' energy: -31.253
flat angles P-C4'-P energy: -26.832
tors. eta vs tors. theta energy: -50.290
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: 7
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -509.188735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.188735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.188735 (E_RNA)
where:
Base-Base interactions energy: -359.602
where: short stacking energy: -147.385
Base-Backbone interact. energy: -1.410
local terms energy: -148.176888
where:
bonds (distance) C4'-P energy: -27.467
bonds (distance) P-C4' energy: -30.016
flat angles C4'-P-C4' energy: -32.706
flat angles P-C4'-P energy: -19.982
tors. eta vs tors. theta energy: -38.006
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: 458
Temperature: 1.150000
Total energy: -499.389341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.389341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.389341 (E_RNA)
where:
Base-Base interactions energy: -350.572
where: short stacking energy: -150.541
Base-Backbone interact. energy: -0.480
local terms energy: -148.337736
where:
bonds (distance) C4'-P energy: -23.164
bonds (distance) P-C4' energy: -33.660
flat angles C4'-P-C4' energy: -30.296
flat angles P-C4'-P energy: -21.118
tors. eta vs tors. theta energy: -40.100
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: 10
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -472.200835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.200835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.200835 (E_RNA)
where:
Base-Base interactions energy: -326.755
where: short stacking energy: -158.386
Base-Backbone interact. energy: -1.065
local terms energy: -144.381170
where:
bonds (distance) C4'-P energy: -18.638
bonds (distance) P-C4' energy: -27.930
flat angles C4'-P-C4' energy: -32.655
flat angles P-C4'-P energy: -21.055
tors. eta vs tors. theta energy: -44.103
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: 4
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -400.940129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.940129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.940129 (E_RNA)
where:
Base-Base interactions energy: -278.950
where: short stacking energy: -126.090
Base-Backbone interact. energy: 1.101
local terms energy: -123.091436
where:
bonds (distance) C4'-P energy: -26.840
bonds (distance) P-C4' energy: -26.868
flat angles C4'-P-C4' energy: -24.340
flat angles P-C4'-P energy: -14.455
tors. eta vs tors. theta energy: -30.588
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: 1
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -320.206730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.206730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.206730 (E_RNA)
where:
Base-Base interactions energy: -201.170
where: short stacking energy: -106.811
Base-Backbone interact. energy: 3.131
local terms energy: -122.167675
where:
bonds (distance) C4'-P energy: -31.343
bonds (distance) P-C4' energy: -23.871
flat angles C4'-P-C4' energy: -30.954
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -23.775
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: 10, replica: 3
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -280.175860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.175860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.175860 (E_RNA)
where:
Base-Base interactions energy: -185.382
where: short stacking energy: -95.670
Base-Backbone interact. energy: -0.546
local terms energy: -94.247872
where:
bonds (distance) C4'-P energy: -19.122
bonds (distance) P-C4' energy: -23.783
flat angles C4'-P-C4' energy: -23.474
flat angles P-C4'-P energy: -16.051
tors. eta vs tors. theta energy: -11.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -580.110081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.110081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.110081 (E_RNA)
where:
Base-Base interactions energy: -414.290
where: short stacking energy: -168.065
Base-Backbone interact. energy: -0.307
local terms energy: -165.513303
where:
bonds (distance) C4'-P energy: -25.375
bonds (distance) P-C4' energy: -31.504
flat angles C4'-P-C4' energy: -39.332
flat angles P-C4'-P energy: -23.102
tors. eta vs tors. theta energy: -46.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -598.634598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.634598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.634598 (E_RNA)
where:
Base-Base interactions energy: -420.361
where: short stacking energy: -174.300
Base-Backbone interact. energy: 0.105
local terms energy: -178.378731
where:
bonds (distance) C4'-P energy: -29.023
bonds (distance) P-C4' energy: -31.782
flat angles C4'-P-C4' energy: -37.762
flat angles P-C4'-P energy: -30.881
tors. eta vs tors. theta energy: -48.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -544.129084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.129084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.129084 (E_RNA)
where:
Base-Base interactions energy: -371.652
where: short stacking energy: -162.334
Base-Backbone interact. energy: -0.092
local terms energy: -172.384479
where:
bonds (distance) C4'-P energy: -29.840
bonds (distance) P-C4' energy: -28.794
flat angles C4'-P-C4' energy: -34.068
flat angles P-C4'-P energy: -28.110
tors. eta vs tors. theta energy: -51.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -550.256414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.256414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.256414 (E_RNA)
where:
Base-Base interactions energy: -388.733
where: short stacking energy: -162.978
Base-Backbone interact. energy: -0.853
local terms energy: -160.670383
where:
bonds (distance) C4'-P energy: -34.471
bonds (distance) P-C4' energy: -22.714
flat angles C4'-P-C4' energy: -37.228
flat angles P-C4'-P energy: -21.897
tors. eta vs tors. theta energy: -44.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -509.252366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.252366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.252366 (E_RNA)
where:
Base-Base interactions energy: -365.360
where: short stacking energy: -142.114
Base-Backbone interact. energy: -0.713
local terms energy: -143.179164
where:
bonds (distance) C4'-P energy: -26.941
bonds (distance) P-C4' energy: -25.790
flat angles C4'-P-C4' energy: -36.625
flat angles P-C4'-P energy: -23.193
tors. eta vs tors. theta energy: -30.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -517.742198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.742198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.742198 (E_RNA)
where:
Base-Base interactions energy: -369.805
where: short stacking energy: -160.998
Base-Backbone interact. energy: -1.045
local terms energy: -146.891787
where:
bonds (distance) C4'-P energy: -25.055
bonds (distance) P-C4' energy: -30.572
flat angles C4'-P-C4' energy: -32.174
flat angles P-C4'-P energy: -16.232
tors. eta vs tors. theta energy: -42.859
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: 10
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -453.830499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.830499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.830499 (E_RNA)
where:
Base-Base interactions energy: -314.902
where: short stacking energy: -141.457
Base-Backbone interact. energy: 0.095
local terms energy: -139.023848
where:
bonds (distance) C4'-P energy: -28.084
bonds (distance) P-C4' energy: -30.039
flat angles C4'-P-C4' energy: -26.472
flat angles P-C4'-P energy: -18.568
tors. eta vs tors. theta energy: -35.860
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: 4
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -436.672779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.672779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.672779 (E_RNA)
where:
Base-Base interactions energy: -299.811
where: short stacking energy: -137.967
Base-Backbone interact. energy: 0.463
local terms energy: -137.324939
where:
bonds (distance) C4'-P energy: -28.066
bonds (distance) P-C4' energy: -27.352
flat angles C4'-P-C4' energy: -30.059
flat angles P-C4'-P energy: -20.835
tors. eta vs tors. theta energy: -31.013
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: 1
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -313.906648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.906648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.906648 (E_RNA)
where:
Base-Base interactions energy: -207.882
where: short stacking energy: -97.703
Base-Backbone interact. energy: -0.798
local terms energy: -105.227071
where:
bonds (distance) C4'-P energy: -24.244
bonds (distance) P-C4' energy: -24.192
flat angles C4'-P-C4' energy: -26.607
flat angles P-C4'-P energy: -13.153
tors. eta vs tors. theta energy: -17.032
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: 10, replica: 3
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -268.353297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.353297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.353297 (E_RNA)
where:
Base-Base interactions energy: -154.988
where: short stacking energy: -86.081
Base-Backbone interact. energy: -0.445
local terms energy: -112.920386
where:
bonds (distance) C4'-P energy: -32.685
bonds (distance) P-C4' energy: -18.322
flat angles C4'-P-C4' energy: -26.052
flat angles P-C4'-P energy: -14.656
tors. eta vs tors. theta energy: -21.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -600.502685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.502685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.502685 (E_RNA)
where:
Base-Base interactions energy: -427.454
where: short stacking energy: -172.481
Base-Backbone interact. energy: -0.340
local terms energy: -172.709197
where:
bonds (distance) C4'-P energy: -29.467
bonds (distance) P-C4' energy: -32.153
flat angles C4'-P-C4' energy: -34.847
flat angles P-C4'-P energy: -33.645
tors. eta vs tors. theta energy: -42.597
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: 2, replica: 9
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -573.163634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.163634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.163634 (E_RNA)
where:
Base-Base interactions energy: -393.420
where: short stacking energy: -176.479
Base-Backbone interact. energy: -2.725
local terms energy: -177.018528
where:
bonds (distance) C4'-P energy: -26.758
bonds (distance) P-C4' energy: -32.213
flat angles C4'-P-C4' energy: -38.112
flat angles P-C4'-P energy: -27.562
tors. eta vs tors. theta energy: -52.374
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: 8
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -568.178195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.178195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.178195 (E_RNA)
where:
Base-Base interactions energy: -385.320
where: short stacking energy: -173.213
Base-Backbone interact. energy: -1.419
local terms energy: -181.439093
where:
bonds (distance) C4'-P energy: -29.679
bonds (distance) P-C4' energy: -33.666
flat angles C4'-P-C4' energy: -38.529
flat angles P-C4'-P energy: -27.588
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: 4, replica: 6
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -543.253691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.253691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.253691 (E_RNA)
where:
Base-Base interactions energy: -365.311
where: short stacking energy: -165.506
Base-Backbone interact. energy: 0.894
local terms energy: -178.837299
where:
bonds (distance) C4'-P energy: -32.463
bonds (distance) P-C4' energy: -30.082
flat angles C4'-P-C4' energy: -37.406
flat angles P-C4'-P energy: -26.361
tors. eta vs tors. theta energy: -52.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -524.107012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.107012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.107012 (E_RNA)
where:
Base-Base interactions energy: -373.527
where: short stacking energy: -156.845
Base-Backbone interact. energy: 0.231
local terms energy: -150.810741
where:
bonds (distance) C4'-P energy: -28.691
bonds (distance) P-C4' energy: -26.503
flat angles C4'-P-C4' energy: -30.184
flat angles P-C4'-P energy: -23.046
tors. eta vs tors. theta energy: -42.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -511.966318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.966318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.966318 (E_RNA)
where:
Base-Base interactions energy: -350.473
where: short stacking energy: -152.450
Base-Backbone interact. energy: -0.210
local terms energy: -161.283155
where:
bonds (distance) C4'-P energy: -26.805
bonds (distance) P-C4' energy: -33.588
flat angles C4'-P-C4' energy: -31.838
flat angles P-C4'-P energy: -23.723
tors. eta vs tors. theta energy: -45.328
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: 10
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -461.917151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.917151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.917151 (E_RNA)
where:
Base-Base interactions energy: -324.480
where: short stacking energy: -141.286
Base-Backbone interact. energy: -0.628
local terms energy: -136.809175
where:
bonds (distance) C4'-P energy: -33.923
bonds (distance) P-C4' energy: -24.270
flat angles C4'-P-C4' energy: -34.213
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: -31.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -423.824456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.824456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.824456 (E_RNA)
where:
Base-Base interactions energy: -287.846
where: short stacking energy: -139.152
Base-Backbone interact. energy: 0.098
local terms energy: -136.076292
where:
bonds (distance) C4'-P energy: -23.037
bonds (distance) P-C4' energy: -28.178
flat angles C4'-P-C4' energy: -28.707
flat angles P-C4'-P energy: -19.774
tors. eta vs tors. theta energy: -36.381
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: 9, replica: 1
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -344.571253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.571253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.571253 (E_RNA)
where:
Base-Base interactions energy: -217.207
where: short stacking energy: -104.377
Base-Backbone interact. energy: -1.258
local terms energy: -126.106548
where:
bonds (distance) C4'-P energy: -25.671
bonds (distance) P-C4' energy: -29.774
flat angles C4'-P-C4' energy: -30.385
flat angles P-C4'-P energy: -22.060
tors. eta vs tors. theta energy: -18.217
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: 3
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -268.334193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.334193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.334193 (E_RNA)
where:
Base-Base interactions energy: -172.508
where: short stacking energy: -64.784
Base-Backbone interact. energy: 1.070
local terms energy: -96.896811
where:
bonds (distance) C4'-P energy: -27.883
bonds (distance) P-C4' energy: -21.723
flat angles C4'-P-C4' energy: -26.551
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -9.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -614.034466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.034466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.034466 (E_RNA)
where:
Base-Base interactions energy: -437.336
where: short stacking energy: -188.638
Base-Backbone interact. energy: 0.400
local terms energy: -177.097944
where:
bonds (distance) C4'-P energy: -36.769
bonds (distance) P-C4' energy: -31.517
flat angles C4'-P-C4' energy: -40.195
flat angles P-C4'-P energy: -21.769
tors. eta vs tors. theta energy: -46.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -572.290293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.290293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.290293 (E_RNA)
where:
Base-Base interactions energy: -401.994
where: short stacking energy: -179.967
Base-Backbone interact. energy: -1.276
local terms energy: -169.020121
where:
bonds (distance) C4'-P energy: -27.890
bonds (distance) P-C4' energy: -33.816
flat angles C4'-P-C4' energy: -32.888
flat angles P-C4'-P energy: -23.668
tors. eta vs tors. theta energy: -50.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -563.307336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.307336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.307336 (E_RNA)
where:
Base-Base interactions energy: -390.153
where: short stacking energy: -174.544
Base-Backbone interact. energy: 4.038
local terms energy: -177.192936
where:
bonds (distance) C4'-P energy: -29.093
bonds (distance) P-C4' energy: -35.669
flat angles C4'-P-C4' energy: -35.613
flat angles P-C4'-P energy: -26.307
tors. eta vs tors. theta energy: -50.511
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: 6
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -556.792091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.792091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.792091 (E_RNA)
where:
Base-Base interactions energy: -380.916
where: short stacking energy: -173.771
Base-Backbone interact. energy: -0.655
local terms energy: -175.221220
where:
bonds (distance) C4'-P energy: -29.615
bonds (distance) P-C4' energy: -32.780
flat angles C4'-P-C4' energy: -33.032
flat angles P-C4'-P energy: -28.152
tors. eta vs tors. theta energy: -51.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -524.173468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.173468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.173468 (E_RNA)
where:
Base-Base interactions energy: -373.294
where: short stacking energy: -155.811
Base-Backbone interact. energy: -0.742
local terms energy: -150.137426
where:
bonds (distance) C4'-P energy: -28.514
bonds (distance) P-C4' energy: -28.976
flat angles C4'-P-C4' energy: -34.300
flat angles P-C4'-P energy: -15.445
tors. eta vs tors. theta energy: -42.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -507.533928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.533928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.533928 (E_RNA)
where:
Base-Base interactions energy: -344.713
where: short stacking energy: -155.259
Base-Backbone interact. energy: -0.472
local terms energy: -162.349358
where:
bonds (distance) C4'-P energy: -30.009
bonds (distance) P-C4' energy: -32.526
flat angles C4'-P-C4' energy: -33.080
flat angles P-C4'-P energy: -16.803
tors. eta vs tors. theta energy: -49.931
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: 7, replica: 10
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -495.410864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.410864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.410864 (E_RNA)
where:
Base-Base interactions energy: -353.872
where: short stacking energy: -145.230
Base-Backbone interact. energy: -0.266
local terms energy: -141.272896
where:
bonds (distance) C4'-P energy: -26.217
bonds (distance) P-C4' energy: -23.870
flat angles C4'-P-C4' energy: -28.279
flat angles P-C4'-P energy: -22.648
tors. eta vs tors. theta energy: -40.260
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: 4
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -439.950880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.950880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.950880 (E_RNA)
where:
Base-Base interactions energy: -313.808
where: short stacking energy: -147.890
Base-Backbone interact. energy: -0.110
local terms energy: -126.032584
where:
bonds (distance) C4'-P energy: -18.684
bonds (distance) P-C4' energy: -29.750
flat angles C4'-P-C4' energy: -25.251
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -38.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -344.236085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.236085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.236085 (E_RNA)
where:
Base-Base interactions energy: -231.832
where: short stacking energy: -113.539
Base-Backbone interact. energy: -1.055
local terms energy: -111.349220
where:
bonds (distance) C4'-P energy: -27.505
bonds (distance) P-C4' energy: -18.869
flat angles C4'-P-C4' energy: -29.474
flat angles P-C4'-P energy: -16.166
tors. eta vs tors. theta energy: -19.336
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: 3
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -290.820645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.820645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.820645 (E_RNA)
where:
Base-Base interactions energy: -177.614
where: short stacking energy: -85.714
Base-Backbone interact. energy: -0.694
local terms energy: -112.512470
where:
bonds (distance) C4'-P energy: -25.838
bonds (distance) P-C4' energy: -27.723
flat angles C4'-P-C4' energy: -28.018
flat angles P-C4'-P energy: -6.563
tors. eta vs tors. theta energy: -24.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -610.920660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.920660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.920660 (E_RNA)
where:
Base-Base interactions energy: -440.097
where: short stacking energy: -184.118
Base-Backbone interact. energy: 1.395
local terms energy: -172.219249
where:
bonds (distance) C4'-P energy: -32.659
bonds (distance) P-C4' energy: -29.639
flat angles C4'-P-C4' energy: -38.391
flat angles P-C4'-P energy: -23.791
tors. eta vs tors. theta energy: -47.739
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: 8
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -579.043952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.043952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.043952 (E_RNA)
where:
Base-Base interactions energy: -392.943
where: short stacking energy: -169.798
Base-Backbone interact. energy: -0.199
local terms energy: -185.902601
where:
bonds (distance) C4'-P energy: -36.592
bonds (distance) P-C4' energy: -31.204
flat angles C4'-P-C4' energy: -38.076
flat angles P-C4'-P energy: -28.502
tors. eta vs tors. theta energy: -51.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -556.344712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.344712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.344712 (E_RNA)
where:
Base-Base interactions energy: -383.470
where: short stacking energy: -173.185
Base-Backbone interact. energy: -0.542
local terms energy: -172.332470
where:
bonds (distance) C4'-P energy: -28.978
bonds (distance) P-C4' energy: -27.779
flat angles C4'-P-C4' energy: -41.220
flat angles P-C4'-P energy: -23.405
tors. eta vs tors. theta energy: -50.952
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: 9
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -553.566980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.566980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.566980 (E_RNA)
where:
Base-Base interactions energy: -386.395
where: short stacking energy: -159.060
Base-Backbone interact. energy: -0.101
local terms energy: -167.070902
where:
bonds (distance) C4'-P energy: -34.432
bonds (distance) P-C4' energy: -27.832
flat angles C4'-P-C4' energy: -36.046
flat angles P-C4'-P energy: -23.051
tors. eta vs tors. theta energy: -45.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -525.214886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.214886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.214886 (E_RNA)
where:
Base-Base interactions energy: -373.882
where: short stacking energy: -146.377
Base-Backbone interact. energy: -0.183
local terms energy: -151.150321
where:
bonds (distance) C4'-P energy: -27.647
bonds (distance) P-C4' energy: -28.843
flat angles C4'-P-C4' energy: -33.666
flat angles P-C4'-P energy: -17.096
tors. eta vs tors. theta energy: -43.898
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: 6, replica: 5
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -521.190732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.190732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.190732 (E_RNA)
where:
Base-Base interactions energy: -369.880
where: short stacking energy: -164.532
Base-Backbone interact. energy: -0.349
local terms energy: -150.960831
where:
bonds (distance) C4'-P energy: -23.782
bonds (distance) P-C4' energy: -28.371
flat angles C4'-P-C4' energy: -26.599
flat angles P-C4'-P energy: -25.652
tors. eta vs tors. theta energy: -46.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -464.142017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.142017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.142017 (E_RNA)
where:
Base-Base interactions energy: -317.190
where: short stacking energy: -133.153
Base-Backbone interact. energy: -0.079
local terms energy: -146.872197
where:
bonds (distance) C4'-P energy: -32.275
bonds (distance) P-C4' energy: -27.423
flat angles C4'-P-C4' energy: -34.683
flat angles P-C4'-P energy: -19.661
tors. eta vs tors. theta energy: -32.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -447.418544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.418544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.418544 (E_RNA)
where:
Base-Base interactions energy: -317.855
where: short stacking energy: -139.907
Base-Backbone interact. energy: 0.161
local terms energy: -129.723763
where:
bonds (distance) C4'-P energy: -24.713
bonds (distance) P-C4' energy: -26.542
flat angles C4'-P-C4' energy: -26.212
flat angles P-C4'-P energy: -20.905
tors. eta vs tors. theta energy: -31.352
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: 1
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -384.931066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.931066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.931066 (E_RNA)
where:
Base-Base interactions energy: -261.328
where: short stacking energy: -121.539
Base-Backbone interact. energy: -0.249
local terms energy: -123.354384
where:
bonds (distance) C4'-P energy: -20.503
bonds (distance) P-C4' energy: -28.913
flat angles C4'-P-C4' energy: -29.979
flat angles P-C4'-P energy: -22.626
tors. eta vs tors. theta energy: -21.333
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: 3
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -290.942880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.942880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.942880 (E_RNA)
where:
Base-Base interactions energy: -168.758
where: short stacking energy: -72.783
Base-Backbone interact. energy: -0.210
local terms energy: -121.974860
where:
bonds (distance) C4'-P energy: -31.113
bonds (distance) P-C4' energy: -31.053
flat angles C4'-P-C4' energy: -20.816
flat angles P-C4'-P energy: -22.590
tors. eta vs tors. theta energy: -16.404
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: 2
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -608.875031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.875031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.875031 (E_RNA)
where:
Base-Base interactions energy: -436.006
where: short stacking energy: -176.686
Base-Backbone interact. energy: -0.788
local terms energy: -172.081039
where:
bonds (distance) C4'-P energy: -28.927
bonds (distance) P-C4' energy: -34.209
flat angles C4'-P-C4' energy: -32.270
flat angles P-C4'-P energy: -27.437
tors. eta vs tors. theta energy: -49.238
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: 6
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -548.439117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.439117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.439117 (E_RNA)
where:
Base-Base interactions energy: -377.267
where: short stacking energy: -180.108
Base-Backbone interact. energy: -0.038
local terms energy: -171.134781
where:
bonds (distance) C4'-P energy: -23.060
bonds (distance) P-C4' energy: -33.760
flat angles C4'-P-C4' energy: -32.190
flat angles P-C4'-P energy: -28.149
tors. eta vs tors. theta energy: -53.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -561.610741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.610741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.610741 (E_RNA)
where:
Base-Base interactions energy: -387.070
where: short stacking energy: -176.239
Base-Backbone interact. energy: -0.593
local terms energy: -173.947688
where:
bonds (distance) C4'-P energy: -23.175
bonds (distance) P-C4' energy: -37.130
flat angles C4'-P-C4' energy: -35.383
flat angles P-C4'-P energy: -25.077
tors. eta vs tors. theta energy: -53.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -543.241411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.241411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.241411 (E_RNA)
where:
Base-Base interactions energy: -397.516
where: short stacking energy: -162.236
Base-Backbone interact. energy: -0.185
local terms energy: -145.541179
where:
bonds (distance) C4'-P energy: -27.365
bonds (distance) P-C4' energy: -29.137
flat angles C4'-P-C4' energy: -25.752
flat angles P-C4'-P energy: -18.460
tors. eta vs tors. theta energy: -44.827
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: 9
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -545.456880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.456880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.456880 (E_RNA)
where:
Base-Base interactions energy: -388.550
where: short stacking energy: -156.652
Base-Backbone interact. energy: -0.202
local terms energy: -156.704992
where:
bonds (distance) C4'-P energy: -32.300
bonds (distance) P-C4' energy: -26.855
flat angles C4'-P-C4' energy: -34.625
flat angles P-C4'-P energy: -16.728
tors. eta vs tors. theta energy: -46.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -512.772252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.772252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.772252 (E_RNA)
where:
Base-Base interactions energy: -352.231
where: short stacking energy: -157.167
Base-Backbone interact. energy: -0.240
local terms energy: -160.300706
where:
bonds (distance) C4'-P energy: -24.761
bonds (distance) P-C4' energy: -30.496
flat angles C4'-P-C4' energy: -35.811
flat angles P-C4'-P energy: -23.658
tors. eta vs tors. theta energy: -45.574
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: 7, replica: 10
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -427.604109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.604109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.604109 (E_RNA)
where:
Base-Base interactions energy: -298.426
where: short stacking energy: -129.587
Base-Backbone interact. energy: -2.828
local terms energy: -126.349945
where:
bonds (distance) C4'-P energy: -21.863
bonds (distance) P-C4' energy: -25.984
flat angles C4'-P-C4' energy: -27.946
flat angles P-C4'-P energy: -20.137
tors. eta vs tors. theta energy: -30.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -447.580429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.580429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.580429 (E_RNA)
where:
Base-Base interactions energy: -297.943
where: short stacking energy: -140.129
Base-Backbone interact. energy: -0.829
local terms energy: -148.808549
where:
bonds (distance) C4'-P energy: -31.432
bonds (distance) P-C4' energy: -32.006
flat angles C4'-P-C4' energy: -27.947
flat angles P-C4'-P energy: -24.051
tors. eta vs tors. theta energy: -33.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -394.145762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.145762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.145762 (E_RNA)
where:
Base-Base interactions energy: -280.977
where: short stacking energy: -101.642
Base-Backbone interact. energy: 0.001
local terms energy: -113.169056
where:
bonds (distance) C4'-P energy: -25.686
bonds (distance) P-C4' energy: -21.524
flat angles C4'-P-C4' energy: -31.539
flat angles P-C4'-P energy: -17.660
tors. eta vs tors. theta energy: -16.761
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: 3
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -252.065002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.065002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.065002 (E_RNA)
where:
Base-Base interactions energy: -147.729
where: short stacking energy: -71.622
Base-Backbone interact. energy: -0.900
local terms energy: -103.436380
where:
bonds (distance) C4'-P energy: -25.234
bonds (distance) P-C4' energy: -26.991
flat angles C4'-P-C4' energy: -27.925
flat angles P-C4'-P energy: -15.105
tors. eta vs tors. theta energy: -8.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -574.442021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.442021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.442021 (E_RNA)
where:
Base-Base interactions energy: -391.518
where: short stacking energy: -182.276
Base-Backbone interact. energy: -0.004
local terms energy: -182.920487
where:
bonds (distance) C4'-P energy: -30.733
bonds (distance) P-C4' energy: -34.008
flat angles C4'-P-C4' energy: -37.669
flat angles P-C4'-P energy: -24.577
tors. eta vs tors. theta energy: -55.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -597.517739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.517739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.517739 (E_RNA)
where:
Base-Base interactions energy: -425.380
where: short stacking energy: -176.765
Base-Backbone interact. energy: -0.217
local terms energy: -171.920151
where:
bonds (distance) C4'-P energy: -31.478
bonds (distance) P-C4' energy: -32.819
flat angles C4'-P-C4' energy: -35.636
flat angles P-C4'-P energy: -26.330
tors. eta vs tors. theta energy: -45.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -566.527350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.527350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.527350 (E_RNA)
where:
Base-Base interactions energy: -396.960
where: short stacking energy: -180.097
Base-Backbone interact. energy: 1.159
local terms energy: -170.726594
where:
bonds (distance) C4'-P energy: -29.973
bonds (distance) P-C4' energy: -30.804
flat angles C4'-P-C4' energy: -34.447
flat angles P-C4'-P energy: -24.153
tors. eta vs tors. theta energy: -51.349
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: 7
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -521.876986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.876986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.876986 (E_RNA)
where:
Base-Base interactions energy: -361.477
where: short stacking energy: -157.868
Base-Backbone interact. energy: -1.833
local terms energy: -158.567015
where:
bonds (distance) C4'-P energy: -30.770
bonds (distance) P-C4' energy: -34.140
flat angles C4'-P-C4' energy: -27.535
flat angles P-C4'-P energy: -23.055
tors. eta vs tors. theta energy: -43.067
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: 9
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -550.890681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.890681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.890681 (E_RNA)
where:
Base-Base interactions energy: -391.329
where: short stacking energy: -150.640
Base-Backbone interact. energy: 1.359
local terms energy: -160.921363
where:
bonds (distance) C4'-P energy: -31.019
bonds (distance) P-C4' energy: -32.234
flat angles C4'-P-C4' energy: -34.007
flat angles P-C4'-P energy: -23.930
tors. eta vs tors. theta energy: -39.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -518.929335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.929335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.929335 (E_RNA)
where:
Base-Base interactions energy: -368.075
where: short stacking energy: -145.365
Base-Backbone interact. energy: -0.495
local terms energy: -150.359696
where:
bonds (distance) C4'-P energy: -19.088
bonds (distance) P-C4' energy: -32.591
flat angles C4'-P-C4' energy: -35.452
flat angles P-C4'-P energy: -20.740
tors. eta vs tors. theta energy: -42.487
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: 4
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -459.171075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.171075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.171075 (E_RNA)
where:
Base-Base interactions energy: -328.522
where: short stacking energy: -141.050
Base-Backbone interact. energy: -0.453
local terms energy: -130.196196
where:
bonds (distance) C4'-P energy: -20.553
bonds (distance) P-C4' energy: -26.315
flat angles C4'-P-C4' energy: -28.705
flat angles P-C4'-P energy: -15.783
tors. eta vs tors. theta energy: -38.839
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: 10
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -453.894695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.894695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.894695 (E_RNA)
where:
Base-Base interactions energy: -311.427
where: short stacking energy: -136.344
Base-Backbone interact. energy: -1.377
local terms energy: -141.090981
where:
bonds (distance) C4'-P energy: -21.787
bonds (distance) P-C4' energy: -24.165
flat angles C4'-P-C4' energy: -34.385
flat angles P-C4'-P energy: -24.977
tors. eta vs tors. theta energy: -35.777
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: 1
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -361.052202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.052202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.052202 (E_RNA)
where:
Base-Base interactions energy: -243.333
where: short stacking energy: -97.169
Base-Backbone interact. energy: -1.112
local terms energy: -116.607398
where:
bonds (distance) C4'-P energy: -27.828
bonds (distance) P-C4' energy: -31.160
flat angles C4'-P-C4' energy: -19.105
flat angles P-C4'-P energy: -14.947
tors. eta vs tors. theta energy: -23.567
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: 3
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -265.436389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.436389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.436389 (E_RNA)
where:
Base-Base interactions energy: -151.215
where: short stacking energy: -76.326
Base-Backbone interact. energy: -1.446
local terms energy: -112.775223
where:
bonds (distance) C4'-P energy: -26.544
bonds (distance) P-C4' energy: -31.712
flat angles C4'-P-C4' energy: -26.517
flat angles P-C4'-P energy: -21.518
tors. eta vs tors. theta energy: -6.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -562.710332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.710332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.710332 (E_RNA)
where:
Base-Base interactions energy: -386.798
where: short stacking energy: -183.660
Base-Backbone interact. energy: -1.449
local terms energy: -174.463665
where:
bonds (distance) C4'-P energy: -32.109
bonds (distance) P-C4' energy: -28.802
flat angles C4'-P-C4' energy: -37.118
flat angles P-C4'-P energy: -25.776
tors. eta vs tors. theta energy: -50.659
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: 2
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -588.751305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.751305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.751305 (E_RNA)
where:
Base-Base interactions energy: -420.800
where: short stacking energy: -158.990
Base-Backbone interact. energy: -0.683
local terms energy: -167.268844
where:
bonds (distance) C4'-P energy: -28.243
bonds (distance) P-C4' energy: -34.184
flat angles C4'-P-C4' energy: -36.647
flat angles P-C4'-P energy: -27.892
tors. eta vs tors. theta energy: -40.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -576.651966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.651966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.651966 (E_RNA)
where:
Base-Base interactions energy: -409.564
where: short stacking energy: -170.365
Base-Backbone interact. energy: -1.363
local terms energy: -165.724715
where:
bonds (distance) C4'-P energy: -27.145
bonds (distance) P-C4' energy: -33.302
flat angles C4'-P-C4' energy: -35.527
flat angles P-C4'-P energy: -21.158
tors. eta vs tors. theta energy: -48.593
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: 9
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -549.358787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.358787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.358787 (E_RNA)
where:
Base-Base interactions energy: -394.535
where: short stacking energy: -159.403
Base-Backbone interact. energy: -0.399
local terms energy: -154.424942
where:
bonds (distance) C4'-P energy: -29.735
bonds (distance) P-C4' energy: -29.077
flat angles C4'-P-C4' energy: -27.204
flat angles P-C4'-P energy: -28.199
tors. eta vs tors. theta energy: -40.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -511.240062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.240062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.240062 (E_RNA)
where:
Base-Base interactions energy: -356.493
where: short stacking energy: -163.267
Base-Backbone interact. energy: 2.055
local terms energy: -156.801590
where:
bonds (distance) C4'-P energy: -34.399
bonds (distance) P-C4' energy: -28.819
flat angles C4'-P-C4' energy: -33.235
flat angles P-C4'-P energy: -17.956
tors. eta vs tors. theta energy: -42.392
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: 6, replica: 5
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -512.783295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.783295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.783295 (E_RNA)
where:
Base-Base interactions energy: -360.123
where: short stacking energy: -143.251
Base-Backbone interact. energy: 0.427
local terms energy: -153.086853
where:
bonds (distance) C4'-P energy: -32.002
bonds (distance) P-C4' energy: -31.694
flat angles C4'-P-C4' energy: -28.706
flat angles P-C4'-P energy: -20.917
tors. eta vs tors. theta energy: -39.768
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: 4
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -418.454996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.454996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.454996 (E_RNA)
where:
Base-Base interactions energy: -287.177
where: short stacking energy: -120.405
Base-Backbone interact. energy: 0.125
local terms energy: -131.403294
where:
bonds (distance) C4'-P energy: -26.496
bonds (distance) P-C4' energy: -23.966
flat angles C4'-P-C4' energy: -32.113
flat angles P-C4'-P energy: -21.901
tors. eta vs tors. theta energy: -26.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -365.549002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.549002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.549002 (E_RNA)
where:
Base-Base interactions energy: -238.928
where: short stacking energy: -105.682
Base-Backbone interact. energy: -0.331
local terms energy: -126.290010
where:
bonds (distance) C4'-P energy: -27.142
bonds (distance) P-C4' energy: -28.765
flat angles C4'-P-C4' energy: -30.901
flat angles P-C4'-P energy: -18.530
tors. eta vs tors. theta energy: -20.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -418.458901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.458901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.458901 (E_RNA)
where:
Base-Base interactions energy: -289.919
where: short stacking energy: -128.036
Base-Backbone interact. energy: 0.491
local terms energy: -129.030109
where:
bonds (distance) C4'-P energy: -28.645
bonds (distance) P-C4' energy: -22.010
flat angles C4'-P-C4' energy: -29.378
flat angles P-C4'-P energy: -20.327
tors. eta vs tors. theta energy: -28.670
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: 3
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -348.914513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.914513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.914513 (E_RNA)
where:
Base-Base interactions energy: -227.227
where: short stacking energy: -109.005
Base-Backbone interact. energy: -0.236
local terms energy: -121.450890
where:
bonds (distance) C4'-P energy: -23.011
bonds (distance) P-C4' energy: -34.188
flat angles C4'-P-C4' energy: -29.520
flat angles P-C4'-P energy: -14.092
tors. eta vs tors. theta energy: -20.640
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: 2
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -614.601815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.601815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.601815 (E_RNA)
where:
Base-Base interactions energy: -435.274
where: short stacking energy: -180.212
Base-Backbone interact. energy: 0.250
local terms energy: -179.577842
where:
bonds (distance) C4'-P energy: -29.684
bonds (distance) P-C4' energy: -35.367
flat angles C4'-P-C4' energy: -37.775
flat angles P-C4'-P energy: -27.928
tors. eta vs tors. theta energy: -48.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -556.139492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.139492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.139492 (E_RNA)
where:
Base-Base interactions energy: -379.165
where: short stacking energy: -181.374
Base-Backbone interact. energy: -0.394
local terms energy: -176.580676
where:
bonds (distance) C4'-P energy: -35.755
bonds (distance) P-C4' energy: -31.190
flat angles C4'-P-C4' energy: -34.760
flat angles P-C4'-P energy: -23.941
tors. eta vs tors. theta energy: -50.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -572.162573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.162573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.162573 (E_RNA)
where:
Base-Base interactions energy: -395.871
where: short stacking energy: -167.222
Base-Backbone interact. energy: -0.708
local terms energy: -175.583850
where:
bonds (distance) C4'-P energy: -34.424
bonds (distance) P-C4' energy: -33.106
flat angles C4'-P-C4' energy: -35.145
flat angles P-C4'-P energy: -22.723
tors. eta vs tors. theta energy: -50.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -550.660606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.660606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.660606 (E_RNA)
where:
Base-Base interactions energy: -374.418
where: short stacking energy: -153.724
Base-Backbone interact. energy: -0.982
local terms energy: -175.259752
where:
bonds (distance) C4'-P energy: -31.156
bonds (distance) P-C4' energy: -37.529
flat angles C4'-P-C4' energy: -34.954
flat angles P-C4'-P energy: -26.717
tors. eta vs tors. theta energy: -44.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -532.125002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.125002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.125002 (E_RNA)
where:
Base-Base interactions energy: -368.179
where: short stacking energy: -173.248
Base-Backbone interact. energy: 0.759
local terms energy: -164.704626
where:
bonds (distance) C4'-P energy: -25.728
bonds (distance) P-C4' energy: -32.110
flat angles C4'-P-C4' energy: -34.658
flat angles P-C4'-P energy: -25.620
tors. eta vs tors. theta energy: -46.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -497.864349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.864349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.864349 (E_RNA)
where:
Base-Base interactions energy: -351.137
where: short stacking energy: -153.042
Base-Backbone interact. energy: -0.206
local terms energy: -146.520896
where:
bonds (distance) C4'-P energy: -22.691
bonds (distance) P-C4' energy: -23.765
flat angles C4'-P-C4' energy: -36.995
flat angles P-C4'-P energy: -21.627
tors. eta vs tors. theta energy: -41.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -415.219066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.219066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.219066 (E_RNA)
where:
Base-Base interactions energy: -283.799
where: short stacking energy: -123.151
Base-Backbone interact. energy: -1.696
local terms energy: -129.723991
where:
bonds (distance) C4'-P energy: -25.780
bonds (distance) P-C4' energy: -21.568
flat angles C4'-P-C4' energy: -30.985
flat angles P-C4'-P energy: -23.515
tors. eta vs tors. theta energy: -27.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -379.554518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.554518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.554518 (E_RNA)
where:
Base-Base interactions energy: -249.230
where: short stacking energy: -124.731
Base-Backbone interact. energy: -1.435
local terms energy: -128.889535
where:
bonds (distance) C4'-P energy: -32.730
bonds (distance) P-C4' energy: -26.114
flat angles C4'-P-C4' energy: -28.328
flat angles P-C4'-P energy: -14.825
tors. eta vs tors. theta energy: -26.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -424.321746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.321746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.321746 (E_RNA)
where:
Base-Base interactions energy: -286.847
where: short stacking energy: -127.041
Base-Backbone interact. energy: 0.462
local terms energy: -137.937001
where:
bonds (distance) C4'-P energy: -26.429
bonds (distance) P-C4' energy: -26.762
flat angles C4'-P-C4' energy: -33.892
flat angles P-C4'-P energy: -20.288
tors. eta vs tors. theta energy: -30.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -320.029524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.029524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.029524 (E_RNA)
where:
Base-Base interactions energy: -208.184
where: short stacking energy: -98.538
Base-Backbone interact. energy: -0.302
local terms energy: -111.544129
where:
bonds (distance) C4'-P energy: -28.098
bonds (distance) P-C4' energy: -17.948
flat angles C4'-P-C4' energy: -27.066
flat angles P-C4'-P energy: -19.527
tors. eta vs tors. theta energy: -18.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -611.367445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.367445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.367445 (E_RNA)
where:
Base-Base interactions energy: -442.904
where: short stacking energy: -180.617
Base-Backbone interact. energy: 0.214
local terms energy: -168.676779
where:
bonds (distance) C4'-P energy: -30.212
bonds (distance) P-C4' energy: -32.640
flat angles C4'-P-C4' energy: -35.882
flat angles P-C4'-P energy: -25.121
tors. eta vs tors. theta energy: -44.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -576.833917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.833917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.833917 (E_RNA)
where:
Base-Base interactions energy: -402.301
where: short stacking energy: -163.409
Base-Backbone interact. energy: -0.887
local terms energy: -173.645225
where:
bonds (distance) C4'-P energy: -27.340
bonds (distance) P-C4' energy: -35.815
flat angles C4'-P-C4' energy: -34.177
flat angles P-C4'-P energy: -25.656
tors. eta vs tors. theta energy: -50.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -538.556929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.556929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.556929 (E_RNA)
where:
Base-Base interactions energy: -377.646
where: short stacking energy: -170.629
Base-Backbone interact. energy: -0.608
local terms energy: -160.302642
where:
bonds (distance) C4'-P energy: -22.987
bonds (distance) P-C4' energy: -30.489
flat angles C4'-P-C4' energy: -36.390
flat angles P-C4'-P energy: -22.528
tors. eta vs tors. theta energy: -47.908
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: 8
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -555.703743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.703743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.703743 (E_RNA)
where:
Base-Base interactions energy: -385.952
where: short stacking energy: -156.138
Base-Backbone interact. energy: -0.303
local terms energy: -169.449569
where:
bonds (distance) C4'-P energy: -32.349
bonds (distance) P-C4' energy: -34.740
flat angles C4'-P-C4' energy: -33.503
flat angles P-C4'-P energy: -21.248
tors. eta vs tors. theta energy: -47.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -530.932612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.932612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.932612 (E_RNA)
where:
Base-Base interactions energy: -381.656
where: short stacking energy: -164.934
Base-Backbone interact. energy: -0.188
local terms energy: -149.088342
where:
bonds (distance) C4'-P energy: -23.877
bonds (distance) P-C4' energy: -23.631
flat angles C4'-P-C4' energy: -30.039
flat angles P-C4'-P energy: -23.884
tors. eta vs tors. theta energy: -47.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -517.259453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.259453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.259453 (E_RNA)
where:
Base-Base interactions energy: -359.172
where: short stacking energy: -162.202
Base-Backbone interact. energy: -0.303
local terms energy: -157.784952
where:
bonds (distance) C4'-P energy: -23.809
bonds (distance) P-C4' energy: -33.194
flat angles C4'-P-C4' energy: -35.238
flat angles P-C4'-P energy: -21.224
tors. eta vs tors. theta energy: -44.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -404.943902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.943902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.943902 (E_RNA)
where:
Base-Base interactions energy: -287.510
where: short stacking energy: -135.379
Base-Backbone interact. energy: -0.265
local terms energy: -117.168533
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -24.494
flat angles C4'-P-C4' energy: -33.785
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -30.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -438.022973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.022973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.022973 (E_RNA)
where:
Base-Base interactions energy: -313.167
where: short stacking energy: -131.040
Base-Backbone interact. energy: -0.275
local terms energy: -124.580886
where:
bonds (distance) C4'-P energy: -21.395
bonds (distance) P-C4' energy: -31.262
flat angles C4'-P-C4' energy: -25.260
flat angles P-C4'-P energy: -16.558
tors. eta vs tors. theta energy: -30.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -361.961604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.961604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.961604 (E_RNA)
where:
Base-Base interactions energy: -244.395
where: short stacking energy: -120.537
Base-Backbone interact. energy: -0.810
local terms energy: -116.756514
where:
bonds (distance) C4'-P energy: -29.213
bonds (distance) P-C4' energy: -24.996
flat angles C4'-P-C4' energy: -26.135
flat angles P-C4'-P energy: -16.418
tors. eta vs tors. theta energy: -19.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -285.002283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.002283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.002283 (E_RNA)
where:
Base-Base interactions energy: -182.793
where: short stacking energy: -79.168
Base-Backbone interact. energy: -0.581
local terms energy: -101.628075
where:
bonds (distance) C4'-P energy: -29.812
bonds (distance) P-C4' energy: -22.855
flat angles C4'-P-C4' energy: -22.948
flat angles P-C4'-P energy: -18.979
tors. eta vs tors. theta energy: -7.034
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: 2
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -601.411610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.411610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.411610 (E_RNA)
where:
Base-Base interactions energy: -423.291
where: short stacking energy: -157.803
Base-Backbone interact. energy: -0.988
local terms energy: -177.132856
where:
bonds (distance) C4'-P energy: -34.639
bonds (distance) P-C4' energy: -37.390
flat angles C4'-P-C4' energy: -35.730
flat angles P-C4'-P energy: -27.191
tors. eta vs tors. theta energy: -42.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -567.479202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.479202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.479202 (E_RNA)
where:
Base-Base interactions energy: -398.736
where: short stacking energy: -157.956
Base-Backbone interact. energy: -0.924
local terms energy: -167.819477
where:
bonds (distance) C4'-P energy: -33.790
bonds (distance) P-C4' energy: -26.426
flat angles C4'-P-C4' energy: -36.823
flat angles P-C4'-P energy: -24.186
tors. eta vs tors. theta energy: -46.594
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: 8
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -563.783891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.783891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.783891 (E_RNA)
where:
Base-Base interactions energy: -397.273
where: short stacking energy: -182.156
Base-Backbone interact. energy: -0.306
local terms energy: -166.205416
where:
bonds (distance) C4'-P energy: -24.105
bonds (distance) P-C4' energy: -32.369
flat angles C4'-P-C4' energy: -33.720
flat angles P-C4'-P energy: -26.478
tors. eta vs tors. theta energy: -49.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -540.631617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.631617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.631617 (E_RNA)
where:
Base-Base interactions energy: -369.867
where: short stacking energy: -171.101
Base-Backbone interact. energy: -0.307
local terms energy: -170.457797
where:
bonds (distance) C4'-P energy: -30.628
bonds (distance) P-C4' energy: -31.856
flat angles C4'-P-C4' energy: -34.014
flat angles P-C4'-P energy: -21.444
tors. eta vs tors. theta energy: -52.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -546.264096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.264096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.264096 (E_RNA)
where:
Base-Base interactions energy: -386.531
where: short stacking energy: -166.174
Base-Backbone interact. energy: -1.754
local terms energy: -157.979597
where:
bonds (distance) C4'-P energy: -24.778
bonds (distance) P-C4' energy: -30.619
flat angles C4'-P-C4' energy: -33.488
flat angles P-C4'-P energy: -22.959
tors. eta vs tors. theta energy: -46.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -524.592306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.592306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.592306 (E_RNA)
where:
Base-Base interactions energy: -368.456
where: short stacking energy: -163.720
Base-Backbone interact. energy: 1.441
local terms energy: -157.577611
where:
bonds (distance) C4'-P energy: -26.745
bonds (distance) P-C4' energy: -26.468
flat angles C4'-P-C4' energy: -35.076
flat angles P-C4'-P energy: -23.507
tors. eta vs tors. theta energy: -45.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -445.840524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.840524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.840524 (E_RNA)
where:
Base-Base interactions energy: -312.052
where: short stacking energy: -137.877
Base-Backbone interact. energy: -0.227
local terms energy: -133.561553
where:
bonds (distance) C4'-P energy: -24.724
bonds (distance) P-C4' energy: -26.305
flat angles C4'-P-C4' energy: -30.437
flat angles P-C4'-P energy: -18.381
tors. eta vs tors. theta energy: -33.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -377.976070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.976070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.976070 (E_RNA)
where:
Base-Base interactions energy: -252.474
where: short stacking energy: -111.620
Base-Backbone interact. energy: -0.421
local terms energy: -125.081446
where:
bonds (distance) C4'-P energy: -25.262
bonds (distance) P-C4' energy: -32.107
flat angles C4'-P-C4' energy: -27.081
flat angles P-C4'-P energy: -21.040
tors. eta vs tors. theta energy: -19.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -371.383900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.383900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.383900 (E_RNA)
where:
Base-Base interactions energy: -242.958
where: short stacking energy: -104.514
Base-Backbone interact. energy: -0.408
local terms energy: -128.018148
where:
bonds (distance) C4'-P energy: -24.026
bonds (distance) P-C4' energy: -31.352
flat angles C4'-P-C4' energy: -32.156
flat angles P-C4'-P energy: -18.245
tors. eta vs tors. theta energy: -22.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -321.832909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.832909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.832909 (E_RNA)
where:
Base-Base interactions energy: -229.135
where: short stacking energy: -87.424
Base-Backbone interact. energy: -1.015
local terms energy: -91.683173
where:
bonds (distance) C4'-P energy: -29.247
bonds (distance) P-C4' energy: -21.735
flat angles C4'-P-C4' energy: -24.268
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -8.353
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: 2
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -601.001425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.001425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.001425 (E_RNA)
where:
Base-Base interactions energy: -422.806
where: short stacking energy: -176.288
Base-Backbone interact. energy: 0.638
local terms energy: -178.833454
where:
bonds (distance) C4'-P energy: -36.948
bonds (distance) P-C4' energy: -31.490
flat angles C4'-P-C4' energy: -37.497
flat angles P-C4'-P energy: -23.696
tors. eta vs tors. theta energy: -49.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -587.323653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.323653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.323653 (E_RNA)
where:
Base-Base interactions energy: -411.609
where: short stacking energy: -177.206
Base-Backbone interact. energy: -1.241
local terms energy: -174.472949
where:
bonds (distance) C4'-P energy: -32.716
bonds (distance) P-C4' energy: -27.444
flat angles C4'-P-C4' energy: -33.056
flat angles P-C4'-P energy: -27.630
tors. eta vs tors. theta energy: -53.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -557.404421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.404421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.404421 (E_RNA)
where:
Base-Base interactions energy: -389.691
where: short stacking energy: -162.932
Base-Backbone interact. energy: -1.265
local terms energy: -166.448167
where:
bonds (distance) C4'-P energy: -31.599
bonds (distance) P-C4' energy: -33.750
flat angles C4'-P-C4' energy: -37.008
flat angles P-C4'-P energy: -19.100
tors. eta vs tors. theta energy: -44.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -547.140136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.140136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.140136 (E_RNA)
where:
Base-Base interactions energy: -385.835
where: short stacking energy: -170.744
Base-Backbone interact. energy: -0.533
local terms energy: -160.772365
where:
bonds (distance) C4'-P energy: -34.644
bonds (distance) P-C4' energy: -23.349
flat angles C4'-P-C4' energy: -34.838
flat angles P-C4'-P energy: -18.546
tors. eta vs tors. theta energy: -49.397
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: 6
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -522.770402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.770402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.770402 (E_RNA)
where:
Base-Base interactions energy: -351.478
where: short stacking energy: -160.043
Base-Backbone interact. energy: 1.722
local terms energy: -173.014236
where:
bonds (distance) C4'-P energy: -31.742
bonds (distance) P-C4' energy: -32.011
flat angles C4'-P-C4' energy: -35.099
flat angles P-C4'-P energy: -24.860
tors. eta vs tors. theta energy: -49.302
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: 10
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -479.705893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.705893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.705893 (E_RNA)
where:
Base-Base interactions energy: -337.103
where: short stacking energy: -139.700
Base-Backbone interact. energy: -0.833
local terms energy: -141.770570
where:
bonds (distance) C4'-P energy: -29.067
bonds (distance) P-C4' energy: -31.323
flat angles C4'-P-C4' energy: -32.702
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -36.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -488.383387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.383387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.383387 (E_RNA)
where:
Base-Base interactions energy: -347.042
where: short stacking energy: -139.872
Base-Backbone interact. energy: 2.347
local terms energy: -143.688992
where:
bonds (distance) C4'-P energy: -30.302
bonds (distance) P-C4' energy: -28.175
flat angles C4'-P-C4' energy: -33.018
flat angles P-C4'-P energy: -16.198
tors. eta vs tors. theta energy: -35.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -383.805433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.805433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.805433 (E_RNA)
where:
Base-Base interactions energy: -263.933
where: short stacking energy: -119.375
Base-Backbone interact. energy: -0.445
local terms energy: -119.427807
where:
bonds (distance) C4'-P energy: -23.896
bonds (distance) P-C4' energy: -30.839
flat angles C4'-P-C4' energy: -25.556
flat angles P-C4'-P energy: -16.070
tors. eta vs tors. theta energy: -23.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -342.148655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.148655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.148655 (E_RNA)
where:
Base-Base interactions energy: -215.259
where: short stacking energy: -105.037
Base-Backbone interact. energy: 2.506
local terms energy: -129.395236
where:
bonds (distance) C4'-P energy: -27.228
bonds (distance) P-C4' energy: -36.233
flat angles C4'-P-C4' energy: -31.615
flat angles P-C4'-P energy: -18.810
tors. eta vs tors. theta energy: -15.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -360.955130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.955130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.955130 (E_RNA)
where:
Base-Base interactions energy: -247.479
where: short stacking energy: -109.276
Base-Backbone interact. energy: 0.121
local terms energy: -113.597160
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -30.583
flat angles C4'-P-C4' energy: -27.997
flat angles P-C4'-P energy: -22.378
tors. eta vs tors. theta energy: -19.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -594.144033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.144033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.144033 (E_RNA)
where:
Base-Base interactions energy: -413.731
where: short stacking energy: -182.951
Base-Backbone interact. energy: -1.374
local terms energy: -179.038585
where:
bonds (distance) C4'-P energy: -27.321
bonds (distance) P-C4' energy: -35.474
flat angles C4'-P-C4' energy: -38.070
flat angles P-C4'-P energy: -28.599
tors. eta vs tors. theta energy: -49.575
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: 470
Temperature: 0.950000
Total energy: -585.475468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.475468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.475468 (E_RNA)
where:
Base-Base interactions energy: -428.861
where: short stacking energy: -173.564
Base-Backbone interact. energy: -0.062
local terms energy: -156.553198
where:
bonds (distance) C4'-P energy: -29.042
bonds (distance) P-C4' energy: -32.143
flat angles C4'-P-C4' energy: -37.434
flat angles P-C4'-P energy: -18.551
tors. eta vs tors. theta energy: -39.383
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: 5
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -557.406701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.406701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.406701 (E_RNA)
where:
Base-Base interactions energy: -387.504
where: short stacking energy: -171.561
Base-Backbone interact. energy: 0.320
local terms energy: -170.222827
where:
bonds (distance) C4'-P energy: -31.132
bonds (distance) P-C4' energy: -30.665
flat angles C4'-P-C4' energy: -35.956
flat angles P-C4'-P energy: -25.410
tors. eta vs tors. theta energy: -47.060
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: 9
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -548.634677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.634677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.634677 (E_RNA)
where:
Base-Base interactions energy: -391.859
where: short stacking energy: -158.070
Base-Backbone interact. energy: -0.193
local terms energy: -156.582961
where:
bonds (distance) C4'-P energy: -23.746
bonds (distance) P-C4' energy: -31.861
flat angles C4'-P-C4' energy: -36.232
flat angles P-C4'-P energy: -18.745
tors. eta vs tors. theta energy: -46.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -519.543989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.543989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.543989 (E_RNA)
where:
Base-Base interactions energy: -360.484
where: short stacking energy: -156.491
Base-Backbone interact. energy: -0.316
local terms energy: -158.744459
where:
bonds (distance) C4'-P energy: -29.587
bonds (distance) P-C4' energy: -28.183
flat angles C4'-P-C4' energy: -29.323
flat angles P-C4'-P energy: -25.526
tors. eta vs tors. theta energy: -46.125
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: 10
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -478.824022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.824022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.824022 (E_RNA)
where:
Base-Base interactions energy: -321.824
where: short stacking energy: -135.162
Base-Backbone interact. energy: -0.009
local terms energy: -156.990829
where:
bonds (distance) C4'-P energy: -32.535
bonds (distance) P-C4' energy: -26.069
flat angles C4'-P-C4' energy: -36.708
flat angles P-C4'-P energy: -21.077
tors. eta vs tors. theta energy: -40.601
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: 7
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -490.975725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.975725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.975725 (E_RNA)
where:
Base-Base interactions energy: -353.115
where: short stacking energy: -145.712
Base-Backbone interact. energy: 1.064
local terms energy: -138.924905
where:
bonds (distance) C4'-P energy: -30.209
bonds (distance) P-C4' energy: -27.526
flat angles C4'-P-C4' energy: -24.610
flat angles P-C4'-P energy: -17.849
tors. eta vs tors. theta energy: -38.730
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: 1
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -371.029780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.029780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.029780 (E_RNA)
where:
Base-Base interactions energy: -266.805
where: short stacking energy: -118.953
Base-Backbone interact. energy: -1.351
local terms energy: -102.873531
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -28.648
flat angles C4'-P-C4' energy: -27.941
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -21.357
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: 3
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -348.518837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.518837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.518837 (E_RNA)
where:
Base-Base interactions energy: -225.323
where: short stacking energy: -100.502
Base-Backbone interact. energy: -1.511
local terms energy: -121.684701
where:
bonds (distance) C4'-P energy: -28.098
bonds (distance) P-C4' energy: -31.657
flat angles C4'-P-C4' energy: -24.061
flat angles P-C4'-P energy: -17.583
tors. eta vs tors. theta energy: -20.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -331.974097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.974097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.974097 (E_RNA)
where:
Base-Base interactions energy: -217.959
where: short stacking energy: -100.450
Base-Backbone interact. energy: -1.192
local terms energy: -112.823551
where:
bonds (distance) C4'-P energy: -19.979
bonds (distance) P-C4' energy: -26.289
flat angles C4'-P-C4' energy: -27.439
flat angles P-C4'-P energy: -16.185
tors. eta vs tors. theta energy: -22.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -590.005841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.005841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.005841 (E_RNA)
where:
Base-Base interactions energy: -413.035
where: short stacking energy: -179.940
Base-Backbone interact. energy: -1.354
local terms energy: -175.617114
where:
bonds (distance) C4'-P energy: -28.834
bonds (distance) P-C4' energy: -33.744
flat angles C4'-P-C4' energy: -37.157
flat angles P-C4'-P energy: -24.155
tors. eta vs tors. theta energy: -51.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -592.234463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.234463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.234463 (E_RNA)
where:
Base-Base interactions energy: -428.473
where: short stacking energy: -174.499
Base-Backbone interact. energy: 6.182
local terms energy: -169.942764
where:
bonds (distance) C4'-P energy: -29.618
bonds (distance) P-C4' energy: -35.132
flat angles C4'-P-C4' energy: -32.314
flat angles P-C4'-P energy: -32.062
tors. eta vs tors. theta energy: -40.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -562.654078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.654078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.654078 (E_RNA)
where:
Base-Base interactions energy: -394.477
where: short stacking energy: -177.394
Base-Backbone interact. energy: -0.910
local terms energy: -167.267343
where:
bonds (distance) C4'-P energy: -31.119
bonds (distance) P-C4' energy: -23.896
flat angles C4'-P-C4' energy: -37.206
flat angles P-C4'-P energy: -24.832
tors. eta vs tors. theta energy: -50.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -555.883905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.883905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.883905 (E_RNA)
where:
Base-Base interactions energy: -396.800
where: short stacking energy: -164.317
Base-Backbone interact. energy: -0.220
local terms energy: -158.863399
where:
bonds (distance) C4'-P energy: -24.723
bonds (distance) P-C4' energy: -35.657
flat angles C4'-P-C4' energy: -34.890
flat angles P-C4'-P energy: -17.556
tors. eta vs tors. theta energy: -46.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -527.751103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.751103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.751103 (E_RNA)
where:
Base-Base interactions energy: -366.231
where: short stacking energy: -169.737
Base-Backbone interact. energy: -0.112
local terms energy: -161.407858
where:
bonds (distance) C4'-P energy: -29.749
bonds (distance) P-C4' energy: -27.141
flat angles C4'-P-C4' energy: -35.688
flat angles P-C4'-P energy: -20.868
tors. eta vs tors. theta energy: -47.962
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: 7
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -485.078006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.078006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.078006 (E_RNA)
where:
Base-Base interactions energy: -340.222
where: short stacking energy: -137.804
Base-Backbone interact. energy: -0.693
local terms energy: -144.163035
where:
bonds (distance) C4'-P energy: -28.399
bonds (distance) P-C4' energy: -35.246
flat angles C4'-P-C4' energy: -32.616
flat angles P-C4'-P energy: -21.282
tors. eta vs tors. theta energy: -26.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -462.126332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.126332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.126332 (E_RNA)
where:
Base-Base interactions energy: -332.007
where: short stacking energy: -137.250
Base-Backbone interact. energy: -0.071
local terms energy: -130.048358
where:
bonds (distance) C4'-P energy: -21.045
bonds (distance) P-C4' energy: -23.823
flat angles C4'-P-C4' energy: -25.923
flat angles P-C4'-P energy: -23.984
tors. eta vs tors. theta energy: -35.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -383.816930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.816930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.816930 (E_RNA)
where:
Base-Base interactions energy: -276.223
where: short stacking energy: -122.782
Base-Backbone interact. energy: -0.471
local terms energy: -107.122934
where:
bonds (distance) C4'-P energy: -24.326
bonds (distance) P-C4' energy: -28.767
flat angles C4'-P-C4' energy: -24.044
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -18.445
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: 9, replica: 1
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -339.321029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.321029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.321029 (E_RNA)
where:
Base-Base interactions energy: -229.346
where: short stacking energy: -93.510
Base-Backbone interact. energy: -0.614
local terms energy: -109.360882
where:
bonds (distance) C4'-P energy: -28.853
bonds (distance) P-C4' energy: -34.897
flat angles C4'-P-C4' energy: -21.922
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -11.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -288.072555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.072555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.072555 (E_RNA)
where:
Base-Base interactions energy: -180.957
where: short stacking energy: -93.726
Base-Backbone interact. energy: -0.466
local terms energy: -106.649122
where:
bonds (distance) C4'-P energy: -26.856
bonds (distance) P-C4' energy: -28.693
flat angles C4'-P-C4' energy: -23.414
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -21.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -609.040442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.040442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.040442 (E_RNA)
where:
Base-Base interactions energy: -436.174
where: short stacking energy: -178.060
Base-Backbone interact. energy: -0.395
local terms energy: -172.470579
where:
bonds (distance) C4'-P energy: -28.224
bonds (distance) P-C4' energy: -32.225
flat angles C4'-P-C4' energy: -37.155
flat angles P-C4'-P energy: -25.628
tors. eta vs tors. theta energy: -49.238
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: 8
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -585.246106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.246106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.246106 (E_RNA)
where:
Base-Base interactions energy: -413.937
where: short stacking energy: -184.867
Base-Backbone interact. energy: -1.410
local terms energy: -169.898865
where:
bonds (distance) C4'-P energy: -30.073
bonds (distance) P-C4' energy: -32.279
flat angles C4'-P-C4' energy: -32.637
flat angles P-C4'-P energy: -24.922
tors. eta vs tors. theta energy: -49.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -557.402815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.402815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.402815 (E_RNA)
where:
Base-Base interactions energy: -385.277
where: short stacking energy: -176.511
Base-Backbone interact. energy: -0.112
local terms energy: -172.013655
where:
bonds (distance) C4'-P energy: -32.337
bonds (distance) P-C4' energy: -34.280
flat angles C4'-P-C4' energy: -34.013
flat angles P-C4'-P energy: -24.812
tors. eta vs tors. theta energy: -46.571
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: 9
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -566.803577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.803577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.803577 (E_RNA)
where:
Base-Base interactions energy: -399.506
where: short stacking energy: -174.882
Base-Backbone interact. energy: -0.615
local terms energy: -166.682876
where:
bonds (distance) C4'-P energy: -29.327
bonds (distance) P-C4' energy: -26.731
flat angles C4'-P-C4' energy: -36.799
flat angles P-C4'-P energy: -25.158
tors. eta vs tors. theta energy: -48.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -513.809357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.809357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.809357 (E_RNA)
where:
Base-Base interactions energy: -347.314
where: short stacking energy: -160.074
Base-Backbone interact. energy: -0.018
local terms energy: -166.477969
where:
bonds (distance) C4'-P energy: -30.055
bonds (distance) P-C4' energy: -30.146
flat angles C4'-P-C4' energy: -34.608
flat angles P-C4'-P energy: -25.103
tors. eta vs tors. theta energy: -46.565
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: 7
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -520.274578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.274578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.274578 (E_RNA)
where:
Base-Base interactions energy: -379.488
where: short stacking energy: -151.310
Base-Backbone interact. energy: -1.561
local terms energy: -139.225257
where:
bonds (distance) C4'-P energy: -21.108
bonds (distance) P-C4' energy: -31.659
flat angles C4'-P-C4' energy: -29.353
flat angles P-C4'-P energy: -20.854
tors. eta vs tors. theta energy: -36.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -463.066339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.066339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.066339 (E_RNA)
where:
Base-Base interactions energy: -322.938
where: short stacking energy: -136.366
Base-Backbone interact. energy: -0.529
local terms energy: -139.599238
where:
bonds (distance) C4'-P energy: -24.232
bonds (distance) P-C4' energy: -27.490
flat angles C4'-P-C4' energy: -27.318
flat angles P-C4'-P energy: -24.460
tors. eta vs tors. theta energy: -36.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -358.323947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.323947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.323947 (E_RNA)
where:
Base-Base interactions energy: -244.346
where: short stacking energy: -106.794
Base-Backbone interact. energy: -0.231
local terms energy: -113.747715
where:
bonds (distance) C4'-P energy: -25.747
bonds (distance) P-C4' energy: -26.387
flat angles C4'-P-C4' energy: -28.522
flat angles P-C4'-P energy: -14.298
tors. eta vs tors. theta energy: -18.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -305.188794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.188794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.188794 (E_RNA)
where:
Base-Base interactions energy: -198.857
where: short stacking energy: -99.973
Base-Backbone interact. energy: -0.984
local terms energy: -105.348282
where:
bonds (distance) C4'-P energy: -27.547
bonds (distance) P-C4' energy: -20.475
flat angles C4'-P-C4' energy: -24.075
flat angles P-C4'-P energy: -17.327
tors. eta vs tors. theta energy: -15.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -293.241241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.241241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.241241 (E_RNA)
where:
Base-Base interactions energy: -191.900
where: short stacking energy: -85.386
Base-Backbone interact. energy: 1.512
local terms energy: -102.853512
where:
bonds (distance) C4'-P energy: -30.830
bonds (distance) P-C4' energy: -29.651
flat angles C4'-P-C4' energy: -21.324
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -9.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -618.260816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.260816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.260816 (E_RNA)
where:
Base-Base interactions energy: -441.361
where: short stacking energy: -176.752
Base-Backbone interact. energy: 4.217
local terms energy: -181.116588
where:
bonds (distance) C4'-P energy: -33.430
bonds (distance) P-C4' energy: -31.365
flat angles C4'-P-C4' energy: -40.836
flat angles P-C4'-P energy: -29.650
tors. eta vs tors. theta energy: -45.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -568.048928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.048928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.048928 (E_RNA)
where:
Base-Base interactions energy: -387.742
where: short stacking energy: -171.930
Base-Backbone interact. energy: -0.176
local terms energy: -180.130517
where:
bonds (distance) C4'-P energy: -32.526
bonds (distance) P-C4' energy: -32.726
flat angles C4'-P-C4' energy: -37.021
flat angles P-C4'-P energy: -28.411
tors. eta vs tors. theta energy: -49.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -552.953035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.953035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.953035 (E_RNA)
where:
Base-Base interactions energy: -395.036
where: short stacking energy: -165.745
Base-Backbone interact. energy: -0.009
local terms energy: -157.908014
where:
bonds (distance) C4'-P energy: -31.464
bonds (distance) P-C4' energy: -27.595
flat angles C4'-P-C4' energy: -31.852
flat angles P-C4'-P energy: -23.978
tors. eta vs tors. theta energy: -43.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -553.287523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.287523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.287523 (E_RNA)
where:
Base-Base interactions energy: -389.893
where: short stacking energy: -158.616
Base-Backbone interact. energy: -0.235
local terms energy: -163.159608
where:
bonds (distance) C4'-P energy: -28.655
bonds (distance) P-C4' energy: -33.293
flat angles C4'-P-C4' energy: -32.179
flat angles P-C4'-P energy: -24.639
tors. eta vs tors. theta energy: -44.394
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: 5, replica: 6
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -526.970009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.970009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.970009 (E_RNA)
where:
Base-Base interactions energy: -365.233
where: short stacking energy: -163.516
Base-Backbone interact. energy: -0.470
local terms energy: -161.267751
where:
bonds (distance) C4'-P energy: -27.939
bonds (distance) P-C4' energy: -33.363
flat angles C4'-P-C4' energy: -33.968
flat angles P-C4'-P energy: -21.775
tors. eta vs tors. theta energy: -44.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -518.584853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.584853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.584853 (E_RNA)
where:
Base-Base interactions energy: -355.214
where: short stacking energy: -155.249
Base-Backbone interact. energy: -1.165
local terms energy: -162.205685
where:
bonds (distance) C4'-P energy: -30.739
bonds (distance) P-C4' energy: -34.209
flat angles C4'-P-C4' energy: -32.605
flat angles P-C4'-P energy: -20.708
tors. eta vs tors. theta energy: -43.945
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: 10
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -472.751272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.751272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.751272 (E_RNA)
where:
Base-Base interactions energy: -331.245
where: short stacking energy: -152.540
Base-Backbone interact. energy: -0.098
local terms energy: -141.407907
where:
bonds (distance) C4'-P energy: -26.280
bonds (distance) P-C4' energy: -29.888
flat angles C4'-P-C4' energy: -25.852
flat angles P-C4'-P energy: -18.680
tors. eta vs tors. theta energy: -40.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -413.780783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.780783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.780783 (E_RNA)
where:
Base-Base interactions energy: -287.327
where: short stacking energy: -133.510
Base-Backbone interact. energy: 3.122
local terms energy: -129.576470
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -30.629
flat angles C4'-P-C4' energy: -34.921
flat angles P-C4'-P energy: -17.918
tors. eta vs tors. theta energy: -28.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -300.942989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.942989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.942989 (E_RNA)
where:
Base-Base interactions energy: -180.996
where: short stacking energy: -95.573
Base-Backbone interact. energy: -0.204
local terms energy: -119.743208
where:
bonds (distance) C4'-P energy: -27.250
bonds (distance) P-C4' energy: -32.962
flat angles C4'-P-C4' energy: -23.416
flat angles P-C4'-P energy: -17.322
tors. eta vs tors. theta energy: -18.793
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: 1
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -339.753634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.753634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.753634 (E_RNA)
where:
Base-Base interactions energy: -210.283
where: short stacking energy: -113.517
Base-Backbone interact. energy: -0.025
local terms energy: -129.445455
where:
bonds (distance) C4'-P energy: -32.751
bonds (distance) P-C4' energy: -23.337
flat angles C4'-P-C4' energy: -22.741
flat angles P-C4'-P energy: -20.966
tors. eta vs tors. theta energy: -29.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -582.659055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.659055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.659055 (E_RNA)
where:
Base-Base interactions energy: -409.687
where: short stacking energy: -175.752
Base-Backbone interact. energy: 2.722
local terms energy: -175.694441
where:
bonds (distance) C4'-P energy: -29.357
bonds (distance) P-C4' energy: -32.381
flat angles C4'-P-C4' energy: -31.862
flat angles P-C4'-P energy: -30.566
tors. eta vs tors. theta energy: -51.529
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: 2
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -599.115142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.115142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.115142 (E_RNA)
where:
Base-Base interactions energy: -430.977
where: short stacking energy: -175.236
Base-Backbone interact. energy: -0.678
local terms energy: -167.461051
where:
bonds (distance) C4'-P energy: -27.456
bonds (distance) P-C4' energy: -30.247
flat angles C4'-P-C4' energy: -33.520
flat angles P-C4'-P energy: -29.417
tors. eta vs tors. theta energy: -46.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -559.811054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.811054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.811054 (E_RNA)
where:
Base-Base interactions energy: -388.580
where: short stacking energy: -156.281
Base-Backbone interact. energy: -0.297
local terms energy: -170.933393
where:
bonds (distance) C4'-P energy: -38.092
bonds (distance) P-C4' energy: -32.072
flat angles C4'-P-C4' energy: -33.467
flat angles P-C4'-P energy: -22.862
tors. eta vs tors. theta energy: -44.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -546.888354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.888354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.888354 (E_RNA)
where:
Base-Base interactions energy: -385.998
where: short stacking energy: -173.633
Base-Backbone interact. energy: -0.173
local terms energy: -160.717766
where:
bonds (distance) C4'-P energy: -33.420
bonds (distance) P-C4' energy: -30.983
flat angles C4'-P-C4' energy: -31.838
flat angles P-C4'-P energy: -18.550
tors. eta vs tors. theta energy: -45.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -515.204489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.204489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.204489 (E_RNA)
where:
Base-Base interactions energy: -354.473
where: short stacking energy: -140.408
Base-Backbone interact. energy: -0.465
local terms energy: -160.266383
where:
bonds (distance) C4'-P energy: -30.094
bonds (distance) P-C4' energy: -35.298
flat angles C4'-P-C4' energy: -30.740
flat angles P-C4'-P energy: -22.283
tors. eta vs tors. theta energy: -41.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -516.886085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.886085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.886085 (E_RNA)
where:
Base-Base interactions energy: -352.397
where: short stacking energy: -163.953
Base-Backbone interact. energy: -0.408
local terms energy: -164.080637
where:
bonds (distance) C4'-P energy: -27.510
bonds (distance) P-C4' energy: -29.283
flat angles C4'-P-C4' energy: -29.860
flat angles P-C4'-P energy: -28.182
tors. eta vs tors. theta energy: -49.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -482.314086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.314086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.314086 (E_RNA)
where:
Base-Base interactions energy: -329.636
where: short stacking energy: -142.043
Base-Backbone interact. energy: -1.218
local terms energy: -151.459993
where:
bonds (distance) C4'-P energy: -28.403
bonds (distance) P-C4' energy: -35.897
flat angles C4'-P-C4' energy: -31.269
flat angles P-C4'-P energy: -19.894
tors. eta vs tors. theta energy: -35.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -408.129546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.129546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.129546 (E_RNA)
where:
Base-Base interactions energy: -273.302
where: short stacking energy: -129.391
Base-Backbone interact. energy: -0.199
local terms energy: -134.627792
where:
bonds (distance) C4'-P energy: -18.229
bonds (distance) P-C4' energy: -30.377
flat angles C4'-P-C4' energy: -30.558
flat angles P-C4'-P energy: -25.536
tors. eta vs tors. theta energy: -29.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -334.887282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.887282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.887282 (E_RNA)
where:
Base-Base interactions energy: -233.273
where: short stacking energy: -92.755
Base-Backbone interact. energy: 1.383
local terms energy: -102.997674
where:
bonds (distance) C4'-P energy: -26.605
bonds (distance) P-C4' energy: -22.107
flat angles C4'-P-C4' energy: -24.486
flat angles P-C4'-P energy: -18.978
tors. eta vs tors. theta energy: -10.821
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: 4
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -318.402650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.402650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.402650 (E_RNA)
where:
Base-Base interactions energy: -200.888
where: short stacking energy: -85.768
Base-Backbone interact. energy: -0.738
local terms energy: -116.777409
where:
bonds (distance) C4'-P energy: -25.733
bonds (distance) P-C4' energy: -31.373
flat angles C4'-P-C4' energy: -28.094
flat angles P-C4'-P energy: -16.441
tors. eta vs tors. theta energy: -15.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -580.696088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.696088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.696088 (E_RNA)
where:
Base-Base interactions energy: -399.224
where: short stacking energy: -178.603
Base-Backbone interact. energy: 0.034
local terms energy: -181.506256
where:
bonds (distance) C4'-P energy: -34.022
bonds (distance) P-C4' energy: -35.309
flat angles C4'-P-C4' energy: -33.373
flat angles P-C4'-P energy: -27.520
tors. eta vs tors. theta energy: -51.281
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: 2, replica: 2
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -612.200991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.200991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.200991 (E_RNA)
where:
Base-Base interactions energy: -443.834
where: short stacking energy: -179.218
Base-Backbone interact. energy: -0.803
local terms energy: -167.563965
where:
bonds (distance) C4'-P energy: -32.753
bonds (distance) P-C4' energy: -23.810
flat angles C4'-P-C4' energy: -40.180
flat angles P-C4'-P energy: -27.133
tors. eta vs tors. theta energy: -43.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -552.345772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.345772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.345772 (E_RNA)
where:
Base-Base interactions energy: -398.858
where: short stacking energy: -157.892
Base-Backbone interact. energy: 0.795
local terms energy: -154.282789
where:
bonds (distance) C4'-P energy: -23.011
bonds (distance) P-C4' energy: -33.093
flat angles C4'-P-C4' energy: -29.652
flat angles P-C4'-P energy: -24.131
tors. eta vs tors. theta energy: -44.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -553.240332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.240332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.240332 (E_RNA)
where:
Base-Base interactions energy: -391.731
where: short stacking energy: -169.622
Base-Backbone interact. energy: -0.341
local terms energy: -161.168129
where:
bonds (distance) C4'-P energy: -22.940
bonds (distance) P-C4' energy: -34.093
flat angles C4'-P-C4' energy: -36.250
flat angles P-C4'-P energy: -17.980
tors. eta vs tors. theta energy: -49.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -537.160218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.160218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.160218 (E_RNA)
where:
Base-Base interactions energy: -370.135
where: short stacking energy: -163.424
Base-Backbone interact. energy: -0.756
local terms energy: -166.269179
where:
bonds (distance) C4'-P energy: -36.888
bonds (distance) P-C4' energy: -27.742
flat angles C4'-P-C4' energy: -31.265
flat angles P-C4'-P energy: -24.224
tors. eta vs tors. theta energy: -46.150
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: 6, replica: 6
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -501.119839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.119839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.119839 (E_RNA)
where:
Base-Base interactions energy: -352.900
where: short stacking energy: -156.587
Base-Backbone interact. energy: -0.220
local terms energy: -147.999224
where:
bonds (distance) C4'-P energy: -28.408
bonds (distance) P-C4' energy: -26.221
flat angles C4'-P-C4' energy: -36.012
flat angles P-C4'-P energy: -16.591
tors. eta vs tors. theta energy: -40.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -474.107831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.107831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.107831 (E_RNA)
where:
Base-Base interactions energy: -326.512
where: short stacking energy: -133.734
Base-Backbone interact. energy: 0.375
local terms energy: -147.971257
where:
bonds (distance) C4'-P energy: -28.617
bonds (distance) P-C4' energy: -32.667
flat angles C4'-P-C4' energy: -32.165
flat angles P-C4'-P energy: -24.330
tors. eta vs tors. theta energy: -30.192
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: 3
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -382.163272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.163272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.163272 (E_RNA)
where:
Base-Base interactions energy: -243.362
where: short stacking energy: -116.251
Base-Backbone interact. energy: 0.372
local terms energy: -139.172587
where:
bonds (distance) C4'-P energy: -29.012
bonds (distance) P-C4' energy: -25.823
flat angles C4'-P-C4' energy: -30.852
flat angles P-C4'-P energy: -24.534
tors. eta vs tors. theta energy: -28.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -314.189472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.189472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.189472 (E_RNA)
where:
Base-Base interactions energy: -197.899
where: short stacking energy: -104.478
Base-Backbone interact. energy: -0.590
local terms energy: -115.700920
where:
bonds (distance) C4'-P energy: -27.055
bonds (distance) P-C4' energy: -29.326
flat angles C4'-P-C4' energy: -30.825
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -17.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -316.876050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.876050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.876050 (E_RNA)
where:
Base-Base interactions energy: -202.534
where: short stacking energy: -94.617
Base-Backbone interact. energy: -1.019
local terms energy: -113.322867
where:
bonds (distance) C4'-P energy: -27.353
bonds (distance) P-C4' energy: -27.660
flat angles C4'-P-C4' energy: -27.580
flat angles P-C4'-P energy: -15.225
tors. eta vs tors. theta energy: -15.506
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: 2
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -604.945569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.945569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.945569 (E_RNA)
where:
Base-Base interactions energy: -439.980
where: short stacking energy: -176.883
Base-Backbone interact. energy: -1.100
local terms energy: -163.866388
where:
bonds (distance) C4'-P energy: -26.993
bonds (distance) P-C4' energy: -31.492
flat angles C4'-P-C4' energy: -36.381
flat angles P-C4'-P energy: -22.348
tors. eta vs tors. theta energy: -46.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -575.303183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.303183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.303183 (E_RNA)
where:
Base-Base interactions energy: -396.165
where: short stacking energy: -168.217
Base-Backbone interact. energy: -0.010
local terms energy: -179.127300
where:
bonds (distance) C4'-P energy: -33.319
bonds (distance) P-C4' energy: -33.580
flat angles C4'-P-C4' energy: -32.830
flat angles P-C4'-P energy: -30.759
tors. eta vs tors. theta energy: -48.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -561.039757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.039757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.039757 (E_RNA)
where:
Base-Base interactions energy: -391.597
where: short stacking energy: -165.711
Base-Backbone interact. energy: -2.299
local terms energy: -167.144102
where:
bonds (distance) C4'-P energy: -31.130
bonds (distance) P-C4' energy: -31.735
flat angles C4'-P-C4' energy: -34.226
flat angles P-C4'-P energy: -24.538
tors. eta vs tors. theta energy: -45.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -549.492618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.492618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.492618 (E_RNA)
where:
Base-Base interactions energy: -379.119
where: short stacking energy: -164.548
Base-Backbone interact. energy: -0.061
local terms energy: -170.311835
where:
bonds (distance) C4'-P energy: -32.813
bonds (distance) P-C4' energy: -26.988
flat angles C4'-P-C4' energy: -30.888
flat angles P-C4'-P energy: -26.815
tors. eta vs tors. theta energy: -52.807
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: 5, replica: 6
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -513.047557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.047557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.047557 (E_RNA)
where:
Base-Base interactions energy: -364.563
where: short stacking energy: -160.079
Base-Backbone interact. energy: -0.366
local terms energy: -148.118594
where:
bonds (distance) C4'-P energy: -31.538
bonds (distance) P-C4' energy: -30.409
flat angles C4'-P-C4' energy: -33.228
flat angles P-C4'-P energy: -15.154
tors. eta vs tors. theta energy: -37.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -527.962425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.962425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.962425 (E_RNA)
where:
Base-Base interactions energy: -361.290
where: short stacking energy: -158.963
Base-Backbone interact. energy: -0.944
local terms energy: -165.728819
where:
bonds (distance) C4'-P energy: -32.944
bonds (distance) P-C4' energy: -34.951
flat angles C4'-P-C4' energy: -31.721
flat angles P-C4'-P energy: -25.930
tors. eta vs tors. theta energy: -40.183
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: 10
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -472.478664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.478664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.478664 (E_RNA)
where:
Base-Base interactions energy: -326.672
where: short stacking energy: -145.495
Base-Backbone interact. energy: -0.268
local terms energy: -145.537944
where:
bonds (distance) C4'-P energy: -29.174
bonds (distance) P-C4' energy: -24.149
flat angles C4'-P-C4' energy: -32.873
flat angles P-C4'-P energy: -16.526
tors. eta vs tors. theta energy: -42.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -354.394678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.394678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.394678 (E_RNA)
where:
Base-Base interactions energy: -237.369
where: short stacking energy: -102.417
Base-Backbone interact. energy: -1.288
local terms energy: -115.736848
where:
bonds (distance) C4'-P energy: -31.137
bonds (distance) P-C4' energy: -30.479
flat angles C4'-P-C4' energy: -24.443
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -19.355
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: 1
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -330.887142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.887142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.887142 (E_RNA)
where:
Base-Base interactions energy: -210.154
where: short stacking energy: -88.754
Base-Backbone interact. energy: 0.269
local terms energy: -121.002251
where:
bonds (distance) C4'-P energy: -32.824
bonds (distance) P-C4' energy: -26.845
flat angles C4'-P-C4' energy: -30.078
flat angles P-C4'-P energy: -14.812
tors. eta vs tors. theta energy: -16.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -280.071222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.071222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.071222 (E_RNA)
where:
Base-Base interactions energy: -175.521
where: short stacking energy: -89.459
Base-Backbone interact. energy: 2.530
local terms energy: -107.080127
where:
bonds (distance) C4'-P energy: -25.894
bonds (distance) P-C4' energy: -26.117
flat angles C4'-P-C4' energy: -26.469
flat angles P-C4'-P energy: -19.178
tors. eta vs tors. theta energy: -9.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -610.028449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.028449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.028449 (E_RNA)
where:
Base-Base interactions energy: -436.372
where: short stacking energy: -171.960
Base-Backbone interact. energy: -0.750
local terms energy: -172.906664
where:
bonds (distance) C4'-P energy: -31.434
bonds (distance) P-C4' energy: -31.909
flat angles C4'-P-C4' energy: -35.974
flat angles P-C4'-P energy: -24.416
tors. eta vs tors. theta energy: -49.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -575.843629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.843629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.843629 (E_RNA)
where:
Base-Base interactions energy: -411.201
where: short stacking energy: -183.473
Base-Backbone interact. energy: -1.497
local terms energy: -163.145772
where:
bonds (distance) C4'-P energy: -31.315
bonds (distance) P-C4' energy: -29.391
flat angles C4'-P-C4' energy: -34.527
flat angles P-C4'-P energy: -17.022
tors. eta vs tors. theta energy: -50.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -560.754453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.754453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.754453 (E_RNA)
where:
Base-Base interactions energy: -392.457
where: short stacking energy: -151.645
Base-Backbone interact. energy: -0.563
local terms energy: -167.734830
where:
bonds (distance) C4'-P energy: -30.144
bonds (distance) P-C4' energy: -37.163
flat angles C4'-P-C4' energy: -35.796
flat angles P-C4'-P energy: -19.858
tors. eta vs tors. theta energy: -44.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -539.216289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.216289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.216289 (E_RNA)
where:
Base-Base interactions energy: -385.487
where: short stacking energy: -165.394
Base-Backbone interact. energy: -0.447
local terms energy: -153.282074
where:
bonds (distance) C4'-P energy: -26.364
bonds (distance) P-C4' energy: -21.044
flat angles C4'-P-C4' energy: -32.089
flat angles P-C4'-P energy: -25.258
tors. eta vs tors. theta energy: -48.527
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: 5, replica: 6
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -530.482904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.482904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.482904 (E_RNA)
where:
Base-Base interactions energy: -364.883
where: short stacking energy: -167.856
Base-Backbone interact. energy: -0.184
local terms energy: -165.416695
where:
bonds (distance) C4'-P energy: -32.432
bonds (distance) P-C4' energy: -30.297
flat angles C4'-P-C4' energy: -34.097
flat angles P-C4'-P energy: -23.346
tors. eta vs tors. theta energy: -45.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -484.888443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.888443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.888443 (E_RNA)
where:
Base-Base interactions energy: -329.828
where: short stacking energy: -147.724
Base-Backbone interact. energy: -0.414
local terms energy: -154.646028
where:
bonds (distance) C4'-P energy: -30.987
bonds (distance) P-C4' energy: -31.076
flat angles C4'-P-C4' energy: -31.616
flat angles P-C4'-P energy: -20.065
tors. eta vs tors. theta energy: -40.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -480.681573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.681573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.681573 (E_RNA)
where:
Base-Base interactions energy: -339.317
where: short stacking energy: -141.385
Base-Backbone interact. energy: 0.638
local terms energy: -142.001857
where:
bonds (distance) C4'-P energy: -28.858
bonds (distance) P-C4' energy: -28.171
flat angles C4'-P-C4' energy: -25.458
flat angles P-C4'-P energy: -20.193
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: 8, replica: 1
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -375.622034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.622034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.622034 (E_RNA)
where:
Base-Base interactions energy: -239.041
where: short stacking energy: -133.701
Base-Backbone interact. energy: -0.311
local terms energy: -136.270282
where:
bonds (distance) C4'-P energy: -19.247
bonds (distance) P-C4' energy: -31.517
flat angles C4'-P-C4' energy: -35.113
flat angles P-C4'-P energy: -20.150
tors. eta vs tors. theta energy: -30.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -338.393986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.393986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.393986 (E_RNA)
where:
Base-Base interactions energy: -222.124
where: short stacking energy: -109.023
Base-Backbone interact. energy: -0.615
local terms energy: -115.654825
where:
bonds (distance) C4'-P energy: -22.340
bonds (distance) P-C4' energy: -24.610
flat angles C4'-P-C4' energy: -28.588
flat angles P-C4'-P energy: -21.169
tors. eta vs tors. theta energy: -18.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -280.455029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.455029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.455029 (E_RNA)
where:
Base-Base interactions energy: -173.712
where: short stacking energy: -92.202
Base-Backbone interact. energy: -0.435
local terms energy: -106.307919
where:
bonds (distance) C4'-P energy: -22.943
bonds (distance) P-C4' energy: -26.554
flat angles C4'-P-C4' energy: -25.653
flat angles P-C4'-P energy: -14.619
tors. eta vs tors. theta energy: -16.540
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: 8
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -581.663617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.663617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.663617 (E_RNA)
where:
Base-Base interactions energy: -402.995
where: short stacking energy: -178.330
Base-Backbone interact. energy: -2.677
local terms energy: -175.991760
where:
bonds (distance) C4'-P energy: -29.058
bonds (distance) P-C4' energy: -32.284
flat angles C4'-P-C4' energy: -32.442
flat angles P-C4'-P energy: -29.985
tors. eta vs tors. theta energy: -52.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -599.486616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.486616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.486616 (E_RNA)
where:
Base-Base interactions energy: -419.373
where: short stacking energy: -162.609
Base-Backbone interact. energy: -1.333
local terms energy: -178.780498
where:
bonds (distance) C4'-P energy: -35.785
bonds (distance) P-C4' energy: -35.893
flat angles C4'-P-C4' energy: -38.288
flat angles P-C4'-P energy: -26.097
tors. eta vs tors. theta energy: -42.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -542.296485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.296485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.296485 (E_RNA)
where:
Base-Base interactions energy: -375.164
where: short stacking energy: -156.875
Base-Backbone interact. energy: -0.155
local terms energy: -166.977221
where:
bonds (distance) C4'-P energy: -28.777
bonds (distance) P-C4' energy: -28.172
flat angles C4'-P-C4' energy: -35.581
flat angles P-C4'-P energy: -28.896
tors. eta vs tors. theta energy: -45.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -535.705193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.705193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.705193 (E_RNA)
where:
Base-Base interactions energy: -367.937
where: short stacking energy: -137.517
Base-Backbone interact. energy: -1.498
local terms energy: -166.270404
where:
bonds (distance) C4'-P energy: -36.150
bonds (distance) P-C4' energy: -34.176
flat angles C4'-P-C4' energy: -28.177
flat angles P-C4'-P energy: -21.033
tors. eta vs tors. theta energy: -46.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -521.124272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.124272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.124272 (E_RNA)
where:
Base-Base interactions energy: -348.539
where: short stacking energy: -161.424
Base-Backbone interact. energy: -0.005
local terms energy: -172.579865
where:
bonds (distance) C4'-P energy: -31.469
bonds (distance) P-C4' energy: -27.440
flat angles C4'-P-C4' energy: -36.991
flat angles P-C4'-P energy: -27.529
tors. eta vs tors. theta energy: -49.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -484.159317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.159317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.159317 (E_RNA)
where:
Base-Base interactions energy: -333.223
where: short stacking energy: -141.327
Base-Backbone interact. energy: -0.353
local terms energy: -150.583248
where:
bonds (distance) C4'-P energy: -31.983
bonds (distance) P-C4' energy: -25.756
flat angles C4'-P-C4' energy: -33.852
flat angles P-C4'-P energy: -21.199
tors. eta vs tors. theta energy: -37.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -477.576320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.576320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.576320 (E_RNA)
where:
Base-Base interactions energy: -332.569
where: short stacking energy: -142.884
Base-Backbone interact. energy: -0.456
local terms energy: -144.550795
where:
bonds (distance) C4'-P energy: -26.430
bonds (distance) P-C4' energy: -25.189
flat angles C4'-P-C4' energy: -33.077
flat angles P-C4'-P energy: -23.583
tors. eta vs tors. theta energy: -36.272
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: 8, replica: 1
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -364.814478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.814478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.814478 (E_RNA)
where:
Base-Base interactions energy: -224.303
where: short stacking energy: -115.050
Base-Backbone interact. energy: -0.339
local terms energy: -140.172948
where:
bonds (distance) C4'-P energy: -27.080
bonds (distance) P-C4' energy: -28.063
flat angles C4'-P-C4' energy: -34.120
flat angles P-C4'-P energy: -21.664
tors. eta vs tors. theta energy: -29.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -352.111535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.111535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.111535 (E_RNA)
where:
Base-Base interactions energy: -229.031
where: short stacking energy: -110.020
Base-Backbone interact. energy: -0.129
local terms energy: -122.952052
where:
bonds (distance) C4'-P energy: -24.426
bonds (distance) P-C4' energy: -30.329
flat angles C4'-P-C4' energy: -27.448
flat angles P-C4'-P energy: -13.649
tors. eta vs tors. theta energy: -27.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -305.229777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.229777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.229777 (E_RNA)
where:
Base-Base interactions energy: -199.333
where: short stacking energy: -86.676
Base-Backbone interact. energy: 1.202
local terms energy: -107.098545
where:
bonds (distance) C4'-P energy: -29.398
bonds (distance) P-C4' energy: -26.207
flat angles C4'-P-C4' energy: -27.814
flat angles P-C4'-P energy: -6.830
tors. eta vs tors. theta energy: -16.851
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: 1, replica: 8
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -582.107859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.107859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.107859 (E_RNA)
where:
Base-Base interactions energy: -403.040
where: short stacking energy: -177.079
Base-Backbone interact. energy: -0.167
local terms energy: -178.900844
where:
bonds (distance) C4'-P energy: -27.340
bonds (distance) P-C4' energy: -34.752
flat angles C4'-P-C4' energy: -35.759
flat angles P-C4'-P energy: -28.602
tors. eta vs tors. theta energy: -52.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -601.728474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.728474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.728474 (E_RNA)
where:
Base-Base interactions energy: -433.977
where: short stacking energy: -176.788
Base-Backbone interact. energy: 0.168
local terms energy: -167.919876
where:
bonds (distance) C4'-P energy: -33.084
bonds (distance) P-C4' energy: -31.990
flat angles C4'-P-C4' energy: -35.515
flat angles P-C4'-P energy: -21.534
tors. eta vs tors. theta energy: -45.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -560.332856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.332856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.332856 (E_RNA)
where:
Base-Base interactions energy: -395.306
where: short stacking energy: -167.854
Base-Backbone interact. energy: 0.312
local terms energy: -165.338799
where:
bonds (distance) C4'-P energy: -28.198
bonds (distance) P-C4' energy: -32.047
flat angles C4'-P-C4' energy: -35.109
flat angles P-C4'-P energy: -21.591
tors. eta vs tors. theta energy: -48.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -525.273789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.273789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.273789 (E_RNA)
where:
Base-Base interactions energy: -362.106
where: short stacking energy: -169.875
Base-Backbone interact. energy: -1.050
local terms energy: -162.117666
where:
bonds (distance) C4'-P energy: -27.366
bonds (distance) P-C4' energy: -28.147
flat angles C4'-P-C4' energy: -33.289
flat angles P-C4'-P energy: -24.608
tors. eta vs tors. theta energy: -48.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -553.589253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.589253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.589253 (E_RNA)
where:
Base-Base interactions energy: -398.807
where: short stacking energy: -162.729
Base-Backbone interact. energy: -0.182
local terms energy: -154.600669
where:
bonds (distance) C4'-P energy: -29.829
bonds (distance) P-C4' energy: -31.668
flat angles C4'-P-C4' energy: -23.277
flat angles P-C4'-P energy: -23.043
tors. eta vs tors. theta energy: -46.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -501.706113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.706113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.706113 (E_RNA)
where:
Base-Base interactions energy: -362.022
where: short stacking energy: -150.567
Base-Backbone interact. energy: -0.104
local terms energy: -139.580472
where:
bonds (distance) C4'-P energy: -24.397
bonds (distance) P-C4' energy: -28.154
flat angles C4'-P-C4' energy: -30.869
flat angles P-C4'-P energy: -14.346
tors. eta vs tors. theta energy: -41.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -418.495346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.495346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.495346 (E_RNA)
where:
Base-Base interactions energy: -294.799
where: short stacking energy: -134.261
Base-Backbone interact. energy: -0.779
local terms energy: -122.916932
where:
bonds (distance) C4'-P energy: -24.131
bonds (distance) P-C4' energy: -22.334
flat angles C4'-P-C4' energy: -33.343
flat angles P-C4'-P energy: -16.782
tors. eta vs tors. theta energy: -26.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -374.412705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.412705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.412705 (E_RNA)
where:
Base-Base interactions energy: -232.708
where: short stacking energy: -118.181
Base-Backbone interact. energy: -0.263
local terms energy: -141.441167
where:
bonds (distance) C4'-P energy: -26.021
bonds (distance) P-C4' energy: -31.112
flat angles C4'-P-C4' energy: -21.233
flat angles P-C4'-P energy: -28.417
tors. eta vs tors. theta energy: -34.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -358.705397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.705397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.705397 (E_RNA)
where:
Base-Base interactions energy: -236.238
where: short stacking energy: -108.903
Base-Backbone interact. energy: -0.137
local terms energy: -122.330965
where:
bonds (distance) C4'-P energy: -28.834
bonds (distance) P-C4' energy: -26.288
flat angles C4'-P-C4' energy: -24.431
flat angles P-C4'-P energy: -17.626
tors. eta vs tors. theta energy: -25.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -291.834041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.834041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.834041 (E_RNA)
where:
Base-Base interactions energy: -171.367
where: short stacking energy: -85.723
Base-Backbone interact. energy: 1.490
local terms energy: -121.957207
where:
bonds (distance) C4'-P energy: -31.376
bonds (distance) P-C4' energy: -27.583
flat angles C4'-P-C4' energy: -29.966
flat angles P-C4'-P energy: -17.094
tors. eta vs tors. theta energy: -15.938
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: 2
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -612.458723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.458723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.458723 (E_RNA)
where:
Base-Base interactions energy: -441.088
where: short stacking energy: -185.245
Base-Backbone interact. energy: 2.075
local terms energy: -173.446034
where:
bonds (distance) C4'-P energy: -31.836
bonds (distance) P-C4' energy: -34.752
flat angles C4'-P-C4' energy: -36.485
flat angles P-C4'-P energy: -26.157
tors. eta vs tors. theta energy: -44.215
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: 8
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -579.507946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.507946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.507946 (E_RNA)
where:
Base-Base interactions energy: -401.603
where: short stacking energy: -174.590
Base-Backbone interact. energy: -1.044
local terms energy: -176.861338
where:
bonds (distance) C4'-P energy: -29.409
bonds (distance) P-C4' energy: -31.557
flat angles C4'-P-C4' energy: -36.669
flat angles P-C4'-P energy: -27.753
tors. eta vs tors. theta energy: -51.473
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: 5
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -563.113541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.113541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.113541 (E_RNA)
where:
Base-Base interactions energy: -398.399
where: short stacking energy: -179.845
Base-Backbone interact. energy: -0.058
local terms energy: -164.656647
where:
bonds (distance) C4'-P energy: -25.895
bonds (distance) P-C4' energy: -30.523
flat angles C4'-P-C4' energy: -35.736
flat angles P-C4'-P energy: -23.133
tors. eta vs tors. theta energy: -49.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -537.607800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.607800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.607800 (E_RNA)
where:
Base-Base interactions energy: -362.617
where: short stacking energy: -173.033
Base-Backbone interact. energy: -0.574
local terms energy: -174.416127
where:
bonds (distance) C4'-P energy: -33.128
bonds (distance) P-C4' energy: -34.317
flat angles C4'-P-C4' energy: -33.156
flat angles P-C4'-P energy: -22.975
tors. eta vs tors. theta energy: -50.841
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: 9
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -533.420857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.420857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.420857 (E_RNA)
where:
Base-Base interactions energy: -370.629
where: short stacking energy: -152.984
Base-Backbone interact. energy: -0.373
local terms energy: -162.418947
where:
bonds (distance) C4'-P energy: -30.964
bonds (distance) P-C4' energy: -33.129
flat angles C4'-P-C4' energy: -33.090
flat angles P-C4'-P energy: -23.789
tors. eta vs tors. theta energy: -41.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -501.581747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.581747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.581747 (E_RNA)
where:
Base-Base interactions energy: -333.951
where: short stacking energy: -155.198
Base-Backbone interact. energy: -0.846
local terms energy: -166.784755
where:
bonds (distance) C4'-P energy: -27.615
bonds (distance) P-C4' energy: -33.905
flat angles C4'-P-C4' energy: -36.892
flat angles P-C4'-P energy: -24.084
tors. eta vs tors. theta energy: -44.289
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: 1
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -415.711926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.711926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.711926 (E_RNA)
where:
Base-Base interactions energy: -270.715
where: short stacking energy: -141.229
Base-Backbone interact. energy: -0.345
local terms energy: -144.651344
where:
bonds (distance) C4'-P energy: -27.476
bonds (distance) P-C4' energy: -30.259
flat angles C4'-P-C4' energy: -29.737
flat angles P-C4'-P energy: -13.804
tors. eta vs tors. theta energy: -43.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -435.276061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.276061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.276061 (E_RNA)
where:
Base-Base interactions energy: -314.045
where: short stacking energy: -133.520
Base-Backbone interact. energy: 0.782
local terms energy: -122.013333
where:
bonds (distance) C4'-P energy: -20.124
bonds (distance) P-C4' energy: -23.212
flat angles C4'-P-C4' energy: -30.515
flat angles P-C4'-P energy: -17.291
tors. eta vs tors. theta energy: -30.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -324.906032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.906032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.906032 (E_RNA)
where:
Base-Base interactions energy: -214.092
where: short stacking energy: -92.104
Base-Backbone interact. energy: 0.620
local terms energy: -111.434133
where:
bonds (distance) C4'-P energy: -25.642
bonds (distance) P-C4' energy: -24.187
flat angles C4'-P-C4' energy: -28.289
flat angles P-C4'-P energy: -18.003
tors. eta vs tors. theta energy: -15.313
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: 4
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -305.670946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.670946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.670946 (E_RNA)
where:
Base-Base interactions energy: -191.101
where: short stacking energy: -92.338
Base-Backbone interact. energy: -1.205
local terms energy: -113.365534
where:
bonds (distance) C4'-P energy: -31.319
bonds (distance) P-C4' energy: -30.701
flat angles C4'-P-C4' energy: -31.158
flat angles P-C4'-P energy: -16.856
tors. eta vs tors. theta energy: -3.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -619.787373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.787373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.787373 (E_RNA)
where:
Base-Base interactions energy: -445.621
where: short stacking energy: -179.485
Base-Backbone interact. energy: -0.860
local terms energy: -173.306515
where:
bonds (distance) C4'-P energy: -28.114
bonds (distance) P-C4' energy: -35.959
flat angles C4'-P-C4' energy: -37.273
flat angles P-C4'-P energy: -27.046
tors. eta vs tors. theta energy: -44.914
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: 8
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -591.685021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.685021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.685021 (E_RNA)
where:
Base-Base interactions energy: -409.931
where: short stacking energy: -171.292
Base-Backbone interact. energy: -1.322
local terms energy: -180.431485
where:
bonds (distance) C4'-P energy: -34.277
bonds (distance) P-C4' energy: -30.725
flat angles C4'-P-C4' energy: -38.562
flat angles P-C4'-P energy: -24.686
tors. eta vs tors. theta energy: -52.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -556.486959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.486959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.486959 (E_RNA)
where:
Base-Base interactions energy: -388.789
where: short stacking energy: -168.876
Base-Backbone interact. energy: 1.210
local terms energy: -168.907971
where:
bonds (distance) C4'-P energy: -37.115
bonds (distance) P-C4' energy: -28.221
flat angles C4'-P-C4' energy: -36.037
flat angles P-C4'-P energy: -20.924
tors. eta vs tors. theta energy: -46.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -552.081337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.081337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.081337 (E_RNA)
where:
Base-Base interactions energy: -389.764
where: short stacking energy: -159.749
Base-Backbone interact. energy: -0.215
local terms energy: -162.102352
where:
bonds (distance) C4'-P energy: -31.195
bonds (distance) P-C4' energy: -29.454
flat angles C4'-P-C4' energy: -34.857
flat angles P-C4'-P energy: -21.783
tors. eta vs tors. theta energy: -44.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -530.757701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.757701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.757701 (E_RNA)
where:
Base-Base interactions energy: -357.053
where: short stacking energy: -160.427
Base-Backbone interact. energy: -0.111
local terms energy: -173.593476
where:
bonds (distance) C4'-P energy: -33.804
bonds (distance) P-C4' energy: -31.368
flat angles C4'-P-C4' energy: -36.440
flat angles P-C4'-P energy: -22.465
tors. eta vs tors. theta energy: -49.516
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: 7
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -522.791179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.791179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.791179 (E_RNA)
where:
Base-Base interactions energy: -365.752
where: short stacking energy: -154.092
Base-Backbone interact. energy: -0.716
local terms energy: -156.323570
where:
bonds (distance) C4'-P energy: -28.448
bonds (distance) P-C4' energy: -28.609
flat angles C4'-P-C4' energy: -34.057
flat angles P-C4'-P energy: -21.615
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: 7, replica: 1
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -408.221563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.221563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.221563 (E_RNA)
where:
Base-Base interactions energy: -261.514
where: short stacking energy: -126.702
Base-Backbone interact. energy: -0.490
local terms energy: -146.218128
where:
bonds (distance) C4'-P energy: -33.703
bonds (distance) P-C4' energy: -32.604
flat angles C4'-P-C4' energy: -31.658
flat angles P-C4'-P energy: -16.310
tors. eta vs tors. theta energy: -31.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -440.575323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.575323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.575323 (E_RNA)
where:
Base-Base interactions energy: -319.717
where: short stacking energy: -126.480
Base-Backbone interact. energy: 0.401
local terms energy: -121.259268
where:
bonds (distance) C4'-P energy: -25.924
bonds (distance) P-C4' energy: -25.342
flat angles C4'-P-C4' energy: -21.650
flat angles P-C4'-P energy: -23.608
tors. eta vs tors. theta energy: -24.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -296.230056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.230056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.230056 (E_RNA)
where:
Base-Base interactions energy: -179.634
where: short stacking energy: -80.254
Base-Backbone interact. energy: -1.271
local terms energy: -115.324155
where:
bonds (distance) C4'-P energy: -32.124
bonds (distance) P-C4' energy: -26.936
flat angles C4'-P-C4' energy: -22.551
flat angles P-C4'-P energy: -21.586
tors. eta vs tors. theta energy: -12.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -308.963411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.963411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.963411 (E_RNA)
where:
Base-Base interactions energy: -200.013
where: short stacking energy: -100.819
Base-Backbone interact. energy: 0.223
local terms energy: -109.173272
where:
bonds (distance) C4'-P energy: -29.255
bonds (distance) P-C4' energy: -32.257
flat angles C4'-P-C4' energy: -25.780
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -11.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -614.591208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.591208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.591208 (E_RNA)
where:
Base-Base interactions energy: -438.691
where: short stacking energy: -175.708
Base-Backbone interact. energy: -0.135
local terms energy: -175.765257
where:
bonds (distance) C4'-P energy: -32.392
bonds (distance) P-C4' energy: -35.817
flat angles C4'-P-C4' energy: -38.660
flat angles P-C4'-P energy: -22.074
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: 2, replica: 8
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -595.056718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.056718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.056718 (E_RNA)
where:
Base-Base interactions energy: -416.202
where: short stacking energy: -189.571
Base-Backbone interact. energy: -1.433
local terms energy: -177.420941
where:
bonds (distance) C4'-P energy: -26.421
bonds (distance) P-C4' energy: -32.438
flat angles C4'-P-C4' energy: -34.906
flat angles P-C4'-P energy: -30.846
tors. eta vs tors. theta energy: -52.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -559.260771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.260771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.260771 (E_RNA)
where:
Base-Base interactions energy: -398.212
where: short stacking energy: -160.199
Base-Backbone interact. energy: 1.910
local terms energy: -162.958679
where:
bonds (distance) C4'-P energy: -26.849
bonds (distance) P-C4' energy: -25.250
flat angles C4'-P-C4' energy: -35.941
flat angles P-C4'-P energy: -29.140
tors. eta vs tors. theta energy: -45.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -547.137027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.137027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.137027 (E_RNA)
where:
Base-Base interactions energy: -380.592
where: short stacking energy: -169.101
Base-Backbone interact. energy: -1.010
local terms energy: -165.534909
where:
bonds (distance) C4'-P energy: -29.408
bonds (distance) P-C4' energy: -28.649
flat angles C4'-P-C4' energy: -37.793
flat angles P-C4'-P energy: -25.220
tors. eta vs tors. theta energy: -44.465
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: 7
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -515.286438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.286438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.286438 (E_RNA)
where:
Base-Base interactions energy: -359.624
where: short stacking energy: -154.454
Base-Backbone interact. energy: -0.753
local terms energy: -154.908569
where:
bonds (distance) C4'-P energy: -24.333
bonds (distance) P-C4' energy: -29.408
flat angles C4'-P-C4' energy: -36.052
flat angles P-C4'-P energy: -24.776
tors. eta vs tors. theta energy: -40.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -521.165322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.165322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.165322 (E_RNA)
where:
Base-Base interactions energy: -368.788
where: short stacking energy: -163.107
Base-Backbone interact. energy: -0.252
local terms energy: -152.126244
where:
bonds (distance) C4'-P energy: -27.257
bonds (distance) P-C4' energy: -23.274
flat angles C4'-P-C4' energy: -33.052
flat angles P-C4'-P energy: -21.838
tors. eta vs tors. theta energy: -46.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -486.603121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.603121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.603121 (E_RNA)
where:
Base-Base interactions energy: -333.641
where: short stacking energy: -137.702
Base-Backbone interact. energy: -1.064
local terms energy: -151.898181
where:
bonds (distance) C4'-P energy: -29.665
bonds (distance) P-C4' energy: -32.011
flat angles C4'-P-C4' energy: -31.809
flat angles P-C4'-P energy: -23.704
tors. eta vs tors. theta energy: -34.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -382.296838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.296838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.296838 (E_RNA)
where:
Base-Base interactions energy: -237.738
where: short stacking energy: -130.250
Base-Backbone interact. energy: 1.583
local terms energy: -146.141838
where:
bonds (distance) C4'-P energy: -34.284
bonds (distance) P-C4' energy: -28.637
flat angles C4'-P-C4' energy: -31.312
flat angles P-C4'-P energy: -15.506
tors. eta vs tors. theta energy: -36.402
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: 9, replica: 4
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -336.863061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.863061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.863061 (E_RNA)
where:
Base-Base interactions energy: -232.753
where: short stacking energy: -95.482
Base-Backbone interact. energy: -0.409
local terms energy: -103.701234
where:
bonds (distance) C4'-P energy: -24.087
bonds (distance) P-C4' energy: -30.100
flat angles C4'-P-C4' energy: -27.204
flat angles P-C4'-P energy: -15.161
tors. eta vs tors. theta energy: -7.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -313.555118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.555118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.555118 (E_RNA)
where:
Base-Base interactions energy: -207.100
where: short stacking energy: -112.030
Base-Backbone interact. energy: 0.267
local terms energy: -106.722309
where:
bonds (distance) C4'-P energy: -27.863
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -26.310
flat angles P-C4'-P energy: -15.967
tors. eta vs tors. theta energy: -20.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -602.183706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.183706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.183706 (E_RNA)
where:
Base-Base interactions energy: -435.785
where: short stacking energy: -166.141
Base-Backbone interact. energy: -0.379
local terms energy: -166.019703
where:
bonds (distance) C4'-P energy: -29.721
bonds (distance) P-C4' energy: -29.816
flat angles C4'-P-C4' energy: -36.083
flat angles P-C4'-P energy: -26.329
tors. eta vs tors. theta energy: -44.071
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: 9
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -569.145883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.145883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.145883 (E_RNA)
where:
Base-Base interactions energy: -388.417
where: short stacking energy: -148.901
Base-Backbone interact. energy: -0.989
local terms energy: -179.739598
where:
bonds (distance) C4'-P energy: -37.077
bonds (distance) P-C4' energy: -35.576
flat angles C4'-P-C4' energy: -37.006
flat angles P-C4'-P energy: -24.622
tors. eta vs tors. theta energy: -45.458
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: 8
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -567.455540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.455540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.455540 (E_RNA)
where:
Base-Base interactions energy: -395.316
where: short stacking energy: -167.414
Base-Backbone interact. energy: -0.328
local terms energy: -171.811842
where:
bonds (distance) C4'-P energy: -32.006
bonds (distance) P-C4' energy: -30.251
flat angles C4'-P-C4' energy: -36.997
flat angles P-C4'-P energy: -23.903
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: 4, replica: 5
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -552.561907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.561907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.561907 (E_RNA)
where:
Base-Base interactions energy: -386.350
where: short stacking energy: -168.942
Base-Backbone interact. energy: -0.334
local terms energy: -165.878222
where:
bonds (distance) C4'-P energy: -31.850
bonds (distance) P-C4' energy: -30.048
flat angles C4'-P-C4' energy: -34.696
flat angles P-C4'-P energy: -28.516
tors. eta vs tors. theta energy: -40.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -536.362250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.362250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.362250 (E_RNA)
where:
Base-Base interactions energy: -383.750
where: short stacking energy: -159.770
Base-Backbone interact. energy: -1.405
local terms energy: -151.207147
where:
bonds (distance) C4'-P energy: -25.118
bonds (distance) P-C4' energy: -30.373
flat angles C4'-P-C4' energy: -32.035
flat angles P-C4'-P energy: -24.825
tors. eta vs tors. theta energy: -38.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -488.903838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.903838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.903838 (E_RNA)
where:
Base-Base interactions energy: -337.200
where: short stacking energy: -136.161
Base-Backbone interact. energy: -1.009
local terms energy: -150.694274
where:
bonds (distance) C4'-P energy: -36.713
bonds (distance) P-C4' energy: -26.825
flat angles C4'-P-C4' energy: -31.497
flat angles P-C4'-P energy: -21.733
tors. eta vs tors. theta energy: -33.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -495.007581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.007581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.007581 (E_RNA)
where:
Base-Base interactions energy: -343.347
where: short stacking energy: -147.937
Base-Backbone interact. energy: -1.539
local terms energy: -150.121940
where:
bonds (distance) C4'-P energy: -33.072
bonds (distance) P-C4' energy: -27.364
flat angles C4'-P-C4' energy: -27.916
flat angles P-C4'-P energy: -18.444
tors. eta vs tors. theta energy: -43.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -378.628808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.628808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.628808 (E_RNA)
where:
Base-Base interactions energy: -251.720
where: short stacking energy: -116.028
Base-Backbone interact. energy: -0.412
local terms energy: -126.496783
where:
bonds (distance) C4'-P energy: -28.140
bonds (distance) P-C4' energy: -26.787
flat angles C4'-P-C4' energy: -30.377
flat angles P-C4'-P energy: -16.399
tors. eta vs tors. theta energy: -24.795
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: 4
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -347.221259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.221259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.221259 (E_RNA)
where:
Base-Base interactions energy: -234.082
where: short stacking energy: -98.969
Base-Backbone interact. energy: 0.181
local terms energy: -113.320533
where:
bonds (distance) C4'-P energy: -23.790
bonds (distance) P-C4' energy: -31.382
flat angles C4'-P-C4' energy: -27.605
flat angles P-C4'-P energy: -14.866
tors. eta vs tors. theta energy: -15.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -327.004216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.004216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.004216 (E_RNA)
where:
Base-Base interactions energy: -216.455
where: short stacking energy: -105.119
Base-Backbone interact. energy: -0.505
local terms energy: -110.045063
where:
bonds (distance) C4'-P energy: -22.865
bonds (distance) P-C4' energy: -20.421
flat angles C4'-P-C4' energy: -30.857
flat angles P-C4'-P energy: -17.316
tors. eta vs tors. theta energy: -18.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -618.095055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.095055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.095055 (E_RNA)
where:
Base-Base interactions energy: -440.968
where: short stacking energy: -174.385
Base-Backbone interact. energy: -1.466
local terms energy: -175.661074
where:
bonds (distance) C4'-P energy: -29.199
bonds (distance) P-C4' energy: -32.812
flat angles C4'-P-C4' energy: -36.967
flat angles P-C4'-P energy: -24.720
tors. eta vs tors. theta energy: -51.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -571.575351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.575351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.575351 (E_RNA)
where:
Base-Base interactions energy: -398.622
where: short stacking energy: -175.869
Base-Backbone interact. energy: -0.301
local terms energy: -172.652727
where:
bonds (distance) C4'-P energy: -28.736
bonds (distance) P-C4' energy: -32.126
flat angles C4'-P-C4' energy: -35.224
flat angles P-C4'-P energy: -25.756
tors. eta vs tors. theta energy: -50.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -572.770033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.770033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.770033 (E_RNA)
where:
Base-Base interactions energy: -400.620
where: short stacking energy: -170.133
Base-Backbone interact. energy: -1.761
local terms energy: -170.388780
where:
bonds (distance) C4'-P energy: -30.277
bonds (distance) P-C4' energy: -30.665
flat angles C4'-P-C4' energy: -33.554
flat angles P-C4'-P energy: -24.132
tors. eta vs tors. theta energy: -51.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -560.701282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.701282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.701282 (E_RNA)
where:
Base-Base interactions energy: -384.032
where: short stacking energy: -170.730
Base-Backbone interact. energy: 0.180
local terms energy: -176.848958
where:
bonds (distance) C4'-P energy: -30.201
bonds (distance) P-C4' energy: -35.037
flat angles C4'-P-C4' energy: -37.620
flat angles P-C4'-P energy: -24.786
tors. eta vs tors. theta energy: -49.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -513.661254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.661254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.661254 (E_RNA)
where:
Base-Base interactions energy: -369.043
where: short stacking energy: -169.989
Base-Backbone interact. energy: -1.517
local terms energy: -143.101710
where:
bonds (distance) C4'-P energy: -29.622
bonds (distance) P-C4' energy: -24.425
flat angles C4'-P-C4' energy: -28.215
flat angles P-C4'-P energy: -20.995
tors. eta vs tors. theta energy: -39.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -513.054384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.054384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.054384 (E_RNA)
where:
Base-Base interactions energy: -355.790
where: short stacking energy: -147.869
Base-Backbone interact. energy: -0.197
local terms energy: -157.067623
where:
bonds (distance) C4'-P energy: -27.900
bonds (distance) P-C4' energy: -31.888
flat angles C4'-P-C4' energy: -35.067
flat angles P-C4'-P energy: -25.444
tors. eta vs tors. theta energy: -36.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -509.989181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.989181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.989181 (E_RNA)
where:
Base-Base interactions energy: -345.708
where: short stacking energy: -150.788
Base-Backbone interact. energy: -0.648
local terms energy: -163.633092
where:
bonds (distance) C4'-P energy: -28.289
bonds (distance) P-C4' energy: -33.845
flat angles C4'-P-C4' energy: -34.238
flat angles P-C4'-P energy: -20.485
tors. eta vs tors. theta energy: -46.776
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: 8, replica: 1
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -415.057712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.057712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.057712 (E_RNA)
where:
Base-Base interactions energy: -283.696
where: short stacking energy: -127.416
Base-Backbone interact. energy: -0.882
local terms energy: -130.479259
where:
bonds (distance) C4'-P energy: -26.021
bonds (distance) P-C4' energy: -29.625
flat angles C4'-P-C4' energy: -27.199
flat angles P-C4'-P energy: -25.715
tors. eta vs tors. theta energy: -21.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -375.188106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.188106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.188106 (E_RNA)
where:
Base-Base interactions energy: -237.589
where: short stacking energy: -109.350
Base-Backbone interact. energy: -0.653
local terms energy: -136.946428
where:
bonds (distance) C4'-P energy: -30.525
bonds (distance) P-C4' energy: -25.990
flat angles C4'-P-C4' energy: -28.681
flat angles P-C4'-P energy: -24.286
tors. eta vs tors. theta energy: -27.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -343.437179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.437179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.437179 (E_RNA)
where:
Base-Base interactions energy: -210.582
where: short stacking energy: -97.550
Base-Backbone interact. energy: -0.475
local terms energy: -132.380292
where:
bonds (distance) C4'-P energy: -22.456
bonds (distance) P-C4' energy: -35.152
flat angles C4'-P-C4' energy: -24.215
flat angles P-C4'-P energy: -20.640
tors. eta vs tors. theta energy: -29.918
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: 1, replica: 2
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -611.812298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.812298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.812298 (E_RNA)
where:
Base-Base interactions energy: -445.659
where: short stacking energy: -179.339
Base-Backbone interact. energy: -0.500
local terms energy: -165.653501
where:
bonds (distance) C4'-P energy: -31.394
bonds (distance) P-C4' energy: -28.966
flat angles C4'-P-C4' energy: -36.776
flat angles P-C4'-P energy: -25.035
tors. eta vs tors. theta energy: -43.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -574.639967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.639967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.639967 (E_RNA)
where:
Base-Base interactions energy: -402.972
where: short stacking energy: -163.749
Base-Backbone interact. energy: -0.105
local terms energy: -171.562807
where:
bonds (distance) C4'-P energy: -31.428
bonds (distance) P-C4' energy: -29.995
flat angles C4'-P-C4' energy: -39.394
flat angles P-C4'-P energy: -26.090
tors. eta vs tors. theta energy: -44.656
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: 9
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -570.830080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.830080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.830080 (E_RNA)
where:
Base-Base interactions energy: -402.116
where: short stacking energy: -161.785
Base-Backbone interact. energy: 0.099
local terms energy: -168.812799
where:
bonds (distance) C4'-P energy: -34.752
bonds (distance) P-C4' energy: -27.801
flat angles C4'-P-C4' energy: -31.615
flat angles P-C4'-P energy: -30.997
tors. eta vs tors. theta energy: -43.648
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: 5
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -553.144410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.144410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.144410 (E_RNA)
where:
Base-Base interactions energy: -385.934
where: short stacking energy: -166.934
Base-Backbone interact. energy: -0.898
local terms energy: -166.313031
where:
bonds (distance) C4'-P energy: -35.989
bonds (distance) P-C4' energy: -24.354
flat angles C4'-P-C4' energy: -35.916
flat angles P-C4'-P energy: -23.349
tors. eta vs tors. theta energy: -46.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -518.943209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.943209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.943209 (E_RNA)
where:
Base-Base interactions energy: -352.884
where: short stacking energy: -145.449
Base-Backbone interact. energy: -0.187
local terms energy: -165.871861
where:
bonds (distance) C4'-P energy: -31.853
bonds (distance) P-C4' energy: -32.829
flat angles C4'-P-C4' energy: -34.280
flat angles P-C4'-P energy: -23.732
tors. eta vs tors. theta energy: -43.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -522.377779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.377779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.377779 (E_RNA)
where:
Base-Base interactions energy: -361.180
where: short stacking energy: -163.766
Base-Backbone interact. energy: 0.041
local terms energy: -161.239014
where:
bonds (distance) C4'-P energy: -31.140
bonds (distance) P-C4' energy: -27.797
flat angles C4'-P-C4' energy: -31.455
flat angles P-C4'-P energy: -21.391
tors. eta vs tors. theta energy: -49.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -514.398803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.398803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.398803 (E_RNA)
where:
Base-Base interactions energy: -355.167
where: short stacking energy: -145.156
Base-Backbone interact. energy: -1.597
local terms energy: -157.635125
where:
bonds (distance) C4'-P energy: -31.183
bonds (distance) P-C4' energy: -33.412
flat angles C4'-P-C4' energy: -32.584
flat angles P-C4'-P energy: -18.361
tors. eta vs tors. theta energy: -42.095
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: 4
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -441.622617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.622617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.622617 (E_RNA)
where:
Base-Base interactions energy: -306.775
where: short stacking energy: -132.748
Base-Backbone interact. energy: -1.102
local terms energy: -133.745355
where:
bonds (distance) C4'-P energy: -19.562
bonds (distance) P-C4' energy: -28.996
flat angles C4'-P-C4' energy: -32.418
flat angles P-C4'-P energy: -22.645
tors. eta vs tors. theta energy: -30.125
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: 1
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -403.523981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.523981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.523981 (E_RNA)
where:
Base-Base interactions energy: -285.869
where: short stacking energy: -128.100
Base-Backbone interact. energy: -0.243
local terms energy: -117.411914
where:
bonds (distance) C4'-P energy: -21.085
bonds (distance) P-C4' energy: -27.715
flat angles C4'-P-C4' energy: -28.015
flat angles P-C4'-P energy: -16.419
tors. eta vs tors. theta energy: -24.177
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: 3
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -331.965955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.965955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.965955 (E_RNA)
where:
Base-Base interactions energy: -204.308
where: short stacking energy: -92.842
Base-Backbone interact. energy: -0.106
local terms energy: -127.551628
where:
bonds (distance) C4'-P energy: -34.618
bonds (distance) P-C4' energy: -30.234
flat angles C4'-P-C4' energy: -28.466
flat angles P-C4'-P energy: -18.243
tors. eta vs tors. theta energy: -15.990
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: 8
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -580.276226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.276226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.276226 (E_RNA)
where:
Base-Base interactions energy: -403.993
where: short stacking energy: -178.888
Base-Backbone interact. energy: -0.364
local terms energy: -175.918627
where:
bonds (distance) C4'-P energy: -28.239
bonds (distance) P-C4' energy: -32.201
flat angles C4'-P-C4' energy: -36.275
flat angles P-C4'-P energy: -28.910
tors. eta vs tors. theta energy: -50.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -599.055645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.055645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.055645 (E_RNA)
where:
Base-Base interactions energy: -427.975
where: short stacking energy: -170.810
Base-Backbone interact. energy: -2.009
local terms energy: -169.072204
where:
bonds (distance) C4'-P energy: -33.128
bonds (distance) P-C4' energy: -30.888
flat angles C4'-P-C4' energy: -34.967
flat angles P-C4'-P energy: -22.429
tors. eta vs tors. theta energy: -47.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -565.567301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.567301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.567301 (E_RNA)
where:
Base-Base interactions energy: -389.670
where: short stacking energy: -161.567
Base-Backbone interact. energy: 3.004
local terms energy: -178.901175
where:
bonds (distance) C4'-P energy: -32.831
bonds (distance) P-C4' energy: -35.370
flat angles C4'-P-C4' energy: -35.369
flat angles P-C4'-P energy: -28.592
tors. eta vs tors. theta energy: -46.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -563.615403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.615403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.615403 (E_RNA)
where:
Base-Base interactions energy: -404.592
where: short stacking energy: -155.336
Base-Backbone interact. energy: -1.413
local terms energy: -157.610489
where:
bonds (distance) C4'-P energy: -21.678
bonds (distance) P-C4' energy: -30.247
flat angles C4'-P-C4' energy: -33.085
flat angles P-C4'-P energy: -26.200
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: 5, replica: 10
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -516.703339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.703339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.703339 (E_RNA)
where:
Base-Base interactions energy: -363.356
where: short stacking energy: -148.949
Base-Backbone interact. energy: -1.602
local terms energy: -151.745085
where:
bonds (distance) C4'-P energy: -22.711
bonds (distance) P-C4' energy: -31.693
flat angles C4'-P-C4' energy: -30.188
flat angles P-C4'-P energy: -23.688
tors. eta vs tors. theta energy: -43.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -510.929676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.929676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.929676 (E_RNA)
where:
Base-Base interactions energy: -346.443
where: short stacking energy: -155.687
Base-Backbone interact. energy: -0.203
local terms energy: -164.282962
where:
bonds (distance) C4'-P energy: -32.436
bonds (distance) P-C4' energy: -27.184
flat angles C4'-P-C4' energy: -32.797
flat angles P-C4'-P energy: -24.668
tors. eta vs tors. theta energy: -47.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -511.712980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.712980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.712980 (E_RNA)
where:
Base-Base interactions energy: -364.989
where: short stacking energy: -148.905
Base-Backbone interact. energy: -0.247
local terms energy: -146.477005
where:
bonds (distance) C4'-P energy: -32.877
bonds (distance) P-C4' energy: -26.663
flat angles C4'-P-C4' energy: -29.497
flat angles P-C4'-P energy: -15.577
tors. eta vs tors. theta energy: -41.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -439.474815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.474815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.474815 (E_RNA)
where:
Base-Base interactions energy: -303.740
where: short stacking energy: -123.070
Base-Backbone interact. energy: -0.178
local terms energy: -135.556670
where:
bonds (distance) C4'-P energy: -28.679
bonds (distance) P-C4' energy: -26.500
flat angles C4'-P-C4' energy: -27.326
flat angles P-C4'-P energy: -24.955
tors. eta vs tors. theta energy: -28.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -410.516188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.516188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.516188 (E_RNA)
where:
Base-Base interactions energy: -280.700
where: short stacking energy: -120.125
Base-Backbone interact. energy: -0.509
local terms energy: -129.307248
where:
bonds (distance) C4'-P energy: -23.215
bonds (distance) P-C4' energy: -26.908
flat angles C4'-P-C4' energy: -34.733
flat angles P-C4'-P energy: -20.695
tors. eta vs tors. theta energy: -23.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -340.355236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.355236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.355236 (E_RNA)
where:
Base-Base interactions energy: -212.033
where: short stacking energy: -95.421
Base-Backbone interact. energy: -0.808
local terms energy: -127.514897
where:
bonds (distance) C4'-P energy: -32.848
bonds (distance) P-C4' energy: -30.250
flat angles C4'-P-C4' energy: -30.644
flat angles P-C4'-P energy: -16.725
tors. eta vs tors. theta energy: -17.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -586.879746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.879746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.879746 (E_RNA)
where:
Base-Base interactions energy: -412.084
where: short stacking energy: -177.118
Base-Backbone interact. energy: -1.442
local terms energy: -173.353953
where:
bonds (distance) C4'-P energy: -32.978
bonds (distance) P-C4' energy: -29.881
flat angles C4'-P-C4' energy: -30.577
flat angles P-C4'-P energy: -29.245
tors. eta vs tors. theta energy: -50.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -610.724010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.724010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.724010 (E_RNA)
where:
Base-Base interactions energy: -442.817
where: short stacking energy: -181.769
Base-Backbone interact. energy: -0.295
local terms energy: -167.611713
where:
bonds (distance) C4'-P energy: -30.217
bonds (distance) P-C4' energy: -32.946
flat angles C4'-P-C4' energy: -38.441
flat angles P-C4'-P energy: -22.241
tors. eta vs tors. theta energy: -43.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -575.915923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.915923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.915923 (E_RNA)
where:
Base-Base interactions energy: -401.384
where: short stacking energy: -178.661
Base-Backbone interact. energy: -0.140
local terms energy: -174.391810
where:
bonds (distance) C4'-P energy: -31.255
bonds (distance) P-C4' energy: -31.647
flat angles C4'-P-C4' energy: -36.279
flat angles P-C4'-P energy: -24.019
tors. eta vs tors. theta energy: -51.191
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: 9
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -548.280334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.280334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.280334 (E_RNA)
where:
Base-Base interactions energy: -386.610
where: short stacking energy: -164.573
Base-Backbone interact. energy: -0.383
local terms energy: -161.287268
where:
bonds (distance) C4'-P energy: -27.811
bonds (distance) P-C4' energy: -27.157
flat angles C4'-P-C4' energy: -34.602
flat angles P-C4'-P energy: -20.301
tors. eta vs tors. theta energy: -51.416
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: 5, replica: 10
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -512.899099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.899099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.899099 (E_RNA)
where:
Base-Base interactions energy: -354.253
where: short stacking energy: -141.130
Base-Backbone interact. energy: -1.004
local terms energy: -157.641711
where:
bonds (distance) C4'-P energy: -29.065
bonds (distance) P-C4' energy: -31.784
flat angles C4'-P-C4' energy: -34.141
flat angles P-C4'-P energy: -28.000
tors. eta vs tors. theta energy: -34.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -523.326788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.326788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.326788 (E_RNA)
where:
Base-Base interactions energy: -359.411
where: short stacking energy: -170.590
Base-Backbone interact. energy: -0.211
local terms energy: -163.704324
where:
bonds (distance) C4'-P energy: -30.987
bonds (distance) P-C4' energy: -28.220
flat angles C4'-P-C4' energy: -29.801
flat angles P-C4'-P energy: -23.983
tors. eta vs tors. theta energy: -50.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -493.788610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.788610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.788610 (E_RNA)
where:
Base-Base interactions energy: -343.330
where: short stacking energy: -140.595
Base-Backbone interact. energy: 0.003
local terms energy: -150.461208
where:
bonds (distance) C4'-P energy: -23.280
bonds (distance) P-C4' energy: -27.662
flat angles C4'-P-C4' energy: -30.503
flat angles P-C4'-P energy: -22.749
tors. eta vs tors. theta energy: -46.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -463.706078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.706078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.706078 (E_RNA)
where:
Base-Base interactions energy: -317.970
where: short stacking energy: -146.894
Base-Backbone interact. energy: -1.256
local terms energy: -144.479733
where:
bonds (distance) C4'-P energy: -30.740
bonds (distance) P-C4' energy: -18.289
flat angles C4'-P-C4' energy: -32.873
flat angles P-C4'-P energy: -19.614
tors. eta vs tors. theta energy: -42.965
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: 1
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -372.055917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.055917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.055917 (E_RNA)
where:
Base-Base interactions energy: -248.747
where: short stacking energy: -111.898
Base-Backbone interact. energy: -1.282
local terms energy: -122.026622
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -32.433
flat angles C4'-P-C4' energy: -28.292
flat angles P-C4'-P energy: -22.678
tors. eta vs tors. theta energy: -25.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -331.226872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.226872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.226872 (E_RNA)
where:
Base-Base interactions energy: -220.175
where: short stacking energy: -110.347
Base-Backbone interact. energy: -1.052
local terms energy: -109.999942
where:
bonds (distance) C4'-P energy: -16.298
bonds (distance) P-C4' energy: -29.810
flat angles C4'-P-C4' energy: -25.590
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -26.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -602.744814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.744814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.744814 (E_RNA)
where:
Base-Base interactions energy: -438.635
where: short stacking energy: -166.848
Base-Backbone interact. energy: -1.185
local terms energy: -162.924741
where:
bonds (distance) C4'-P energy: -31.200
bonds (distance) P-C4' energy: -32.910
flat angles C4'-P-C4' energy: -36.903
flat angles P-C4'-P energy: -20.556
tors. eta vs tors. theta energy: -41.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -580.948642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.948642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.948642 (E_RNA)
where:
Base-Base interactions energy: -404.598
where: short stacking energy: -177.335
Base-Backbone interact. energy: -1.700
local terms energy: -174.651296
where:
bonds (distance) C4'-P energy: -34.214
bonds (distance) P-C4' energy: -35.483
flat angles C4'-P-C4' energy: -34.761
flat angles P-C4'-P energy: -18.872
tors. eta vs tors. theta energy: -51.322
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: 9
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -564.241525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.241525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.241525 (E_RNA)
where:
Base-Base interactions energy: -402.160
where: short stacking energy: -161.003
Base-Backbone interact. energy: -0.270
local terms energy: -161.811067
where:
bonds (distance) C4'-P energy: -31.585
bonds (distance) P-C4' energy: -30.687
flat angles C4'-P-C4' energy: -32.008
flat angles P-C4'-P energy: -22.570
tors. eta vs tors. theta energy: -44.961
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: 5
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -560.706340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.706340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.706340 (E_RNA)
where:
Base-Base interactions energy: -390.433
where: short stacking energy: -164.679
Base-Backbone interact. energy: -0.115
local terms energy: -170.158465
where:
bonds (distance) C4'-P energy: -33.928
bonds (distance) P-C4' energy: -33.253
flat angles C4'-P-C4' energy: -29.717
flat angles P-C4'-P energy: -22.150
tors. eta vs tors. theta energy: -51.111
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: 6
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -518.215584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.215584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.215584 (E_RNA)
where:
Base-Base interactions energy: -362.235
where: short stacking energy: -167.750
Base-Backbone interact. energy: -0.407
local terms energy: -155.574221
where:
bonds (distance) C4'-P energy: -26.665
bonds (distance) P-C4' energy: -25.807
flat angles C4'-P-C4' energy: -31.067
flat angles P-C4'-P energy: -24.867
tors. eta vs tors. theta energy: -47.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -509.552571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.552571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.552571 (E_RNA)
where:
Base-Base interactions energy: -359.446
where: short stacking energy: -159.353
Base-Backbone interact. energy: -0.116
local terms energy: -149.991316
where:
bonds (distance) C4'-P energy: -32.682
bonds (distance) P-C4' energy: -22.214
flat angles C4'-P-C4' energy: -29.574
flat angles P-C4'-P energy: -20.909
tors. eta vs tors. theta energy: -44.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -496.452180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.452180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.452180 (E_RNA)
where:
Base-Base interactions energy: -337.467
where: short stacking energy: -156.327
Base-Backbone interact. energy: -0.364
local terms energy: -158.621448
where:
bonds (distance) C4'-P energy: -34.078
bonds (distance) P-C4' energy: -26.875
flat angles C4'-P-C4' energy: -34.233
flat angles P-C4'-P energy: -18.275
tors. eta vs tors. theta energy: -45.161
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: 7
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -456.204857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.204857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.204857 (E_RNA)
where:
Base-Base interactions energy: -324.017
where: short stacking energy: -126.328
Base-Backbone interact. energy: 3.211
local terms energy: -135.399218
where:
bonds (distance) C4'-P energy: -27.139
bonds (distance) P-C4' energy: -31.762
flat angles C4'-P-C4' energy: -29.468
flat angles P-C4'-P energy: -16.783
tors. eta vs tors. theta energy: -30.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -413.929063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.929063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.929063 (E_RNA)
where:
Base-Base interactions energy: -295.951
where: short stacking energy: -127.429
Base-Backbone interact. energy: 0.009
local terms energy: -117.987428
where:
bonds (distance) C4'-P energy: -21.197
bonds (distance) P-C4' energy: -28.123
flat angles C4'-P-C4' energy: -25.018
flat angles P-C4'-P energy: -18.188
tors. eta vs tors. theta energy: -25.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -284.110242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.110242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.110242 (E_RNA)
where:
Base-Base interactions energy: -171.312
where: short stacking energy: -83.208
Base-Backbone interact. energy: -1.073
local terms energy: -111.725381
where:
bonds (distance) C4'-P energy: -19.388
bonds (distance) P-C4' energy: -30.022
flat angles C4'-P-C4' energy: -28.009
flat angles P-C4'-P energy: -14.985
tors. eta vs tors. theta energy: -19.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -611.322502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.322502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.322502 (E_RNA)
where:
Base-Base interactions energy: -431.135
where: short stacking energy: -173.852
Base-Backbone interact. energy: -1.993
local terms energy: -178.193898
where:
bonds (distance) C4'-P energy: -38.092
bonds (distance) P-C4' energy: -30.679
flat angles C4'-P-C4' energy: -38.861
flat angles P-C4'-P energy: -25.106
tors. eta vs tors. theta energy: -45.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -572.338181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.338181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.338181 (E_RNA)
where:
Base-Base interactions energy: -401.537
where: short stacking energy: -169.654
Base-Backbone interact. energy: -1.261
local terms energy: -169.540087
where:
bonds (distance) C4'-P energy: -29.017
bonds (distance) P-C4' energy: -24.978
flat angles C4'-P-C4' energy: -38.081
flat angles P-C4'-P energy: -26.763
tors. eta vs tors. theta energy: -50.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -561.137818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.137818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.137818 (E_RNA)
where:
Base-Base interactions energy: -388.360
where: short stacking energy: -172.685
Base-Backbone interact. energy: -0.998
local terms energy: -171.779292
where:
bonds (distance) C4'-P energy: -36.545
bonds (distance) P-C4' energy: -29.870
flat angles C4'-P-C4' energy: -38.910
flat angles P-C4'-P energy: -22.032
tors. eta vs tors. theta energy: -44.422
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: 5
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -556.706103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.706103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.706103 (E_RNA)
where:
Base-Base interactions energy: -390.432
where: short stacking energy: -168.781
Base-Backbone interact. energy: -0.299
local terms energy: -165.974592
where:
bonds (distance) C4'-P energy: -28.130
bonds (distance) P-C4' energy: -33.364
flat angles C4'-P-C4' energy: -35.048
flat angles P-C4'-P energy: -18.514
tors. eta vs tors. theta energy: -50.919
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: 6
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -527.310910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.310910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.310910 (E_RNA)
where:
Base-Base interactions energy: -374.456
where: short stacking energy: -170.128
Base-Backbone interact. energy: -0.518
local terms energy: -152.337203
where:
bonds (distance) C4'-P energy: -24.626
bonds (distance) P-C4' energy: -28.609
flat angles C4'-P-C4' energy: -33.039
flat angles P-C4'-P energy: -18.495
tors. eta vs tors. theta energy: -47.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -476.790219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.790219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.790219 (E_RNA)
where:
Base-Base interactions energy: -339.166
where: short stacking energy: -154.249
Base-Backbone interact. energy: -0.252
local terms energy: -137.372800
where:
bonds (distance) C4'-P energy: -25.879
bonds (distance) P-C4' energy: -26.867
flat angles C4'-P-C4' energy: -27.068
flat angles P-C4'-P energy: -21.095
tors. eta vs tors. theta energy: -36.464
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: 4
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -451.644361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.644361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.644361 (E_RNA)
where:
Base-Base interactions energy: -314.732
where: short stacking energy: -133.926
Base-Backbone interact. energy: -0.534
local terms energy: -136.378588
where:
bonds (distance) C4'-P energy: -30.575
bonds (distance) P-C4' energy: -27.139
flat angles C4'-P-C4' energy: -24.731
flat angles P-C4'-P energy: -25.568
tors. eta vs tors. theta energy: -28.366
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: 1
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -437.024168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.024168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.024168 (E_RNA)
where:
Base-Base interactions energy: -287.265
where: short stacking energy: -128.575
Base-Backbone interact. energy: -0.092
local terms energy: -149.666795
where:
bonds (distance) C4'-P energy: -35.443
bonds (distance) P-C4' energy: -28.450
flat angles C4'-P-C4' energy: -30.792
flat angles P-C4'-P energy: -20.842
tors. eta vs tors. theta energy: -34.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -465.131626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.131626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.131626 (E_RNA)
where:
Base-Base interactions energy: -328.641
where: short stacking energy: -140.765
Base-Backbone interact. energy: 0.065
local terms energy: -136.555290
where:
bonds (distance) C4'-P energy: -19.481
bonds (distance) P-C4' energy: -29.825
flat angles C4'-P-C4' energy: -25.558
flat angles P-C4'-P energy: -26.834
tors. eta vs tors. theta energy: -34.857
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: 3
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -306.651191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.651191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.651191 (E_RNA)
where:
Base-Base interactions energy: -186.428
where: short stacking energy: -99.111
Base-Backbone interact. energy: 1.687
local terms energy: -121.910299
where:
bonds (distance) C4'-P energy: -27.622
bonds (distance) P-C4' energy: -25.127
flat angles C4'-P-C4' energy: -28.238
flat angles P-C4'-P energy: -21.016
tors. eta vs tors. theta energy: -19.908
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: 2
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -611.507593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.507593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.507593 (E_RNA)
where:
Base-Base interactions energy: -435.838
where: short stacking energy: -183.595
Base-Backbone interact. energy: -0.131
local terms energy: -175.538838
where:
bonds (distance) C4'-P energy: -28.463
bonds (distance) P-C4' energy: -34.800
flat angles C4'-P-C4' energy: -37.977
flat angles P-C4'-P energy: -24.943
tors. eta vs tors. theta energy: -49.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -568.856009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.856009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.856009 (E_RNA)
where:
Base-Base interactions energy: -399.510
where: short stacking energy: -178.105
Base-Backbone interact. energy: -0.625
local terms energy: -168.720960
where:
bonds (distance) C4'-P energy: -31.073
bonds (distance) P-C4' energy: -34.143
flat angles C4'-P-C4' energy: -30.351
flat angles P-C4'-P energy: -24.368
tors. eta vs tors. theta energy: -48.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -574.163591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.163591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.163591 (E_RNA)
where:
Base-Base interactions energy: -397.602
where: short stacking energy: -176.022
Base-Backbone interact. energy: -0.583
local terms energy: -175.978344
where:
bonds (distance) C4'-P energy: -32.428
bonds (distance) P-C4' energy: -31.757
flat angles C4'-P-C4' energy: -36.489
flat angles P-C4'-P energy: -22.840
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: 4, replica: 9
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -554.957661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.957661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.957661 (E_RNA)
where:
Base-Base interactions energy: -404.065
where: short stacking energy: -172.927
Base-Backbone interact. energy: -1.118
local terms energy: -149.774573
where:
bonds (distance) C4'-P energy: -25.904
bonds (distance) P-C4' energy: -30.053
flat angles C4'-P-C4' energy: -30.172
flat angles P-C4'-P energy: -18.881
tors. eta vs tors. theta energy: -44.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -532.382535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.382535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.382535 (E_RNA)
where:
Base-Base interactions energy: -360.755
where: short stacking energy: -167.791
Base-Backbone interact. energy: 1.616
local terms energy: -173.243806
where:
bonds (distance) C4'-P energy: -30.309
bonds (distance) P-C4' energy: -38.423
flat angles C4'-P-C4' energy: -35.039
flat angles P-C4'-P energy: -19.607
tors. eta vs tors. theta energy: -49.866
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: 10
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -481.179831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.179831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.179831 (E_RNA)
where:
Base-Base interactions energy: -342.170
where: short stacking energy: -148.521
Base-Backbone interact. energy: -0.190
local terms energy: -138.819795
where:
bonds (distance) C4'-P energy: -22.045
bonds (distance) P-C4' energy: -29.869
flat angles C4'-P-C4' energy: -25.573
flat angles P-C4'-P energy: -19.718
tors. eta vs tors. theta energy: -41.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -455.764460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.764460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.764460 (E_RNA)
where:
Base-Base interactions energy: -304.913
where: short stacking energy: -146.747
Base-Backbone interact. energy: -0.228
local terms energy: -150.623137
where:
bonds (distance) C4'-P energy: -27.091
bonds (distance) P-C4' energy: -31.424
flat angles C4'-P-C4' energy: -30.205
flat angles P-C4'-P energy: -23.167
tors. eta vs tors. theta energy: -38.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -459.224755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.224755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.224755 (E_RNA)
where:
Base-Base interactions energy: -328.624
where: short stacking energy: -135.617
Base-Backbone interact. energy: -0.818
local terms energy: -129.782461
where:
bonds (distance) C4'-P energy: -28.985
bonds (distance) P-C4' energy: -30.982
flat angles C4'-P-C4' energy: -25.142
flat angles P-C4'-P energy: -14.294
tors. eta vs tors. theta energy: -30.380
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: 7
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -464.438521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.438521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.438521 (E_RNA)
where:
Base-Base interactions energy: -326.942
where: short stacking energy: -144.760
Base-Backbone interact. energy: 0.959
local terms energy: -138.455435
where:
bonds (distance) C4'-P energy: -20.882
bonds (distance) P-C4' energy: -31.638
flat angles C4'-P-C4' energy: -26.456
flat angles P-C4'-P energy: -19.997
tors. eta vs tors. theta energy: -39.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -320.893437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.893437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.893437 (E_RNA)
where:
Base-Base interactions energy: -193.655
where: short stacking energy: -89.301
Base-Backbone interact. energy: -0.199
local terms energy: -127.040261
where:
bonds (distance) C4'-P energy: -30.524
bonds (distance) P-C4' energy: -35.457
flat angles C4'-P-C4' energy: -27.557
flat angles P-C4'-P energy: -19.104
tors. eta vs tors. theta energy: -14.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -620.606842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.606842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.606842 (E_RNA)
where:
Base-Base interactions energy: -437.453
where: short stacking energy: -177.224
Base-Backbone interact. energy: -0.226
local terms energy: -182.927183
where:
bonds (distance) C4'-P energy: -32.562
bonds (distance) P-C4' energy: -34.168
flat angles C4'-P-C4' energy: -41.078
flat angles P-C4'-P energy: -27.741
tors. eta vs tors. theta energy: -47.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -582.209041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.209041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.209041 (E_RNA)
where:
Base-Base interactions energy: -413.622
where: short stacking energy: -184.500
Base-Backbone interact. energy: -0.803
local terms energy: -167.783594
where:
bonds (distance) C4'-P energy: -27.282
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -31.523
flat angles P-C4'-P energy: -28.608
tors. eta vs tors. theta energy: -51.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -554.765727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.765727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.765727 (E_RNA)
where:
Base-Base interactions energy: -386.408
where: short stacking energy: -169.185
Base-Backbone interact. energy: -0.537
local terms energy: -167.821152
where:
bonds (distance) C4'-P energy: -31.363
bonds (distance) P-C4' energy: -26.602
flat angles C4'-P-C4' energy: -34.870
flat angles P-C4'-P energy: -24.988
tors. eta vs tors. theta energy: -49.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -553.325024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.325024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.325024 (E_RNA)
where:
Base-Base interactions energy: -387.024
where: short stacking energy: -160.255
Base-Backbone interact. energy: -0.429
local terms energy: -165.871678
where:
bonds (distance) C4'-P energy: -29.584
bonds (distance) P-C4' energy: -32.072
flat angles C4'-P-C4' energy: -31.801
flat angles P-C4'-P energy: -22.765
tors. eta vs tors. theta energy: -49.650
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: 6
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -517.131083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.131083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.131083 (E_RNA)
where:
Base-Base interactions energy: -361.101
where: short stacking energy: -158.877
Base-Backbone interact. energy: -0.369
local terms energy: -155.660350
where:
bonds (distance) C4'-P energy: -31.819
bonds (distance) P-C4' energy: -33.848
flat angles C4'-P-C4' energy: -27.865
flat angles P-C4'-P energy: -18.529
tors. eta vs tors. theta energy: -43.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -477.248008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.248008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.248008 (E_RNA)
where:
Base-Base interactions energy: -327.334
where: short stacking energy: -155.798
Base-Backbone interact. energy: -2.471
local terms energy: -147.442734
where:
bonds (distance) C4'-P energy: -25.177
bonds (distance) P-C4' energy: -26.820
flat angles C4'-P-C4' energy: -29.273
flat angles P-C4'-P energy: -22.061
tors. eta vs tors. theta energy: -44.112
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: 7, replica: 10
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -436.765356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.765356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.765356 (E_RNA)
where:
Base-Base interactions energy: -304.879
where: short stacking energy: -120.748
Base-Backbone interact. energy: -1.734
local terms energy: -130.151941
where:
bonds (distance) C4'-P energy: -30.973
bonds (distance) P-C4' energy: -24.240
flat angles C4'-P-C4' energy: -31.366
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -31.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -476.664428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.664428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.664428 (E_RNA)
where:
Base-Base interactions energy: -328.282
where: short stacking energy: -133.409
Base-Backbone interact. energy: -0.257
local terms energy: -148.125374
where:
bonds (distance) C4'-P energy: -28.736
bonds (distance) P-C4' energy: -32.973
flat angles C4'-P-C4' energy: -30.225
flat angles P-C4'-P energy: -22.311
tors. eta vs tors. theta energy: -33.880
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: 4
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -430.095243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.095243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.095243 (E_RNA)
where:
Base-Base interactions energy: -295.078
where: short stacking energy: -138.025
Base-Backbone interact. energy: -0.728
local terms energy: -134.289879
where:
bonds (distance) C4'-P energy: -24.741
bonds (distance) P-C4' energy: -28.882
flat angles C4'-P-C4' energy: -35.371
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -34.596
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: 3
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -311.788763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.788763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.788763 (E_RNA)
where:
Base-Base interactions energy: -198.339
where: short stacking energy: -96.773
Base-Backbone interact. energy: -0.427
local terms energy: -113.022845
where:
bonds (distance) C4'-P energy: -21.533
bonds (distance) P-C4' energy: -20.476
flat angles C4'-P-C4' energy: -34.711
flat angles P-C4'-P energy: -15.965
tors. eta vs tors. theta energy: -20.338
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: 2
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -616.848398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.848398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.848398 (E_RNA)
where:
Base-Base interactions energy: -438.550
where: short stacking energy: -175.930
Base-Backbone interact. energy: -0.849
local terms energy: -177.449538
where:
bonds (distance) C4'-P energy: -33.170
bonds (distance) P-C4' energy: -32.693
flat angles C4'-P-C4' energy: -38.727
flat angles P-C4'-P energy: -24.362
tors. eta vs tors. theta energy: -48.498
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: 5
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -587.983426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.983426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.983426 (E_RNA)
where:
Base-Base interactions energy: -412.592
where: short stacking energy: -182.351
Base-Backbone interact. energy: -0.963
local terms energy: -174.428526
where:
bonds (distance) C4'-P energy: -31.368
bonds (distance) P-C4' energy: -31.118
flat angles C4'-P-C4' energy: -35.739
flat angles P-C4'-P energy: -24.381
tors. eta vs tors. theta energy: -51.823
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: 3, replica: 9
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -520.630082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.630082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.630082 (E_RNA)
where:
Base-Base interactions energy: -367.826
where: short stacking energy: -153.478
Base-Backbone interact. energy: 2.958
local terms energy: -155.762016
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -30.570
flat angles C4'-P-C4' energy: -37.356
flat angles P-C4'-P energy: -24.237
tors. eta vs tors. theta energy: -44.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -529.809323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.809323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.809323 (E_RNA)
where:
Base-Base interactions energy: -367.507
where: short stacking energy: -159.500
Base-Backbone interact. energy: -0.274
local terms energy: -162.028620
where:
bonds (distance) C4'-P energy: -29.833
bonds (distance) P-C4' energy: -26.119
flat angles C4'-P-C4' energy: -33.639
flat angles P-C4'-P energy: -25.257
tors. eta vs tors. theta energy: -47.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -478.370171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.370171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.370171 (E_RNA)
where:
Base-Base interactions energy: -333.691
where: short stacking energy: -159.173
Base-Backbone interact. energy: -2.362
local terms energy: -142.317089
where:
bonds (distance) C4'-P energy: -24.896
bonds (distance) P-C4' energy: -26.114
flat angles C4'-P-C4' energy: -36.350
flat angles P-C4'-P energy: -14.488
tors. eta vs tors. theta energy: -40.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -510.380104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.380104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.380104 (E_RNA)
where:
Base-Base interactions energy: -356.989
where: short stacking energy: -167.721
Base-Backbone interact. energy: -0.649
local terms energy: -152.741808
where:
bonds (distance) C4'-P energy: -26.149
bonds (distance) P-C4' energy: -25.679
flat angles C4'-P-C4' energy: -30.567
flat angles P-C4'-P energy: -25.986
tors. eta vs tors. theta energy: -44.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -464.090839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.090839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.090839 (E_RNA)
where:
Base-Base interactions energy: -325.453
where: short stacking energy: -126.599
Base-Backbone interact. energy: -0.393
local terms energy: -138.244866
where:
bonds (distance) C4'-P energy: -24.955
bonds (distance) P-C4' energy: -29.628
flat angles C4'-P-C4' energy: -34.085
flat angles P-C4'-P energy: -19.505
tors. eta vs tors. theta energy: -30.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -482.957479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.957479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.957479 (E_RNA)
where:
Base-Base interactions energy: -338.109
where: short stacking energy: -147.876
Base-Backbone interact. energy: -0.177
local terms energy: -144.671653
where:
bonds (distance) C4'-P energy: -26.144
bonds (distance) P-C4' energy: -32.559
flat angles C4'-P-C4' energy: -27.284
flat angles P-C4'-P energy: -20.372
tors. eta vs tors. theta energy: -38.313
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: 9, replica: 4
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -439.247698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.247698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.247698 (E_RNA)
where:
Base-Base interactions energy: -301.460
where: short stacking energy: -144.997
Base-Backbone interact. energy: -0.168
local terms energy: -137.619831
where:
bonds (distance) C4'-P energy: -28.889
bonds (distance) P-C4' energy: -28.475
flat angles C4'-P-C4' energy: -30.525
flat angles P-C4'-P energy: -15.311
tors. eta vs tors. theta energy: -34.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -296.704496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.704496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.704496 (E_RNA)
where:
Base-Base interactions energy: -191.918
where: short stacking energy: -98.270
Base-Backbone interact. energy: 2.959
local terms energy: -107.745539
where:
bonds (distance) C4'-P energy: -25.656
bonds (distance) P-C4' energy: -33.059
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -16.698
tors. eta vs tors. theta energy: -16.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -607.794009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.794009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.794009 (E_RNA)
where:
Base-Base interactions energy: -433.415
where: short stacking energy: -173.839
Base-Backbone interact. energy: -1.236
local terms energy: -173.142818
where:
bonds (distance) C4'-P energy: -32.293
bonds (distance) P-C4' energy: -28.985
flat angles C4'-P-C4' energy: -36.838
flat angles P-C4'-P energy: -29.311
tors. eta vs tors. theta energy: -45.717
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: 5
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -588.873680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.873680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.873680 (E_RNA)
where:
Base-Base interactions energy: -406.478
where: short stacking energy: -178.306
Base-Backbone interact. energy: -0.308
local terms energy: -182.087659
where:
bonds (distance) C4'-P energy: -33.411
bonds (distance) P-C4' energy: -33.942
flat angles C4'-P-C4' energy: -34.029
flat angles P-C4'-P energy: -25.974
tors. eta vs tors. theta energy: -54.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -533.916742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.916742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.916742 (E_RNA)
where:
Base-Base interactions energy: -374.687
where: short stacking energy: -157.423
Base-Backbone interact. energy: -0.311
local terms energy: -158.918247
where:
bonds (distance) C4'-P energy: -26.165
bonds (distance) P-C4' energy: -33.405
flat angles C4'-P-C4' energy: -35.224
flat angles P-C4'-P energy: -21.751
tors. eta vs tors. theta energy: -42.374
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: 4, replica: 8
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -544.124447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.124447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.124447 (E_RNA)
where:
Base-Base interactions energy: -370.447
where: short stacking energy: -160.036
Base-Backbone interact. energy: -0.916
local terms energy: -172.761355
where:
bonds (distance) C4'-P energy: -35.105
bonds (distance) P-C4' energy: -29.979
flat angles C4'-P-C4' energy: -33.938
flat angles P-C4'-P energy: -27.076
tors. eta vs tors. theta energy: -46.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -477.433232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.433232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.433232 (E_RNA)
where:
Base-Base interactions energy: -324.581
where: short stacking energy: -155.999
Base-Backbone interact. energy: -1.267
local terms energy: -151.585444
where:
bonds (distance) C4'-P energy: -26.145
bonds (distance) P-C4' energy: -27.990
flat angles C4'-P-C4' energy: -30.519
flat angles P-C4'-P energy: -24.574
tors. eta vs tors. theta energy: -42.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -512.589580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.589580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.589580 (E_RNA)
where:
Base-Base interactions energy: -358.743
where: short stacking energy: -159.242
Base-Backbone interact. energy: 1.828
local terms energy: -155.675335
where:
bonds (distance) C4'-P energy: -30.343
bonds (distance) P-C4' energy: -25.768
flat angles C4'-P-C4' energy: -30.586
flat angles P-C4'-P energy: -25.979
tors. eta vs tors. theta energy: -43.000
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: 10
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -476.369270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.369270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.369270 (E_RNA)
where:
Base-Base interactions energy: -344.904
where: short stacking energy: -140.398
Base-Backbone interact. energy: -0.029
local terms energy: -131.436372
where:
bonds (distance) C4'-P energy: -21.355
bonds (distance) P-C4' energy: -24.038
flat angles C4'-P-C4' energy: -35.609
flat angles P-C4'-P energy: -23.708
tors. eta vs tors. theta energy: -26.726
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: 8, replica: 7
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -484.397680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.397680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.397680 (E_RNA)
where:
Base-Base interactions energy: -337.736
where: short stacking energy: -135.523
Base-Backbone interact. energy: -1.957
local terms energy: -144.704214
where:
bonds (distance) C4'-P energy: -26.502
bonds (distance) P-C4' energy: -28.357
flat angles C4'-P-C4' energy: -31.593
flat angles P-C4'-P energy: -21.572
tors. eta vs tors. theta energy: -36.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -415.225049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.225049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.225049 (E_RNA)
where:
Base-Base interactions energy: -285.709
where: short stacking energy: -132.916
Base-Backbone interact. energy: -0.303
local terms energy: -129.212390
where:
bonds (distance) C4'-P energy: -24.907
bonds (distance) P-C4' energy: -18.751
flat angles C4'-P-C4' energy: -29.631
flat angles P-C4'-P energy: -15.524
tors. eta vs tors. theta energy: -40.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -334.099145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.099145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.099145 (E_RNA)
where:
Base-Base interactions energy: -213.235
where: short stacking energy: -94.683
Base-Backbone interact. energy: -1.013
local terms energy: -119.851355
where:
bonds (distance) C4'-P energy: -32.569
bonds (distance) P-C4' energy: -28.492
flat angles C4'-P-C4' energy: -25.122
flat angles P-C4'-P energy: -18.873
tors. eta vs tors. theta energy: -14.795
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: 2
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -612.893306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.893306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.893306 (E_RNA)
where:
Base-Base interactions energy: -434.501
where: short stacking energy: -181.999
Base-Backbone interact. energy: -0.351
local terms energy: -178.041946
where:
bonds (distance) C4'-P energy: -27.129
bonds (distance) P-C4' energy: -34.491
flat angles C4'-P-C4' energy: -40.370
flat angles P-C4'-P energy: -27.660
tors. eta vs tors. theta energy: -48.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -595.157577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.157577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.157577 (E_RNA)
where:
Base-Base interactions energy: -417.280
where: short stacking energy: -185.092
Base-Backbone interact. energy: -0.740
local terms energy: -177.137777
where:
bonds (distance) C4'-P energy: -31.177
bonds (distance) P-C4' energy: -35.465
flat angles C4'-P-C4' energy: -33.019
flat angles P-C4'-P energy: -21.858
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: 3, replica: 8
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -558.692386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.692386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.692386 (E_RNA)
where:
Base-Base interactions energy: -390.586
where: short stacking energy: -169.832
Base-Backbone interact. energy: -0.690
local terms energy: -167.416262
where:
bonds (distance) C4'-P energy: -26.732
bonds (distance) P-C4' energy: -30.848
flat angles C4'-P-C4' energy: -35.681
flat angles P-C4'-P energy: -25.503
tors. eta vs tors. theta energy: -48.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -547.701336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.701336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.701336 (E_RNA)
where:
Base-Base interactions energy: -378.407
where: short stacking energy: -163.745
Base-Backbone interact. energy: -0.039
local terms energy: -169.254482
where:
bonds (distance) C4'-P energy: -31.802
bonds (distance) P-C4' energy: -31.643
flat angles C4'-P-C4' energy: -33.467
flat angles P-C4'-P energy: -25.093
tors. eta vs tors. theta energy: -47.250
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: 6
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -511.040615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.040615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.040615 (E_RNA)
where:
Base-Base interactions energy: -349.750
where: short stacking energy: -148.671
Base-Backbone interact. energy: -0.972
local terms energy: -160.319270
where:
bonds (distance) C4'-P energy: -31.602
bonds (distance) P-C4' energy: -32.689
flat angles C4'-P-C4' energy: -29.555
flat angles P-C4'-P energy: -27.782
tors. eta vs tors. theta energy: -38.691
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: 1
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -484.714003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.714003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.714003 (E_RNA)
where:
Base-Base interactions energy: -339.613
where: short stacking energy: -150.162
Base-Backbone interact. energy: -0.176
local terms energy: -144.924930
where:
bonds (distance) C4'-P energy: -26.178
bonds (distance) P-C4' energy: -28.056
flat angles C4'-P-C4' energy: -28.696
flat angles P-C4'-P energy: -18.748
tors. eta vs tors. theta energy: -43.248
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: 7
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -493.950096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.950096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.950096 (E_RNA)
where:
Base-Base interactions energy: -347.848
where: short stacking energy: -149.195
Base-Backbone interact. energy: -0.549
local terms energy: -145.552525
where:
bonds (distance) C4'-P energy: -26.388
bonds (distance) P-C4' energy: -29.840
flat angles C4'-P-C4' energy: -30.395
flat angles P-C4'-P energy: -21.325
tors. eta vs tors. theta energy: -37.605
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: 8, replica: 10
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -460.181868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.181868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.181868 (E_RNA)
where:
Base-Base interactions energy: -325.630
where: short stacking energy: -142.621
Base-Backbone interact. energy: 0.443
local terms energy: -134.994886
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -33.297
flat angles C4'-P-C4' energy: -32.349
flat angles P-C4'-P energy: -21.001
tors. eta vs tors. theta energy: -34.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -430.143142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.143142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.143142 (E_RNA)
where:
Base-Base interactions energy: -293.236
where: short stacking energy: -127.663
Base-Backbone interact. energy: -1.812
local terms energy: -135.094645
where:
bonds (distance) C4'-P energy: -26.793
bonds (distance) P-C4' energy: -34.066
flat angles C4'-P-C4' energy: -25.173
flat angles P-C4'-P energy: -17.988
tors. eta vs tors. theta energy: -31.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -354.244962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.244962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.244962 (E_RNA)
where:
Base-Base interactions energy: -227.105
where: short stacking energy: -95.789
Base-Backbone interact. energy: -0.413
local terms energy: -126.727336
where:
bonds (distance) C4'-P energy: -29.448
bonds (distance) P-C4' energy: -32.721
flat angles C4'-P-C4' energy: -23.392
flat angles P-C4'-P energy: -25.737
tors. eta vs tors. theta energy: -15.429
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: 2
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -608.163179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.163179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.163179 (E_RNA)
where:
Base-Base interactions energy: -432.016
where: short stacking energy: -181.415
Base-Backbone interact. energy: -0.264
local terms energy: -175.882971
where:
bonds (distance) C4'-P energy: -24.461
bonds (distance) P-C4' energy: -35.441
flat angles C4'-P-C4' energy: -40.699
flat angles P-C4'-P energy: -28.470
tors. eta vs tors. theta energy: -46.812
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: 5
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -598.982363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.982363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.982363 (E_RNA)
where:
Base-Base interactions energy: -420.819
where: short stacking energy: -184.820
Base-Backbone interact. energy: -0.468
local terms energy: -177.694820
where:
bonds (distance) C4'-P energy: -28.552
bonds (distance) P-C4' energy: -36.067
flat angles C4'-P-C4' energy: -34.126
flat angles P-C4'-P energy: -24.861
tors. eta vs tors. theta energy: -54.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -567.430306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.430306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.430306 (E_RNA)
where:
Base-Base interactions energy: -402.431
where: short stacking energy: -177.300
Base-Backbone interact. energy: -1.778
local terms energy: -163.221764
where:
bonds (distance) C4'-P energy: -26.309
bonds (distance) P-C4' energy: -30.229
flat angles C4'-P-C4' energy: -35.162
flat angles P-C4'-P energy: -22.847
tors. eta vs tors. theta energy: -48.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -569.442734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.442734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.442734 (E_RNA)
where:
Base-Base interactions energy: -397.605
where: short stacking energy: -160.685
Base-Backbone interact. energy: -0.725
local terms energy: -171.113129
where:
bonds (distance) C4'-P energy: -31.303
bonds (distance) P-C4' energy: -34.216
flat angles C4'-P-C4' energy: -36.096
flat angles P-C4'-P energy: -22.855
tors. eta vs tors. theta energy: -46.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -517.063727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.063727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.063727 (E_RNA)
where:
Base-Base interactions energy: -351.414
where: short stacking energy: -156.793
Base-Backbone interact. energy: -1.511
local terms energy: -164.139276
where:
bonds (distance) C4'-P energy: -28.606
bonds (distance) P-C4' energy: -30.110
flat angles C4'-P-C4' energy: -39.376
flat angles P-C4'-P energy: -27.700
tors. eta vs tors. theta energy: -38.347
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: 7
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -512.163236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.163236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.163236 (E_RNA)
where:
Base-Base interactions energy: -348.041
where: short stacking energy: -162.669
Base-Backbone interact. energy: -0.558
local terms energy: -163.564407
where:
bonds (distance) C4'-P energy: -27.119
bonds (distance) P-C4' energy: -33.321
flat angles C4'-P-C4' energy: -34.392
flat angles P-C4'-P energy: -23.365
tors. eta vs tors. theta energy: -45.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -473.294192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.294192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.294192 (E_RNA)
where:
Base-Base interactions energy: -319.288
where: short stacking energy: -155.591
Base-Backbone interact. energy: -0.757
local terms energy: -153.249795
where:
bonds (distance) C4'-P energy: -26.960
bonds (distance) P-C4' energy: -28.449
flat angles C4'-P-C4' energy: -37.471
flat angles P-C4'-P energy: -21.191
tors. eta vs tors. theta energy: -39.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -456.357666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.357666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.357666 (E_RNA)
where:
Base-Base interactions energy: -312.568
where: short stacking energy: -137.743
Base-Backbone interact. energy: -0.318
local terms energy: -143.471129
where:
bonds (distance) C4'-P energy: -22.357
bonds (distance) P-C4' energy: -26.588
flat angles C4'-P-C4' energy: -30.807
flat angles P-C4'-P energy: -26.018
tors. eta vs tors. theta energy: -37.701
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: 10
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -419.853400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.853400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.853400 (E_RNA)
where:
Base-Base interactions energy: -277.383
where: short stacking energy: -123.794
Base-Backbone interact. energy: 0.128
local terms energy: -142.598198
where:
bonds (distance) C4'-P energy: -26.818
bonds (distance) P-C4' energy: -29.134
flat angles C4'-P-C4' energy: -35.525
flat angles P-C4'-P energy: -21.127
tors. eta vs tors. theta energy: -29.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -325.064011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.064011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.064011 (E_RNA)
where:
Base-Base interactions energy: -219.186
where: short stacking energy: -94.884
Base-Backbone interact. energy: -0.929
local terms energy: -104.948837
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -24.024
flat angles C4'-P-C4' energy: -32.601
flat angles P-C4'-P energy: -14.484
tors. eta vs tors. theta energy: -18.957
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: 5
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -600.375549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.375549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.375549 (E_RNA)
where:
Base-Base interactions energy: -421.985
where: short stacking energy: -190.344
Base-Backbone interact. energy: -0.379
local terms energy: -178.012044
where:
bonds (distance) C4'-P energy: -28.420
bonds (distance) P-C4' energy: -35.816
flat angles C4'-P-C4' energy: -35.482
flat angles P-C4'-P energy: -26.377
tors. eta vs tors. theta energy: -51.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -601.716103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.716103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.716103 (E_RNA)
where:
Base-Base interactions energy: -433.944
where: short stacking energy: -172.538
Base-Backbone interact. energy: -0.202
local terms energy: -167.570210
where:
bonds (distance) C4'-P energy: -34.004
bonds (distance) P-C4' energy: -27.180
flat angles C4'-P-C4' energy: -35.509
flat angles P-C4'-P energy: -25.611
tors. eta vs tors. theta energy: -45.266
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: 9
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -576.829480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.829480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.829480 (E_RNA)
where:
Base-Base interactions energy: -402.108
where: short stacking energy: -163.542
Base-Backbone interact. energy: -0.390
local terms energy: -174.330907
where:
bonds (distance) C4'-P energy: -32.853
bonds (distance) P-C4' energy: -29.031
flat angles C4'-P-C4' energy: -34.009
flat angles P-C4'-P energy: -28.231
tors. eta vs tors. theta energy: -50.208
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: 4, replica: 8
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -555.535111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.535111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.535111 (E_RNA)
where:
Base-Base interactions energy: -390.595
where: short stacking energy: -165.683
Base-Backbone interact. energy: -1.626
local terms energy: -163.313272
where:
bonds (distance) C4'-P energy: -28.299
bonds (distance) P-C4' energy: -27.635
flat angles C4'-P-C4' energy: -34.428
flat angles P-C4'-P energy: -24.779
tors. eta vs tors. theta energy: -48.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -516.623818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.623818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.623818 (E_RNA)
where:
Base-Base interactions energy: -359.621
where: short stacking energy: -154.754
Base-Backbone interact. energy: -0.959
local terms energy: -156.043847
where:
bonds (distance) C4'-P energy: -28.501
bonds (distance) P-C4' energy: -27.964
flat angles C4'-P-C4' energy: -34.686
flat angles P-C4'-P energy: -19.183
tors. eta vs tors. theta energy: -45.710
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: 6
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -505.406981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.406981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.406981 (E_RNA)
where:
Base-Base interactions energy: -355.809
where: short stacking energy: -155.459
Base-Backbone interact. energy: -0.651
local terms energy: -148.946949
where:
bonds (distance) C4'-P energy: -29.949
bonds (distance) P-C4' energy: -27.808
flat angles C4'-P-C4' energy: -30.563
flat angles P-C4'-P energy: -15.696
tors. eta vs tors. theta energy: -44.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -469.054756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.054756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.054756 (E_RNA)
where:
Base-Base interactions energy: -316.782
where: short stacking energy: -144.390
Base-Backbone interact. energy: -0.450
local terms energy: -151.822059
where:
bonds (distance) C4'-P energy: -30.023
bonds (distance) P-C4' energy: -27.563
flat angles C4'-P-C4' energy: -32.558
flat angles P-C4'-P energy: -24.979
tors. eta vs tors. theta energy: -36.698
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: 8, replica: 1
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -444.974772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.974772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.974772 (E_RNA)
where:
Base-Base interactions energy: -314.137
where: short stacking energy: -135.533
Base-Backbone interact. energy: -1.573
local terms energy: -129.263942
where:
bonds (distance) C4'-P energy: -29.130
bonds (distance) P-C4' energy: -24.112
flat angles C4'-P-C4' energy: -26.778
flat angles P-C4'-P energy: -21.758
tors. eta vs tors. theta energy: -27.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -405.397570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.397570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.397570 (E_RNA)
where:
Base-Base interactions energy: -280.492
where: short stacking energy: -122.335
Base-Backbone interact. energy: -0.133
local terms energy: -124.772398
where:
bonds (distance) C4'-P energy: -25.121
bonds (distance) P-C4' energy: -29.839
flat angles C4'-P-C4' energy: -28.776
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -29.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -340.529979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.529979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.529979 (E_RNA)
where:
Base-Base interactions energy: -227.118
where: short stacking energy: -93.705
Base-Backbone interact. energy: 2.951
local terms energy: -116.362619
where:
bonds (distance) C4'-P energy: -32.419
bonds (distance) P-C4' energy: -25.350
flat angles C4'-P-C4' energy: -25.069
flat angles P-C4'-P energy: -16.527
tors. eta vs tors. theta energy: -16.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -597.187782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.187782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.187782 (E_RNA)
where:
Base-Base interactions energy: -424.073
where: short stacking energy: -185.448
Base-Backbone interact. energy: -0.178
local terms energy: -172.936761
where:
bonds (distance) C4'-P energy: -27.675
bonds (distance) P-C4' energy: -30.741
flat angles C4'-P-C4' energy: -33.069
flat angles P-C4'-P energy: -30.811
tors. eta vs tors. theta energy: -50.640
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: 2, replica: 2
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -613.860222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.860222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.860222 (E_RNA)
where:
Base-Base interactions energy: -443.949
where: short stacking energy: -172.427
Base-Backbone interact. energy: -0.126
local terms energy: -169.785307
where:
bonds (distance) C4'-P energy: -28.503
bonds (distance) P-C4' energy: -33.739
flat angles C4'-P-C4' energy: -33.906
flat angles P-C4'-P energy: -26.693
tors. eta vs tors. theta energy: -46.944
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: 9
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -570.162788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.162788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.162788 (E_RNA)
where:
Base-Base interactions energy: -397.010
where: short stacking energy: -166.672
Base-Backbone interact. energy: -1.383
local terms energy: -171.769583
where:
bonds (distance) C4'-P energy: -33.100
bonds (distance) P-C4' energy: -30.576
flat angles C4'-P-C4' energy: -37.578
flat angles P-C4'-P energy: -21.049
tors. eta vs tors. theta energy: -49.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -543.402998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.402998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.402998 (E_RNA)
where:
Base-Base interactions energy: -373.780
where: short stacking energy: -152.728
Base-Backbone interact. energy: -2.683
local terms energy: -166.940555
where:
bonds (distance) C4'-P energy: -28.529
bonds (distance) P-C4' energy: -26.260
flat angles C4'-P-C4' energy: -37.450
flat angles P-C4'-P energy: -25.107
tors. eta vs tors. theta energy: -49.594
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: 8
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -540.660857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.660857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.660857 (E_RNA)
where:
Base-Base interactions energy: -372.198
where: short stacking energy: -161.066
Base-Backbone interact. energy: -0.793
local terms energy: -167.669014
where:
bonds (distance) C4'-P energy: -34.969
bonds (distance) P-C4' energy: -23.870
flat angles C4'-P-C4' energy: -34.730
flat angles P-C4'-P energy: -27.772
tors. eta vs tors. theta energy: -46.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -508.875933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.875933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.875933 (E_RNA)
where:
Base-Base interactions energy: -356.611
where: short stacking energy: -160.679
Base-Backbone interact. energy: -1.087
local terms energy: -151.177551
where:
bonds (distance) C4'-P energy: -27.097
bonds (distance) P-C4' energy: -23.068
flat angles C4'-P-C4' energy: -33.647
flat angles P-C4'-P energy: -23.473
tors. eta vs tors. theta energy: -43.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -483.478716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.478716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.478716 (E_RNA)
where:
Base-Base interactions energy: -334.949
where: short stacking energy: -145.646
Base-Backbone interact. energy: -0.460
local terms energy: -148.070020
where:
bonds (distance) C4'-P energy: -29.954
bonds (distance) P-C4' energy: -26.896
flat angles C4'-P-C4' energy: -30.766
flat angles P-C4'-P energy: -20.115
tors. eta vs tors. theta energy: -40.339
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: 1
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -449.371861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.371861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.371861 (E_RNA)
where:
Base-Base interactions energy: -323.841
where: short stacking energy: -154.010
Base-Backbone interact. energy: 0.798
local terms energy: -126.329085
where:
bonds (distance) C4'-P energy: -22.811
bonds (distance) P-C4' energy: -22.988
flat angles C4'-P-C4' energy: -26.203
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -43.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -409.969485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.969485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.969485 (E_RNA)
where:
Base-Base interactions energy: -266.890
where: short stacking energy: -130.797
Base-Backbone interact. energy: -1.357
local terms energy: -141.722483
where:
bonds (distance) C4'-P energy: -25.453
bonds (distance) P-C4' energy: -27.129
flat angles C4'-P-C4' energy: -34.547
flat angles P-C4'-P energy: -21.884
tors. eta vs tors. theta energy: -32.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -368.471044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.471044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.471044 (E_RNA)
where:
Base-Base interactions energy: -250.146
where: short stacking energy: -106.238
Base-Backbone interact. energy: -1.153
local terms energy: -117.172161
where:
bonds (distance) C4'-P energy: -25.999
bonds (distance) P-C4' energy: -21.193
flat angles C4'-P-C4' energy: -25.703
flat angles P-C4'-P energy: -19.404
tors. eta vs tors. theta energy: -24.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -611.064242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.064242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.064242 (E_RNA)
where:
Base-Base interactions energy: -431.138
where: short stacking energy: -171.465
Base-Backbone interact. energy: -0.545
local terms energy: -179.381021
where:
bonds (distance) C4'-P energy: -37.020
bonds (distance) P-C4' energy: -35.503
flat angles C4'-P-C4' energy: -37.987
flat angles P-C4'-P energy: -22.682
tors. eta vs tors. theta energy: -46.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -582.708639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.708639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.708639 (E_RNA)
where:
Base-Base interactions energy: -408.470
where: short stacking energy: -180.069
Base-Backbone interact. energy: -0.137
local terms energy: -174.102186
where:
bonds (distance) C4'-P energy: -31.364
bonds (distance) P-C4' energy: -31.131
flat angles C4'-P-C4' energy: -34.388
flat angles P-C4'-P energy: -26.257
tors. eta vs tors. theta energy: -50.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -558.143263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.143263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.143263 (E_RNA)
where:
Base-Base interactions energy: -388.312
where: short stacking energy: -175.523
Base-Backbone interact. energy: -0.221
local terms energy: -169.610837
where:
bonds (distance) C4'-P energy: -33.765
bonds (distance) P-C4' energy: -32.669
flat angles C4'-P-C4' energy: -29.006
flat angles P-C4'-P energy: -22.529
tors. eta vs tors. theta energy: -51.642
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: 9
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -562.038329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.038329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.038329 (E_RNA)
where:
Base-Base interactions energy: -389.983
where: short stacking energy: -172.489
Base-Backbone interact. energy: -0.631
local terms energy: -171.424472
where:
bonds (distance) C4'-P energy: -36.719
bonds (distance) P-C4' energy: -37.025
flat angles C4'-P-C4' energy: -30.923
flat angles P-C4'-P energy: -18.604
tors. eta vs tors. theta energy: -48.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -538.347254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.347254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.347254 (E_RNA)
where:
Base-Base interactions energy: -375.566
where: short stacking energy: -161.623
Base-Backbone interact. energy: 1.846
local terms energy: -164.627510
where:
bonds (distance) C4'-P energy: -30.082
bonds (distance) P-C4' energy: -31.141
flat angles C4'-P-C4' energy: -32.236
flat angles P-C4'-P energy: -24.520
tors. eta vs tors. theta energy: -46.647
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: 6, replica: 6
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -499.206411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.206411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.206411 (E_RNA)
where:
Base-Base interactions energy: -344.491
where: short stacking energy: -152.734
Base-Backbone interact. energy: -0.085
local terms energy: -154.630377
where:
bonds (distance) C4'-P energy: -34.441
bonds (distance) P-C4' energy: -27.640
flat angles C4'-P-C4' energy: -30.132
flat angles P-C4'-P energy: -19.352
tors. eta vs tors. theta energy: -43.066
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: 7, replica: 1
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -456.289647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.289647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.289647 (E_RNA)
where:
Base-Base interactions energy: -311.147
where: short stacking energy: -135.310
Base-Backbone interact. energy: 1.096
local terms energy: -146.238329
where:
bonds (distance) C4'-P energy: -27.973
bonds (distance) P-C4' energy: -27.010
flat angles C4'-P-C4' energy: -35.855
flat angles P-C4'-P energy: -18.839
tors. eta vs tors. theta energy: -36.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -442.521380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.521380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.521380 (E_RNA)
where:
Base-Base interactions energy: -304.493
where: short stacking energy: -134.055
Base-Backbone interact. energy: -0.193
local terms energy: -137.835913
where:
bonds (distance) C4'-P energy: -28.531
bonds (distance) P-C4' energy: -23.192
flat angles C4'-P-C4' energy: -34.461
flat angles P-C4'-P energy: -16.084
tors. eta vs tors. theta energy: -35.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -416.331360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.331360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.331360 (E_RNA)
where:
Base-Base interactions energy: -289.138
where: short stacking energy: -117.909
Base-Backbone interact. energy: 0.025
local terms energy: -127.218509
where:
bonds (distance) C4'-P energy: -35.218
bonds (distance) P-C4' energy: -26.295
flat angles C4'-P-C4' energy: -22.550
flat angles P-C4'-P energy: -16.787
tors. eta vs tors. theta energy: -26.369
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: 10
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -395.712074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.712074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.712074 (E_RNA)
where:
Base-Base interactions energy: -265.506
where: short stacking energy: -131.745
Base-Backbone interact. energy: -0.242
local terms energy: -129.963962
where:
bonds (distance) C4'-P energy: -18.412
bonds (distance) P-C4' energy: -33.213
flat angles C4'-P-C4' energy: -26.563
flat angles P-C4'-P energy: -19.610
tors. eta vs tors. theta energy: -32.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -602.296291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.296291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.296291 (E_RNA)
where:
Base-Base interactions energy: -423.168
where: short stacking energy: -170.570
Base-Backbone interact. energy: -0.980
local terms energy: -178.148555
where:
bonds (distance) C4'-P energy: -32.569
bonds (distance) P-C4' energy: -35.925
flat angles C4'-P-C4' energy: -37.782
flat angles P-C4'-P energy: -26.701
tors. eta vs tors. theta energy: -45.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -584.457044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.457044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.457044 (E_RNA)
where:
Base-Base interactions energy: -411.559
where: short stacking energy: -186.401
Base-Backbone interact. energy: -0.038
local terms energy: -172.860284
where:
bonds (distance) C4'-P energy: -32.991
bonds (distance) P-C4' energy: -25.942
flat angles C4'-P-C4' energy: -36.592
flat angles P-C4'-P energy: -26.790
tors. eta vs tors. theta energy: -50.546
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: 7
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -547.341336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.341336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.341336 (E_RNA)
where:
Base-Base interactions energy: -390.377
where: short stacking energy: -160.835
Base-Backbone interact. energy: -0.216
local terms energy: -156.748601
where:
bonds (distance) C4'-P energy: -27.569
bonds (distance) P-C4' energy: -37.438
flat angles C4'-P-C4' energy: -28.513
flat angles P-C4'-P energy: -20.012
tors. eta vs tors. theta energy: -43.216
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: 8
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -548.722044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.722044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.722044 (E_RNA)
where:
Base-Base interactions energy: -387.858
where: short stacking energy: -162.661
Base-Backbone interact. energy: -0.885
local terms energy: -159.979460
where:
bonds (distance) C4'-P energy: -27.378
bonds (distance) P-C4' energy: -27.832
flat angles C4'-P-C4' energy: -34.421
flat angles P-C4'-P energy: -25.098
tors. eta vs tors. theta energy: -45.250
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: 9
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -541.290298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.290298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.290298 (E_RNA)
where:
Base-Base interactions energy: -370.432
where: short stacking energy: -160.353
Base-Backbone interact. energy: -1.238
local terms energy: -169.620307
where:
bonds (distance) C4'-P energy: -29.299
bonds (distance) P-C4' energy: -33.088
flat angles C4'-P-C4' energy: -36.884
flat angles P-C4'-P energy: -22.692
tors. eta vs tors. theta energy: -47.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -513.076452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.076452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.076452 (E_RNA)
where:
Base-Base interactions energy: -355.366
where: short stacking energy: -155.054
Base-Backbone interact. energy: -0.256
local terms energy: -157.454042
where:
bonds (distance) C4'-P energy: -23.754
bonds (distance) P-C4' energy: -35.147
flat angles C4'-P-C4' energy: -35.427
flat angles P-C4'-P energy: -19.333
tors. eta vs tors. theta energy: -43.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -452.656579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.656579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.656579 (E_RNA)
where:
Base-Base interactions energy: -320.821
where: short stacking energy: -143.965
Base-Backbone interact. energy: -1.745
local terms energy: -130.091126
where:
bonds (distance) C4'-P energy: -20.008
bonds (distance) P-C4' energy: -31.328
flat angles C4'-P-C4' energy: -28.777
flat angles P-C4'-P energy: -14.135
tors. eta vs tors. theta energy: -35.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -445.000532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.000532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.000532 (E_RNA)
where:
Base-Base interactions energy: -312.274
where: short stacking energy: -142.163
Base-Backbone interact. energy: -1.056
local terms energy: -131.670908
where:
bonds (distance) C4'-P energy: -25.004
bonds (distance) P-C4' energy: -27.294
flat angles C4'-P-C4' energy: -27.942
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -40.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -382.683424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.683424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.683424 (E_RNA)
where:
Base-Base interactions energy: -265.784
where: short stacking energy: -126.336
Base-Backbone interact. energy: -0.423
local terms energy: -116.476574
where:
bonds (distance) C4'-P energy: -23.828
bonds (distance) P-C4' energy: -20.199
flat angles C4'-P-C4' energy: -29.959
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -29.965
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: 499
Temperature: 1.350000
Total energy: -406.284817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.284817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.284817 (E_RNA)
where:
Base-Base interactions energy: -277.062
where: short stacking energy: -128.890
Base-Backbone interact. energy: 1.448
local terms energy: -130.670275
where:
bonds (distance) C4'-P energy: -23.665
bonds (distance) P-C4' energy: -30.208
flat angles C4'-P-C4' energy: -29.353
flat angles P-C4'-P energy: -14.341
tors. eta vs tors. theta energy: -33.102
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)
out arg RESULTS//1/biophysics-e6483dbc_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 2
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -614.527119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.527119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.527119 (E_RNA)
where:
Base-Base interactions energy: -440.597
where: short stacking energy: -173.640
Base-Backbone interact. energy: 1.558
local terms energy: -175.488374
where:
bonds (distance) C4'-P energy: -30.910
bonds (distance) P-C4' energy: -35.015
flat angles C4'-P-C4' energy: -38.101
flat angles P-C4'-P energy: -23.013
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: 2, replica: 5
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -581.803551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.803551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.803551 (E_RNA)
where:
Base-Base interactions energy: -405.157
where: short stacking energy: -174.918
Base-Backbone interact. energy: -2.084
local terms energy: -174.562625
where:
bonds (distance) C4'-P energy: -32.063
bonds (distance) P-C4' energy: -33.042
flat angles C4'-P-C4' energy: -37.112
flat angles P-C4'-P energy: -20.191
tors. eta vs tors. theta energy: -52.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -555.606667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.606667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.606667 (E_RNA)
where:
Base-Base interactions energy: -384.514
where: short stacking energy: -166.249
Base-Backbone interact. energy: -1.040
local terms energy: -170.052575
where:
bonds (distance) C4'-P energy: -33.149
bonds (distance) P-C4' energy: -36.468
flat angles C4'-P-C4' energy: -32.447
flat angles P-C4'-P energy: -19.688
tors. eta vs tors. theta energy: -48.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -541.661756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.661756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.661756 (E_RNA)
where:
Base-Base interactions energy: -384.407
where: short stacking energy: -164.113
Base-Backbone interact. energy: -0.549
local terms energy: -156.706132
where:
bonds (distance) C4'-P energy: -30.565
bonds (distance) P-C4' energy: -26.306
flat angles C4'-P-C4' energy: -35.376
flat angles P-C4'-P energy: -16.852
tors. eta vs tors. theta energy: -47.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -515.964199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.964199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.964199 (E_RNA)
where:
Base-Base interactions energy: -359.940
where: short stacking energy: -156.559
Base-Backbone interact. energy: -0.101
local terms energy: -155.922441
where:
bonds (distance) C4'-P energy: -23.223
bonds (distance) P-C4' energy: -31.464
flat angles C4'-P-C4' energy: -36.841
flat angles P-C4'-P energy: -23.845
tors. eta vs tors. theta energy: -40.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -516.189997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.189997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.189997 (E_RNA)
where:
Base-Base interactions energy: -364.600
where: short stacking energy: -157.581
Base-Backbone interact. energy: 2.063
local terms energy: -153.653579
where:
bonds (distance) C4'-P energy: -29.366
bonds (distance) P-C4' energy: -32.590
flat angles C4'-P-C4' energy: -30.832
flat angles P-C4'-P energy: -19.903
tors. eta vs tors. theta energy: -40.962
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: 4
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -426.796552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.796552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.796552 (E_RNA)
where:
Base-Base interactions energy: -298.841
where: short stacking energy: -127.800
Base-Backbone interact. energy: -0.306
local terms energy: -127.649177
where:
bonds (distance) C4'-P energy: -22.336
bonds (distance) P-C4' energy: -20.236
flat angles C4'-P-C4' energy: -30.231
flat angles P-C4'-P energy: -23.965
tors. eta vs tors. theta energy: -30.881
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: 1
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -449.741343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.741343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.741343 (E_RNA)
where:
Base-Base interactions energy: -292.026
where: short stacking energy: -125.951
Base-Backbone interact. energy: -1.846
local terms energy: -155.869630
where:
bonds (distance) C4'-P energy: -29.986
bonds (distance) P-C4' energy: -37.084
flat angles C4'-P-C4' energy: -34.534
flat angles P-C4'-P energy: -19.896
tors. eta vs tors. theta energy: -34.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -393.056192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.056192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.056192 (E_RNA)
where:
Base-Base interactions energy: -265.502
where: short stacking energy: -125.848
Base-Backbone interact. energy: -0.735
local terms energy: -126.819988
where:
bonds (distance) C4'-P energy: -30.193
bonds (distance) P-C4' energy: -25.462
flat angles C4'-P-C4' energy: -25.262
flat angles P-C4'-P energy: -22.657
tors. eta vs tors. theta energy: -23.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -372.406827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.406827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.406827 (E_RNA)
where:
Base-Base interactions energy: -244.658
where: short stacking energy: -110.996
Base-Backbone interact. energy: -0.568
local terms energy: -127.180811
where:
bonds (distance) C4'-P energy: -27.434
bonds (distance) P-C4' energy: -29.049
flat angles C4'-P-C4' energy: -28.930
flat angles P-C4'-P energy: -19.845
tors. eta vs tors. theta energy: -21.923
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)
DONE
DONE
DONE
DONE
DONE
DONE