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/silverloc-58ac6a7b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/silverloc-58ac6a7b/inputs/seq.fa: 1
curr_seq: _GGCUUCAACAACCCCGUAGGUUGGGCCGAAAGGCAGCGAAUCUACUGGAGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCUUCAACAACCCCGUAGGUUGGGCCGAAAGGCAGCGAAUCUACUGGAGCC
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 52 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: 265
n_atoms_counter: 265
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 52.000000 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/silverloc-58ac6a7b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/silverloc-58ac6a7b/inputs/seq.fa: 1
curr_seq: _GGCUUCAACAACCCCGUAGGUUGGGCCGAAAGGCAGCGAAUCUACUGGAGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCUUCAACAACCCCGUAGGUUGGGCCGAAAGGCAGCGAAUCUACUGGAGCC
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 52 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: 265
n_atoms_counter: 265
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 52.000000 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/silverloc-58ac6a7b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/silverloc-58ac6a7b/inputs/seq.fa: 1
curr_seq: _GGCUUCAACAACCCCGUAGGUUGGGCCGAAAGGCAGCGAAUCUACUGGAGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCUUCAACAACCCCGUAGGUUGGGCCGAAAGGCAGCGAAUCUACUGGAGCC
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 52 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: 265
n_atoms_counter: 265
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 52.000000 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/silverloc-58ac6a7b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/silverloc-58ac6a7b/inputs/seq.fa: 1
curr_seq: _GGCUUCAACAACCCCGUAGGUUGGGCCGAAAGGCAGCGAAUCUACUGGAGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCUUCAACAACCCCGUAGGUUGGGCCGAAAGGCAGCGAAUCUACUGGAGCC
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 52 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: 265
n_atoms_counter: 265
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 52.000000 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/silverloc-58ac6a7b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/silverloc-58ac6a7b/inputs/seq.fa: 1
curr_seq: _GGCUUCAACAACCCCGUAGGUUGGGCCGAAAGGCAGCGAAUCUACUGGAGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCUUCAACAACCCCGUAGGUUGGGCCGAAAGGCAGCGAAUCUACUGGAGCC
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 52 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: 265
n_atoms_counter: 265
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 52.000000 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/silverloc-58ac6a7b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/silverloc-58ac6a7b/inputs/seq.fa: 1
curr_seq: _GGCUUCAACAACCCCGUAGGUUGGGCCGAAAGGCAGCGAAUCUACUGGAGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCUUCAACAACCCCGUAGGUUGGGCCGAAAGGCAGCGAAUCUACUGGAGCC
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 52 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: 265
n_atoms_counter: 265
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 52.000000 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/silverloc-58ac6a7b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/silverloc-58ac6a7b/inputs/seq.fa: 1
curr_seq: _GGCUUCAACAACCCCGUAGGUUGGGCCGAAAGGCAGCGAAUCUACUGGAGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCUUCAACAACCCCGUAGGUUGGGCCGAAAGGCAGCGAAUCUACUGGAGCC
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 52 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: 265
n_atoms_counter: 265
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 52.000000 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/silverloc-58ac6a7b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/silverloc-58ac6a7b/inputs/seq.fa: 1
curr_seq: _GGCUUCAACAACCCCGUAGGUUGGGCCGAAAGGCAGCGAAUCUACUGGAGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCUUCAACAACCCCGUAGGUUGGGCCGAAAGGCAGCGAAUCUACUGGAGCC
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 52 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: 265
n_atoms_counter: 265
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 52.000000 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/silverloc-58ac6a7b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/silverloc-58ac6a7b/inputs/seq.fa: 1
curr_seq: _GGCUUCAACAACCCCGUAGGUUGGGCCGAAAGGCAGCGAAUCUACUGGAGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCUUCAACAACCCCGUAGGUUGGGCCGAAAGGCAGCGAAUCUACUGGAGCC
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 52 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: 265
n_atoms_counter: 265
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 52.000000 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/silverloc-58ac6a7b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/silverloc-58ac6a7b/inputs/seq.fa: 1
curr_seq: _GGCUUCAACAACCCCGUAGGUUGGGCCGAAAGGCAGCGAAUCUACUGGAGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCUUCAACAACCCCGUAGGUUGGGCCGAAAGGCAGCGAAUCUACUGGAGCC
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 52 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: 265
n_atoms_counter: 265
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 52.000000 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: -212.367593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.367593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.367593 (E_RNA)
where:
Base-Base interactions energy: -9.642
where: short stacking energy: -9.642
Base-Backbone interact. energy: -0.000
local terms energy: -202.725714
where:
bonds (distance) C4'-P energy: -50.522
bonds (distance) P-C4' energy: -47.417
flat angles C4'-P-C4' energy: -38.180
flat angles P-C4'-P energy: -43.673
tors. eta vs tors. theta energy: -22.934
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: 1
Temperature: 0.950000
Total energy: -212.367593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.367593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.367593 (E_RNA)
where:
Base-Base interactions energy: -9.642
where: short stacking energy: -9.642
Base-Backbone interact. energy: -0.000
local terms energy: -202.725714
where:
bonds (distance) C4'-P energy: -50.522
bonds (distance) P-C4' energy: -47.417
flat angles C4'-P-C4' energy: -38.180
flat angles P-C4'-P energy: -43.673
tors. eta vs tors. theta energy: -22.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -212.367593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.367593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.367593 (E_RNA)
where:
Base-Base interactions energy: -9.642
where: short stacking energy: -9.642
Base-Backbone interact. energy: -0.000
local terms energy: -202.725714
where:
bonds (distance) C4'-P energy: -50.522
bonds (distance) P-C4' energy: -47.417
flat angles C4'-P-C4' energy: -38.180
flat angles P-C4'-P energy: -43.673
tors. eta vs tors. theta energy: -22.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -212.367593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.367593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.367593 (E_RNA)
where:
Base-Base interactions energy: -9.642
where: short stacking energy: -9.642
Base-Backbone interact. energy: -0.000
local terms energy: -202.725714
where:
bonds (distance) C4'-P energy: -50.522
bonds (distance) P-C4' energy: -47.417
flat angles C4'-P-C4' energy: -38.180
flat angles P-C4'-P energy: -43.673
tors. eta vs tors. theta energy: -22.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -212.367593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.367593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.367593 (E_RNA)
where:
Base-Base interactions energy: -9.642
where: short stacking energy: -9.642
Base-Backbone interact. energy: -0.000
local terms energy: -202.725714
where:
bonds (distance) C4'-P energy: -50.522
bonds (distance) P-C4' energy: -47.417
flat angles C4'-P-C4' energy: -38.180
flat angles P-C4'-P energy: -43.673
tors. eta vs tors. theta energy: -22.934
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: 1
Temperature: 1.150000
Total energy: -212.367593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.367593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.367593 (E_RNA)
where:
Base-Base interactions energy: -9.642
where: short stacking energy: -9.642
Base-Backbone interact. energy: -0.000
local terms energy: -202.725714
where:
bonds (distance) C4'-P energy: -50.522
bonds (distance) P-C4' energy: -47.417
flat angles C4'-P-C4' energy: -38.180
flat angles P-C4'-P energy: -43.673
tors. eta vs tors. theta energy: -22.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -212.367593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.367593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.367593 (E_RNA)
where:
Base-Base interactions energy: -9.642
where: short stacking energy: -9.642
Base-Backbone interact. energy: -0.000
local terms energy: -202.725714
where:
bonds (distance) C4'-P energy: -50.522
bonds (distance) P-C4' energy: -47.417
flat angles C4'-P-C4' energy: -38.180
flat angles P-C4'-P energy: -43.673
tors. eta vs tors. theta energy: -22.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -212.367593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.367593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.367593 (E_RNA)
where:
Base-Base interactions energy: -9.642
where: short stacking energy: -9.642
Base-Backbone interact. energy: -0.000
local terms energy: -202.725714
where:
bonds (distance) C4'-P energy: -50.522
bonds (distance) P-C4' energy: -47.417
flat angles C4'-P-C4' energy: -38.180
flat angles P-C4'-P energy: -43.673
tors. eta vs tors. theta energy: -22.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -212.367593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.367593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.367593 (E_RNA)
where:
Base-Base interactions energy: -9.642
where: short stacking energy: -9.642
Base-Backbone interact. energy: -0.000
local terms energy: -202.725714
where:
bonds (distance) C4'-P energy: -50.522
bonds (distance) P-C4' energy: -47.417
flat angles C4'-P-C4' energy: -38.180
flat angles P-C4'-P energy: -43.673
tors. eta vs tors. theta energy: -22.934
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: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -212.367593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.367593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.367593 (E_RNA)
where:
Base-Base interactions energy: -9.642
where: short stacking energy: -9.642
Base-Backbone interact. energy: -0.000
local terms energy: -202.725714
where:
bonds (distance) C4'-P energy: -50.522
bonds (distance) P-C4' energy: -47.417
flat angles C4'-P-C4' energy: -38.180
flat angles P-C4'-P energy: -43.673
tors. eta vs tors. theta energy: -22.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -346.989815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.989815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.989815 (E_RNA)
where:
Base-Base interactions energy: -164.844
where: short stacking energy: -146.186
Base-Backbone interact. energy: -0.099
local terms energy: -182.047000
where:
bonds (distance) C4'-P energy: -38.094
bonds (distance) P-C4' energy: -40.302
flat angles C4'-P-C4' energy: -36.020
flat angles P-C4'-P energy: -25.694
tors. eta vs tors. theta energy: -41.937
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: 2
Temperature: 0.950000
Total energy: -288.742684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.742684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.742684 (E_RNA)
where:
Base-Base interactions energy: -130.320
where: short stacking energy: -124.221
Base-Backbone interact. energy: -0.076
local terms energy: -158.346504
where:
bonds (distance) C4'-P energy: -31.493
bonds (distance) P-C4' energy: -32.998
flat angles C4'-P-C4' energy: -39.595
flat angles P-C4'-P energy: -23.414
tors. eta vs tors. theta energy: -30.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -271.786876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.786876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.786876 (E_RNA)
where:
Base-Base interactions energy: -128.459
where: short stacking energy: -100.787
Base-Backbone interact. energy: -0.135
local terms energy: -143.192882
where:
bonds (distance) C4'-P energy: -33.290
bonds (distance) P-C4' energy: -32.036
flat angles C4'-P-C4' energy: -37.460
flat angles P-C4'-P energy: -22.721
tors. eta vs tors. theta energy: -17.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -278.461821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.461821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.461821 (E_RNA)
where:
Base-Base interactions energy: -122.830
where: short stacking energy: -102.348
Base-Backbone interact. energy: -0.297
local terms energy: -155.334707
where:
bonds (distance) C4'-P energy: -37.599
bonds (distance) P-C4' energy: -38.654
flat angles C4'-P-C4' energy: -31.959
flat angles P-C4'-P energy: -21.712
tors. eta vs tors. theta energy: -25.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -235.025793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.025793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.025793 (E_RNA)
where:
Base-Base interactions energy: -98.990
where: short stacking energy: -95.266
Base-Backbone interact. energy: -0.140
local terms energy: -135.895333
where:
bonds (distance) C4'-P energy: -27.826
bonds (distance) P-C4' energy: -33.832
flat angles C4'-P-C4' energy: -34.540
flat angles P-C4'-P energy: -19.554
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: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -239.138846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.138846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.138846 (E_RNA)
where:
Base-Base interactions energy: -104.894
where: short stacking energy: -95.016
Base-Backbone interact. energy: -0.315
local terms energy: -133.929380
where:
bonds (distance) C4'-P energy: -34.916
bonds (distance) P-C4' energy: -29.734
flat angles C4'-P-C4' energy: -27.231
flat angles P-C4'-P energy: -17.753
tors. eta vs tors. theta energy: -24.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -211.438053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.438053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.438053 (E_RNA)
where:
Base-Base interactions energy: -9.587
where: short stacking energy: -9.587
Base-Backbone interact. energy: -0.000
local terms energy: -201.851090
where:
bonds (distance) C4'-P energy: -50.406
bonds (distance) P-C4' energy: -47.410
flat angles C4'-P-C4' energy: -37.595
flat angles P-C4'-P energy: -43.599
tors. eta vs tors. theta energy: -22.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -211.475095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.475095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.475095 (E_RNA)
where:
Base-Base interactions energy: -9.587
where: short stacking energy: -9.587
Base-Backbone interact. energy: -0.000
local terms energy: -201.888332
where:
bonds (distance) C4'-P energy: -50.406
bonds (distance) P-C4' energy: -47.410
flat angles C4'-P-C4' energy: -37.595
flat angles P-C4'-P energy: -43.636
tors. eta vs tors. theta energy: -22.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -211.474890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.474890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.474890 (E_RNA)
where:
Base-Base interactions energy: -9.587
where: short stacking energy: -9.587
Base-Backbone interact. energy: -0.000
local terms energy: -201.888332
where:
bonds (distance) C4'-P energy: -50.406
bonds (distance) P-C4' energy: -47.410
flat angles C4'-P-C4' energy: -37.595
flat angles P-C4'-P energy: -43.636
tors. eta vs tors. theta energy: -22.841
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: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -211.474681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.474681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.474681 (E_RNA)
where:
Base-Base interactions energy: -9.586
where: short stacking energy: -9.586
Base-Backbone interact. energy: -0.000
local terms energy: -201.888332
where:
bonds (distance) C4'-P energy: -50.406
bonds (distance) P-C4' energy: -47.410
flat angles C4'-P-C4' energy: -37.595
flat angles P-C4'-P energy: -43.636
tors. eta vs tors. theta energy: -22.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -361.828973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.828973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.828973 (E_RNA)
where:
Base-Base interactions energy: -185.284
where: short stacking energy: -147.406
Base-Backbone interact. energy: -0.167
local terms energy: -176.377990
where:
bonds (distance) C4'-P energy: -36.111
bonds (distance) P-C4' energy: -38.251
flat angles C4'-P-C4' energy: -33.664
flat angles P-C4'-P energy: -23.277
tors. eta vs tors. theta energy: -45.075
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: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -441.487463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.487463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.487463 (E_RNA)
where:
Base-Base interactions energy: -287.098
where: short stacking energy: -133.880
Base-Backbone interact. energy: -0.647
local terms energy: -153.742344
where:
bonds (distance) C4'-P energy: -23.613
bonds (distance) P-C4' energy: -34.788
flat angles C4'-P-C4' energy: -36.606
flat angles P-C4'-P energy: -23.127
tors. eta vs tors. theta energy: -35.609
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: 3
Temperature: 1.000000
Total energy: -276.977788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.977788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.977788 (E_RNA)
where:
Base-Base interactions energy: -126.542
where: short stacking energy: -101.130
Base-Backbone interact. energy: -1.592
local terms energy: -148.843860
where:
bonds (distance) C4'-P energy: -35.052
bonds (distance) P-C4' energy: -36.679
flat angles C4'-P-C4' energy: -36.710
flat angles P-C4'-P energy: -24.620
tors. eta vs tors. theta energy: -15.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -354.191091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.191091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.191091 (E_RNA)
where:
Base-Base interactions energy: -227.078
where: short stacking energy: -107.840
Base-Backbone interact. energy: -0.388
local terms energy: -126.724577
where:
bonds (distance) C4'-P energy: -23.192
bonds (distance) P-C4' energy: -33.675
flat angles C4'-P-C4' energy: -25.415
flat angles P-C4'-P energy: -19.850
tors. eta vs tors. theta energy: -24.593
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: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -241.829871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.829871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.829871 (E_RNA)
where:
Base-Base interactions energy: -115.960
where: short stacking energy: -108.565
Base-Backbone interact. energy: -0.277
local terms energy: -125.592837
where:
bonds (distance) C4'-P energy: -30.285
bonds (distance) P-C4' energy: -25.850
flat angles C4'-P-C4' energy: -35.762
flat angles P-C4'-P energy: -15.555
tors. eta vs tors. theta energy: -18.142
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: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -238.568387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.568387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.568387 (E_RNA)
where:
Base-Base interactions energy: -132.192
where: short stacking energy: -85.648
Base-Backbone interact. energy: -1.253
local terms energy: -105.123541
where:
bonds (distance) C4'-P energy: -24.897
bonds (distance) P-C4' energy: -34.447
flat angles C4'-P-C4' energy: -22.455
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -10.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -202.961256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.961256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.961256 (E_RNA)
where:
Base-Base interactions energy: -82.233
where: short stacking energy: -78.306
Base-Backbone interact. energy: 0.108
local terms energy: -120.835808
where:
bonds (distance) C4'-P energy: -26.294
bonds (distance) P-C4' energy: -32.829
flat angles C4'-P-C4' energy: -30.927
flat angles P-C4'-P energy: -17.765
tors. eta vs tors. theta energy: -13.020
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: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -230.490737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.490737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.490737 (E_RNA)
where:
Base-Base interactions energy: -107.002
where: short stacking energy: -75.992
Base-Backbone interact. energy: 1.219
local terms energy: -124.707347
where:
bonds (distance) C4'-P energy: -26.416
bonds (distance) P-C4' energy: -33.777
flat angles C4'-P-C4' energy: -34.033
flat angles P-C4'-P energy: -19.626
tors. eta vs tors. theta energy: -10.856
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: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -192.880036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.880036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.880036 (E_RNA)
where:
Base-Base interactions energy: -86.914
where: short stacking energy: -83.438
Base-Backbone interact. energy: -0.369
local terms energy: -105.597067
where:
bonds (distance) C4'-P energy: -21.786
bonds (distance) P-C4' energy: -26.644
flat angles C4'-P-C4' energy: -24.150
flat angles P-C4'-P energy: -21.200
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: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -156.302979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.302979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.302979 (E_RNA)
where:
Base-Base interactions energy: -67.587
where: short stacking energy: -56.978
Base-Backbone interact. energy: -0.385
local terms energy: -88.331480
where:
bonds (distance) C4'-P energy: -24.696
bonds (distance) P-C4' energy: -35.519
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -14.491
tors. eta vs tors. theta energy: 1.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -496.468275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.468275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.468275 (E_RNA)
where:
Base-Base interactions energy: -336.843
where: short stacking energy: -143.161
Base-Backbone interact. energy: -1.582
local terms energy: -158.043588
where:
bonds (distance) C4'-P energy: -32.770
bonds (distance) P-C4' energy: -29.515
flat angles C4'-P-C4' energy: -37.443
flat angles P-C4'-P energy: -26.764
tors. eta vs tors. theta energy: -31.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -334.255719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.255719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.255719 (E_RNA)
where:
Base-Base interactions energy: -167.383
where: short stacking energy: -118.179
Base-Backbone interact. energy: 0.343
local terms energy: -167.216163
where:
bonds (distance) C4'-P energy: -33.575
bonds (distance) P-C4' energy: -37.047
flat angles C4'-P-C4' energy: -37.016
flat angles P-C4'-P energy: -25.967
tors. eta vs tors. theta energy: -33.611
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: 3, replica: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -421.785903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.785903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.785903 (E_RNA)
where:
Base-Base interactions energy: -269.252
where: short stacking energy: -122.021
Base-Backbone interact. energy: -0.048
local terms energy: -152.485104
where:
bonds (distance) C4'-P energy: -29.385
bonds (distance) P-C4' energy: -32.822
flat angles C4'-P-C4' energy: -38.454
flat angles P-C4'-P energy: -18.165
tors. eta vs tors. theta energy: -33.658
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: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -300.735658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.735658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.735658 (E_RNA)
where:
Base-Base interactions energy: -170.139
where: short stacking energy: -101.419
Base-Backbone interact. energy: -0.978
local terms energy: -129.618220
where:
bonds (distance) C4'-P energy: -25.992
bonds (distance) P-C4' energy: -31.286
flat angles C4'-P-C4' energy: -34.731
flat angles P-C4'-P energy: -15.915
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: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -255.104529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.104529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.104529 (E_RNA)
where:
Base-Base interactions energy: -127.609
where: short stacking energy: -84.007
Base-Backbone interact. energy: -0.450
local terms energy: -127.046013
where:
bonds (distance) C4'-P energy: -24.864
bonds (distance) P-C4' energy: -35.158
flat angles C4'-P-C4' energy: -34.276
flat angles P-C4'-P energy: -22.142
tors. eta vs tors. theta energy: -10.606
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: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -243.292496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.292496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.292496 (E_RNA)
where:
Base-Base interactions energy: -134.390
where: short stacking energy: -94.007
Base-Backbone interact. energy: -1.002
local terms energy: -107.900262
where:
bonds (distance) C4'-P energy: -26.070
bonds (distance) P-C4' energy: -24.732
flat angles C4'-P-C4' energy: -25.502
flat angles P-C4'-P energy: -16.615
tors. eta vs tors. theta energy: -14.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -272.039829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.039829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.039829 (E_RNA)
where:
Base-Base interactions energy: -155.602
where: short stacking energy: -91.193
Base-Backbone interact. energy: 0.493
local terms energy: -116.930769
where:
bonds (distance) C4'-P energy: -26.060
bonds (distance) P-C4' energy: -26.819
flat angles C4'-P-C4' energy: -29.657
flat angles P-C4'-P energy: -20.421
tors. eta vs tors. theta energy: -13.974
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: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -182.561191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.561191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.561191 (E_RNA)
where:
Base-Base interactions energy: -96.533
where: short stacking energy: -73.439
Base-Backbone interact. energy: -0.230
local terms energy: -85.798231
where:
bonds (distance) C4'-P energy: -27.885
bonds (distance) P-C4' energy: -31.311
flat angles C4'-P-C4' energy: -29.093
flat angles P-C4'-P energy: 1.708
tors. eta vs tors. theta energy: 0.783
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: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -164.552654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.552654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.552654 (E_RNA)
where:
Base-Base interactions energy: -82.965
where: short stacking energy: -68.792
Base-Backbone interact. energy: -1.016
local terms energy: -80.571390
where:
bonds (distance) C4'-P energy: -22.731
bonds (distance) P-C4' energy: -25.089
flat angles C4'-P-C4' energy: -23.119
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -0.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -206.673478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.673478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.673478 (E_RNA)
where:
Base-Base interactions energy: -110.407
where: short stacking energy: -64.964
Base-Backbone interact. energy: -0.277
local terms energy: -95.988573
where:
bonds (distance) C4'-P energy: -22.516
bonds (distance) P-C4' energy: -29.008
flat angles C4'-P-C4' energy: -20.499
flat angles P-C4'-P energy: -20.345
tors. eta vs tors. theta energy: -3.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -500.492421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.492421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.492421 (E_RNA)
where:
Base-Base interactions energy: -331.319
where: short stacking energy: -141.133
Base-Backbone interact. energy: -0.672
local terms energy: -168.502067
where:
bonds (distance) C4'-P energy: -36.670
bonds (distance) P-C4' energy: -34.598
flat angles C4'-P-C4' energy: -40.903
flat angles P-C4'-P energy: -25.632
tors. eta vs tors. theta energy: -30.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -443.440899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.440899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.440899 (E_RNA)
where:
Base-Base interactions energy: -294.945
where: short stacking energy: -136.709
Base-Backbone interact. energy: -1.498
local terms energy: -146.998215
where:
bonds (distance) C4'-P energy: -32.730
bonds (distance) P-C4' energy: -32.095
flat angles C4'-P-C4' energy: -26.974
flat angles P-C4'-P energy: -24.640
tors. eta vs tors. theta energy: -30.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -387.826927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.826927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.826927 (E_RNA)
where:
Base-Base interactions energy: -241.698
where: short stacking energy: -132.467
Base-Backbone interact. energy: -0.801
local terms energy: -145.327473
where:
bonds (distance) C4'-P energy: -28.644
bonds (distance) P-C4' energy: -29.121
flat angles C4'-P-C4' energy: -33.289
flat angles P-C4'-P energy: -27.595
tors. eta vs tors. theta energy: -26.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -327.948987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.948987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.948987 (E_RNA)
where:
Base-Base interactions energy: -194.924
where: short stacking energy: -112.460
Base-Backbone interact. energy: -2.180
local terms energy: -130.845071
where:
bonds (distance) C4'-P energy: -22.351
bonds (distance) P-C4' energy: -35.409
flat angles C4'-P-C4' energy: -31.023
flat angles P-C4'-P energy: -21.304
tors. eta vs tors. theta energy: -20.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -297.389805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.389805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.389805 (E_RNA)
where:
Base-Base interactions energy: -169.813
where: short stacking energy: -88.664
Base-Backbone interact. energy: -0.226
local terms energy: -127.350929
where:
bonds (distance) C4'-P energy: -33.108
bonds (distance) P-C4' energy: -33.786
flat angles C4'-P-C4' energy: -34.195
flat angles P-C4'-P energy: -15.794
tors. eta vs tors. theta energy: -10.468
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: 5
Temperature: 1.150000
Total energy: -316.744698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.744698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.744698 (E_RNA)
where:
Base-Base interactions energy: -192.055
where: short stacking energy: -89.938
Base-Backbone interact. energy: 0.033
local terms energy: -124.722695
where:
bonds (distance) C4'-P energy: -27.070
bonds (distance) P-C4' energy: -31.038
flat angles C4'-P-C4' energy: -38.044
flat angles P-C4'-P energy: -16.718
tors. eta vs tors. theta energy: -11.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -239.682114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.682114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.682114 (E_RNA)
where:
Base-Base interactions energy: -119.612
where: short stacking energy: -54.761
Base-Backbone interact. energy: -0.817
local terms energy: -119.253205
where:
bonds (distance) C4'-P energy: -27.822
bonds (distance) P-C4' energy: -34.075
flat angles C4'-P-C4' energy: -30.261
flat angles P-C4'-P energy: -21.010
tors. eta vs tors. theta energy: -6.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -185.759785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.759785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.759785 (E_RNA)
where:
Base-Base interactions energy: -64.088
where: short stacking energy: -52.944
Base-Backbone interact. energy: -0.208
local terms energy: -121.463563
where:
bonds (distance) C4'-P energy: -29.677
bonds (distance) P-C4' energy: -36.598
flat angles C4'-P-C4' energy: -26.573
flat angles P-C4'-P energy: -20.167
tors. eta vs tors. theta energy: -8.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -219.644773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.644773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.644773 (E_RNA)
where:
Base-Base interactions energy: -118.074
where: short stacking energy: -62.600
Base-Backbone interact. energy: -0.889
local terms energy: -100.681931
where:
bonds (distance) C4'-P energy: -19.494
bonds (distance) P-C4' energy: -32.558
flat angles C4'-P-C4' energy: -24.634
flat angles P-C4'-P energy: -21.899
tors. eta vs tors. theta energy: -2.096
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: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -150.373554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.373554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.373554 (E_RNA)
where:
Base-Base interactions energy: -52.612
where: short stacking energy: -49.966
Base-Backbone interact. energy: 0.870
local terms energy: -98.631329
where:
bonds (distance) C4'-P energy: -25.452
bonds (distance) P-C4' energy: -34.461
flat angles C4'-P-C4' energy: -30.956
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: 2.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -525.799637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.799637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.799637 (E_RNA)
where:
Base-Base interactions energy: -355.416
where: short stacking energy: -152.879
Base-Backbone interact. energy: -0.501
local terms energy: -169.882497
where:
bonds (distance) C4'-P energy: -37.281
bonds (distance) P-C4' energy: -32.909
flat angles C4'-P-C4' energy: -42.138
flat angles P-C4'-P energy: -26.670
tors. eta vs tors. theta energy: -30.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -466.452054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.452054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.452054 (E_RNA)
where:
Base-Base interactions energy: -316.413
where: short stacking energy: -139.980
Base-Backbone interact. energy: -0.145
local terms energy: -149.894014
where:
bonds (distance) C4'-P energy: -29.064
bonds (distance) P-C4' energy: -30.700
flat angles C4'-P-C4' energy: -37.390
flat angles P-C4'-P energy: -22.644
tors. eta vs tors. theta energy: -30.095
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: 1
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -431.857351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.857351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.857351 (E_RNA)
where:
Base-Base interactions energy: -272.864
where: short stacking energy: -116.191
Base-Backbone interact. energy: 0.270
local terms energy: -159.263215
where:
bonds (distance) C4'-P energy: -32.978
bonds (distance) P-C4' energy: -36.524
flat angles C4'-P-C4' energy: -38.119
flat angles P-C4'-P energy: -22.696
tors. eta vs tors. theta energy: -28.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -340.531876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.531876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.531876 (E_RNA)
where:
Base-Base interactions energy: -199.421
where: short stacking energy: -109.745
Base-Backbone interact. energy: -0.292
local terms energy: -140.818134
where:
bonds (distance) C4'-P energy: -36.100
bonds (distance) P-C4' energy: -31.894
flat angles C4'-P-C4' energy: -33.924
flat angles P-C4'-P energy: -18.766
tors. eta vs tors. theta energy: -20.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -380.833506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.833506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.833506 (E_RNA)
where:
Base-Base interactions energy: -240.921
where: short stacking energy: -118.208
Base-Backbone interact. energy: -0.195
local terms energy: -139.716956
where:
bonds (distance) C4'-P energy: -31.311
bonds (distance) P-C4' energy: -29.016
flat angles C4'-P-C4' energy: -31.696
flat angles P-C4'-P energy: -20.536
tors. eta vs tors. theta energy: -27.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -260.955861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.955861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.955861 (E_RNA)
where:
Base-Base interactions energy: -134.180
where: short stacking energy: -92.420
Base-Backbone interact. energy: -0.279
local terms energy: -126.496418
where:
bonds (distance) C4'-P energy: -27.812
bonds (distance) P-C4' energy: -36.523
flat angles C4'-P-C4' energy: -22.016
flat angles P-C4'-P energy: -24.958
tors. eta vs tors. theta energy: -15.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -241.073263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.073263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.073263 (E_RNA)
where:
Base-Base interactions energy: -115.918
where: short stacking energy: -86.256
Base-Backbone interact. energy: 1.139
local terms energy: -126.293864
where:
bonds (distance) C4'-P energy: -26.707
bonds (distance) P-C4' energy: -39.512
flat angles C4'-P-C4' energy: -33.954
flat angles P-C4'-P energy: -15.712
tors. eta vs tors. theta energy: -10.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -184.455059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.455059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.455059 (E_RNA)
where:
Base-Base interactions energy: -76.500
where: short stacking energy: -69.458
Base-Backbone interact. energy: 0.889
local terms energy: -108.844040
where:
bonds (distance) C4'-P energy: -29.344
bonds (distance) P-C4' energy: -28.556
flat angles C4'-P-C4' energy: -33.712
flat angles P-C4'-P energy: -5.456
tors. eta vs tors. theta energy: -11.776
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: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -248.373489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.373489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.373489 (E_RNA)
where:
Base-Base interactions energy: -133.063
where: short stacking energy: -63.325
Base-Backbone interact. energy: -1.275
local terms energy: -114.035284
where:
bonds (distance) C4'-P energy: -30.520
bonds (distance) P-C4' energy: -29.726
flat angles C4'-P-C4' energy: -36.721
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -6.364
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: 6
Temperature: 1.350000
Total energy: -174.750466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.750466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.750466 (E_RNA)
where:
Base-Base interactions energy: -88.106
where: short stacking energy: -50.042
Base-Backbone interact. energy: 0.024
local terms energy: -86.668730
where:
bonds (distance) C4'-P energy: -32.751
bonds (distance) P-C4' energy: -25.868
flat angles C4'-P-C4' energy: -23.818
flat angles P-C4'-P energy: -14.163
tors. eta vs tors. theta energy: 9.931
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: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -510.048188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.048188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.048188 (E_RNA)
where:
Base-Base interactions energy: -334.895
where: short stacking energy: -146.760
Base-Backbone interact. energy: -1.495
local terms energy: -173.658426
where:
bonds (distance) C4'-P energy: -32.925
bonds (distance) P-C4' energy: -39.868
flat angles C4'-P-C4' energy: -39.763
flat angles P-C4'-P energy: -26.079
tors. eta vs tors. theta energy: -35.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -487.447424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.447424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.447424 (E_RNA)
where:
Base-Base interactions energy: -316.355
where: short stacking energy: -146.515
Base-Backbone interact. energy: -1.427
local terms energy: -169.664633
where:
bonds (distance) C4'-P energy: -34.483
bonds (distance) P-C4' energy: -37.578
flat angles C4'-P-C4' energy: -36.452
flat angles P-C4'-P energy: -27.712
tors. eta vs tors. theta energy: -33.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -440.582702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.582702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.582702 (E_RNA)
where:
Base-Base interactions energy: -288.263
where: short stacking energy: -133.080
Base-Backbone interact. energy: -0.342
local terms energy: -151.976892
where:
bonds (distance) C4'-P energy: -28.402
bonds (distance) P-C4' energy: -34.106
flat angles C4'-P-C4' energy: -33.096
flat angles P-C4'-P energy: -22.217
tors. eta vs tors. theta energy: -34.156
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: 9
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -458.074583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.074583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.074583 (E_RNA)
where:
Base-Base interactions energy: -302.414
where: short stacking energy: -138.637
Base-Backbone interact. energy: -0.850
local terms energy: -154.810649
where:
bonds (distance) C4'-P energy: -35.418
bonds (distance) P-C4' energy: -31.570
flat angles C4'-P-C4' energy: -34.126
flat angles P-C4'-P energy: -23.085
tors. eta vs tors. theta energy: -30.612
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: 2
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -343.773283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.773283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.773283 (E_RNA)
where:
Base-Base interactions energy: -202.203
where: short stacking energy: -104.633
Base-Backbone interact. energy: -0.525
local terms energy: -141.045153
where:
bonds (distance) C4'-P energy: -33.314
bonds (distance) P-C4' energy: -33.318
flat angles C4'-P-C4' energy: -32.218
flat angles P-C4'-P energy: -18.706
tors. eta vs tors. theta energy: -23.489
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: 7
Temperature: 1.150000
Total energy: -254.586266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.586266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.586266 (E_RNA)
where:
Base-Base interactions energy: -158.689
where: short stacking energy: -87.990
Base-Backbone interact. energy: -0.694
local terms energy: -95.202709
where:
bonds (distance) C4'-P energy: -18.718
bonds (distance) P-C4' energy: -35.626
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -20.467
tors. eta vs tors. theta energy: -4.288
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: 7
Temperature: 1.200000
Total energy: -223.783943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.783943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.783943 (E_RNA)
where:
Base-Base interactions energy: -108.600
where: short stacking energy: -97.110
Base-Backbone interact. energy: 0.307
local terms energy: -115.491016
where:
bonds (distance) C4'-P energy: -31.683
bonds (distance) P-C4' energy: -21.436
flat angles C4'-P-C4' energy: -27.829
flat angles P-C4'-P energy: -17.210
tors. eta vs tors. theta energy: -17.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -240.610845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.610845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.610845 (E_RNA)
where:
Base-Base interactions energy: -139.165
where: short stacking energy: -61.394
Base-Backbone interact. energy: 0.243
local terms energy: -101.688828
where:
bonds (distance) C4'-P energy: -30.303
bonds (distance) P-C4' energy: -31.908
flat angles C4'-P-C4' energy: -23.391
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -3.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -177.292466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.292466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.292466 (E_RNA)
where:
Base-Base interactions energy: -82.870
where: short stacking energy: -71.207
Base-Backbone interact. energy: -0.374
local terms energy: -94.048872
where:
bonds (distance) C4'-P energy: -28.313
bonds (distance) P-C4' energy: -28.219
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -14.304
tors. eta vs tors. theta energy: -9.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -209.297492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.297492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.297492 (E_RNA)
where:
Base-Base interactions energy: -123.034
where: short stacking energy: -66.539
Base-Backbone interact. energy: -0.802
local terms energy: -85.461674
where:
bonds (distance) C4'-P energy: -21.982
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -26.827
flat angles P-C4'-P energy: -17.957
tors. eta vs tors. theta energy: -3.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -509.215886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.215886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.215886 (E_RNA)
where:
Base-Base interactions energy: -346.361
where: short stacking energy: -144.382
Base-Backbone interact. energy: -0.462
local terms energy: -162.392902
where:
bonds (distance) C4'-P energy: -30.165
bonds (distance) P-C4' energy: -36.105
flat angles C4'-P-C4' energy: -35.442
flat angles P-C4'-P energy: -28.597
tors. eta vs tors. theta energy: -32.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -485.925367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.925367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.925367 (E_RNA)
where:
Base-Base interactions energy: -322.993
where: short stacking energy: -130.316
Base-Backbone interact. energy: -2.293
local terms energy: -160.639525
where:
bonds (distance) C4'-P energy: -31.016
bonds (distance) P-C4' energy: -37.277
flat angles C4'-P-C4' energy: -33.327
flat angles P-C4'-P energy: -25.367
tors. eta vs tors. theta energy: -33.652
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: 9
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -486.923705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.923705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.923705 (E_RNA)
where:
Base-Base interactions energy: -318.311
where: short stacking energy: -134.950
Base-Backbone interact. energy: -1.494
local terms energy: -167.119232
where:
bonds (distance) C4'-P energy: -34.351
bonds (distance) P-C4' energy: -39.845
flat angles C4'-P-C4' energy: -31.852
flat angles P-C4'-P energy: -24.717
tors. eta vs tors. theta energy: -36.354
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: 1
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -461.739137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.739137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.739137 (E_RNA)
where:
Base-Base interactions energy: -323.115
where: short stacking energy: -136.870
Base-Backbone interact. energy: 0.592
local terms energy: -139.216163
where:
bonds (distance) C4'-P energy: -25.784
bonds (distance) P-C4' energy: -32.067
flat angles C4'-P-C4' energy: -32.180
flat angles P-C4'-P energy: -17.254
tors. eta vs tors. theta energy: -31.931
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: 2
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -355.484551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.484551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.484551 (E_RNA)
where:
Base-Base interactions energy: -241.317
where: short stacking energy: -117.610
Base-Backbone interact. energy: -0.042
local terms energy: -114.126029
where:
bonds (distance) C4'-P energy: -27.363
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -25.767
flat angles P-C4'-P energy: -24.091
tors. eta vs tors. theta energy: -18.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -285.985584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.985584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.985584 (E_RNA)
where:
Base-Base interactions energy: -157.787
where: short stacking energy: -108.705
Base-Backbone interact. energy: 1.776
local terms energy: -129.974261
where:
bonds (distance) C4'-P energy: -31.909
bonds (distance) P-C4' energy: -24.036
flat angles C4'-P-C4' energy: -31.336
flat angles P-C4'-P energy: -18.259
tors. eta vs tors. theta energy: -24.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -279.162178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.162178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.162178 (E_RNA)
where:
Base-Base interactions energy: -170.944
where: short stacking energy: -84.581
Base-Backbone interact. energy: 2.054
local terms energy: -110.272079
where:
bonds (distance) C4'-P energy: -23.675
bonds (distance) P-C4' energy: -32.781
flat angles C4'-P-C4' energy: -26.554
flat angles P-C4'-P energy: -20.053
tors. eta vs tors. theta energy: -7.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -288.597481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.597481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.597481 (E_RNA)
where:
Base-Base interactions energy: -154.602
where: short stacking energy: -80.369
Base-Backbone interact. energy: -0.692
local terms energy: -133.302661
where:
bonds (distance) C4'-P energy: -33.236
bonds (distance) P-C4' energy: -22.196
flat angles C4'-P-C4' energy: -33.787
flat angles P-C4'-P energy: -24.461
tors. eta vs tors. theta energy: -19.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -208.684166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.684166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.684166 (E_RNA)
where:
Base-Base interactions energy: -101.161
where: short stacking energy: -58.087
Base-Backbone interact. energy: -2.025
local terms energy: -105.498142
where:
bonds (distance) C4'-P energy: -27.316
bonds (distance) P-C4' energy: -33.441
flat angles C4'-P-C4' energy: -25.181
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -6.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -161.472837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.472837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.472837 (E_RNA)
where:
Base-Base interactions energy: -59.434
where: short stacking energy: -31.680
Base-Backbone interact. energy: 0.339
local terms energy: -102.377696
where:
bonds (distance) C4'-P energy: -26.832
bonds (distance) P-C4' energy: -34.648
flat angles C4'-P-C4' energy: -21.852
flat angles P-C4'-P energy: -20.680
tors. eta vs tors. theta energy: 1.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -514.642765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.642765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.642765 (E_RNA)
where:
Base-Base interactions energy: -346.569
where: short stacking energy: -149.676
Base-Backbone interact. energy: 0.256
local terms energy: -168.329752
where:
bonds (distance) C4'-P energy: -34.364
bonds (distance) P-C4' energy: -38.599
flat angles C4'-P-C4' energy: -37.610
flat angles P-C4'-P energy: -28.529
tors. eta vs tors. theta energy: -29.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -481.290640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.290640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.290640 (E_RNA)
where:
Base-Base interactions energy: -324.258
where: short stacking energy: -134.466
Base-Backbone interact. energy: -1.296
local terms energy: -155.736362
where:
bonds (distance) C4'-P energy: -29.641
bonds (distance) P-C4' energy: -35.340
flat angles C4'-P-C4' energy: -34.944
flat angles P-C4'-P energy: -26.651
tors. eta vs tors. theta energy: -29.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -473.781081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.781081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.781081 (E_RNA)
where:
Base-Base interactions energy: -320.055
where: short stacking energy: -144.320
Base-Backbone interact. energy: 0.500
local terms energy: -154.226677
where:
bonds (distance) C4'-P energy: -34.044
bonds (distance) P-C4' energy: -29.710
flat angles C4'-P-C4' energy: -32.167
flat angles P-C4'-P energy: -25.048
tors. eta vs tors. theta energy: -33.258
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: 9
Temperature: 1.050000
Total energy: -441.312729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.312729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.312729 (E_RNA)
where:
Base-Base interactions energy: -305.231
where: short stacking energy: -118.603
Base-Backbone interact. energy: 0.081
local terms energy: -136.163073
where:
bonds (distance) C4'-P energy: -29.554
bonds (distance) P-C4' energy: -32.396
flat angles C4'-P-C4' energy: -36.527
flat angles P-C4'-P energy: -21.447
tors. eta vs tors. theta energy: -16.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -355.082961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.082961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.082961 (E_RNA)
where:
Base-Base interactions energy: -219.035
where: short stacking energy: -108.886
Base-Backbone interact. energy: -0.492
local terms energy: -135.555813
where:
bonds (distance) C4'-P energy: -32.682
bonds (distance) P-C4' energy: -25.897
flat angles C4'-P-C4' energy: -38.337
flat angles P-C4'-P energy: -18.304
tors. eta vs tors. theta energy: -20.335
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: 5
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -303.980821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.980821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.980821 (E_RNA)
where:
Base-Base interactions energy: -189.292
where: short stacking energy: -100.333
Base-Backbone interact. energy: -0.599
local terms energy: -114.089965
where:
bonds (distance) C4'-P energy: -22.756
bonds (distance) P-C4' energy: -28.391
flat angles C4'-P-C4' energy: -34.553
flat angles P-C4'-P energy: -16.683
tors. eta vs tors. theta energy: -11.707
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: 7
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -334.290800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.290800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.290800 (E_RNA)
where:
Base-Base interactions energy: -207.643
where: short stacking energy: -104.534
Base-Backbone interact. energy: -0.922
local terms energy: -125.726343
where:
bonds (distance) C4'-P energy: -21.739
bonds (distance) P-C4' energy: -36.568
flat angles C4'-P-C4' energy: -33.819
flat angles P-C4'-P energy: -20.906
tors. eta vs tors. theta energy: -12.694
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: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -383.991470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.991470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.991470 (E_RNA)
where:
Base-Base interactions energy: -245.660
where: short stacking energy: -119.457
Base-Backbone interact. energy: -0.493
local terms energy: -137.838685
where:
bonds (distance) C4'-P energy: -30.147
bonds (distance) P-C4' energy: -28.861
flat angles C4'-P-C4' energy: -27.525
flat angles P-C4'-P energy: -21.936
tors. eta vs tors. theta energy: -29.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -179.720958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.720958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.720958 (E_RNA)
where:
Base-Base interactions energy: -80.203
where: short stacking energy: -61.317
Base-Backbone interact. energy: 0.821
local terms energy: -100.339437
where:
bonds (distance) C4'-P energy: -29.083
bonds (distance) P-C4' energy: -25.590
flat angles C4'-P-C4' energy: -27.163
flat angles P-C4'-P energy: -21.281
tors. eta vs tors. theta energy: 2.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -169.427259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.427259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.427259 (E_RNA)
where:
Base-Base interactions energy: -66.263
where: short stacking energy: -52.766
Base-Backbone interact. energy: 1.713
local terms energy: -104.876840
where:
bonds (distance) C4'-P energy: -31.546
bonds (distance) P-C4' energy: -27.944
flat angles C4'-P-C4' energy: -29.052
flat angles P-C4'-P energy: -15.950
tors. eta vs tors. theta energy: -0.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -519.199623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.199623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.199623 (E_RNA)
where:
Base-Base interactions energy: -346.731
where: short stacking energy: -158.103
Base-Backbone interact. energy: -0.435
local terms energy: -172.033112
where:
bonds (distance) C4'-P energy: -33.538
bonds (distance) P-C4' energy: -37.142
flat angles C4'-P-C4' energy: -37.803
flat angles P-C4'-P energy: -23.076
tors. eta vs tors. theta energy: -40.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -490.903535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.903535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.903535 (E_RNA)
where:
Base-Base interactions energy: -329.927
where: short stacking energy: -149.393
Base-Backbone interact. energy: -1.561
local terms energy: -159.415373
where:
bonds (distance) C4'-P energy: -29.575
bonds (distance) P-C4' energy: -31.841
flat angles C4'-P-C4' energy: -37.551
flat angles P-C4'-P energy: -26.325
tors. eta vs tors. theta energy: -34.124
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: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -467.912693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.912693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.912693 (E_RNA)
where:
Base-Base interactions energy: -318.017
where: short stacking energy: -123.391
Base-Backbone interact. energy: 0.824
local terms energy: -150.719632
where:
bonds (distance) C4'-P energy: -36.635
bonds (distance) P-C4' energy: -32.225
flat angles C4'-P-C4' energy: -38.103
flat angles P-C4'-P energy: -24.895
tors. eta vs tors. theta energy: -18.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -456.714422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.714422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.714422 (E_RNA)
where:
Base-Base interactions energy: -293.695
where: short stacking energy: -128.766
Base-Backbone interact. energy: -0.538
local terms energy: -162.481384
where:
bonds (distance) C4'-P energy: -29.443
bonds (distance) P-C4' energy: -38.201
flat angles C4'-P-C4' energy: -37.694
flat angles P-C4'-P energy: -21.577
tors. eta vs tors. theta energy: -35.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -358.214116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.214116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.214116 (E_RNA)
where:
Base-Base interactions energy: -237.721
where: short stacking energy: -106.028
Base-Backbone interact. energy: -1.133
local terms energy: -119.360673
where:
bonds (distance) C4'-P energy: -27.676
bonds (distance) P-C4' energy: -34.510
flat angles C4'-P-C4' energy: -24.550
flat angles P-C4'-P energy: -18.922
tors. eta vs tors. theta energy: -13.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -328.502360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.502360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.502360 (E_RNA)
where:
Base-Base interactions energy: -195.727
where: short stacking energy: -97.976
Base-Backbone interact. energy: -1.373
local terms energy: -131.402398
where:
bonds (distance) C4'-P energy: -30.261
bonds (distance) P-C4' energy: -31.479
flat angles C4'-P-C4' energy: -30.595
flat angles P-C4'-P energy: -20.441
tors. eta vs tors. theta energy: -18.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -381.143421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.143421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.143421 (E_RNA)
where:
Base-Base interactions energy: -247.071
where: short stacking energy: -99.562
Base-Backbone interact. energy: -0.472
local terms energy: -133.600544
where:
bonds (distance) C4'-P energy: -35.861
bonds (distance) P-C4' energy: -28.063
flat angles C4'-P-C4' energy: -35.937
flat angles P-C4'-P energy: -15.569
tors. eta vs tors. theta energy: -18.172
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: 7
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -342.065947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.065947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.065947 (E_RNA)
where:
Base-Base interactions energy: -223.884
where: short stacking energy: -96.290
Base-Backbone interact. energy: 1.395
local terms energy: -119.577166
where:
bonds (distance) C4'-P energy: -32.298
bonds (distance) P-C4' energy: -29.696
flat angles C4'-P-C4' energy: -32.298
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -14.182
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: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -187.583061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.583061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.583061 (E_RNA)
where:
Base-Base interactions energy: -80.111
where: short stacking energy: -49.024
Base-Backbone interact. energy: -0.806
local terms energy: -106.665860
where:
bonds (distance) C4'-P energy: -22.741
bonds (distance) P-C4' energy: -34.054
flat angles C4'-P-C4' energy: -32.370
flat angles P-C4'-P energy: -15.587
tors. eta vs tors. theta energy: -1.914
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: 10, replica: 6
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -205.005155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.005155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.005155 (E_RNA)
where:
Base-Base interactions energy: -104.198
where: short stacking energy: -54.866
Base-Backbone interact. energy: 0.009
local terms energy: -100.815968
where:
bonds (distance) C4'-P energy: -29.827
bonds (distance) P-C4' energy: -29.293
flat angles C4'-P-C4' energy: -27.267
flat angles P-C4'-P energy: -16.248
tors. eta vs tors. theta energy: 1.819
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: 3
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -522.967357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.967357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.967357 (E_RNA)
where:
Base-Base interactions energy: -355.014
where: short stacking energy: -152.726
Base-Backbone interact. energy: -0.473
local terms energy: -167.479947
where:
bonds (distance) C4'-P energy: -30.789
bonds (distance) P-C4' energy: -37.250
flat angles C4'-P-C4' energy: -40.770
flat angles P-C4'-P energy: -21.905
tors. eta vs tors. theta energy: -36.767
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: 9
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -488.718943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.718943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.718943 (E_RNA)
where:
Base-Base interactions energy: -328.190
where: short stacking energy: -148.251
Base-Backbone interact. energy: 3.408
local terms energy: -163.937216
where:
bonds (distance) C4'-P energy: -32.986
bonds (distance) P-C4' energy: -33.905
flat angles C4'-P-C4' energy: -34.803
flat angles P-C4'-P energy: -22.009
tors. eta vs tors. theta energy: -40.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -422.207001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.207001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.207001 (E_RNA)
where:
Base-Base interactions energy: -277.019
where: short stacking energy: -109.275
Base-Backbone interact. energy: -1.539
local terms energy: -143.648924
where:
bonds (distance) C4'-P energy: -32.005
bonds (distance) P-C4' energy: -34.410
flat angles C4'-P-C4' energy: -36.496
flat angles P-C4'-P energy: -21.713
tors. eta vs tors. theta energy: -19.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -461.858811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.858811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.858811 (E_RNA)
where:
Base-Base interactions energy: -310.660
where: short stacking energy: -140.196
Base-Backbone interact. energy: -1.095
local terms energy: -150.104067
where:
bonds (distance) C4'-P energy: -31.020
bonds (distance) P-C4' energy: -31.767
flat angles C4'-P-C4' energy: -40.349
flat angles P-C4'-P energy: -18.397
tors. eta vs tors. theta energy: -28.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -371.135152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.135152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.135152 (E_RNA)
where:
Base-Base interactions energy: -243.605
where: short stacking energy: -120.040
Base-Backbone interact. energy: -1.179
local terms energy: -126.351376
where:
bonds (distance) C4'-P energy: -33.595
bonds (distance) P-C4' energy: -22.224
flat angles C4'-P-C4' energy: -27.367
flat angles P-C4'-P energy: -22.351
tors. eta vs tors. theta energy: -20.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -425.957549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.957549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.957549 (E_RNA)
where:
Base-Base interactions energy: -277.213
where: short stacking energy: -136.461
Base-Backbone interact. energy: -0.371
local terms energy: -148.374223
where:
bonds (distance) C4'-P energy: -32.485
bonds (distance) P-C4' energy: -31.019
flat angles C4'-P-C4' energy: -30.853
flat angles P-C4'-P energy: -22.943
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: 7, replica: 5
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -300.360837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.360837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.360837 (E_RNA)
where:
Base-Base interactions energy: -167.613
where: short stacking energy: -100.809
Base-Backbone interact. energy: 1.387
local terms energy: -134.134979
where:
bonds (distance) C4'-P energy: -34.593
bonds (distance) P-C4' energy: -29.264
flat angles C4'-P-C4' energy: -33.546
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -23.997
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: 7
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -266.116552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.116552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.116552 (E_RNA)
where:
Base-Base interactions energy: -153.970
where: short stacking energy: -78.405
Base-Backbone interact. energy: -0.517
local terms energy: -111.630183
where:
bonds (distance) C4'-P energy: -23.391
bonds (distance) P-C4' energy: -29.275
flat angles C4'-P-C4' energy: -33.252
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -14.540
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: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -170.701742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.701742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.701742 (E_RNA)
where:
Base-Base interactions energy: -57.451
where: short stacking energy: -52.645
Base-Backbone interact. energy: 1.916
local terms energy: -115.166299
where:
bonds (distance) C4'-P energy: -33.829
bonds (distance) P-C4' energy: -34.260
flat angles C4'-P-C4' energy: -26.883
flat angles P-C4'-P energy: -21.026
tors. eta vs tors. theta energy: 0.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -202.337100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.337100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.337100 (E_RNA)
where:
Base-Base interactions energy: -100.838
where: short stacking energy: -65.406
Base-Backbone interact. energy: -0.084
local terms energy: -101.414811
where:
bonds (distance) C4'-P energy: -28.550
bonds (distance) P-C4' energy: -30.855
flat angles C4'-P-C4' energy: -24.758
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -8.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -501.230184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.230184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.230184 (E_RNA)
where:
Base-Base interactions energy: -332.791
where: short stacking energy: -152.532
Base-Backbone interact. energy: -0.351
local terms energy: -168.088260
where:
bonds (distance) C4'-P energy: -35.326
bonds (distance) P-C4' energy: -37.143
flat angles C4'-P-C4' energy: -36.522
flat angles P-C4'-P energy: -21.287
tors. eta vs tors. theta energy: -37.810
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: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -500.756883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.756883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.756883 (E_RNA)
where:
Base-Base interactions energy: -328.003
where: short stacking energy: -146.877
Base-Backbone interact. energy: 0.116
local terms energy: -172.870425
where:
bonds (distance) C4'-P energy: -35.000
bonds (distance) P-C4' energy: -36.904
flat angles C4'-P-C4' energy: -39.202
flat angles P-C4'-P energy: -24.543
tors. eta vs tors. theta energy: -37.221
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: 1
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -397.261531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.261531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.261531 (E_RNA)
where:
Base-Base interactions energy: -245.926
where: short stacking energy: -121.224
Base-Backbone interact. energy: -0.173
local terms energy: -151.162174
where:
bonds (distance) C4'-P energy: -32.027
bonds (distance) P-C4' energy: -38.870
flat angles C4'-P-C4' energy: -32.751
flat angles P-C4'-P energy: -24.711
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: 4, replica: 4
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -441.854265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.854265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.854265 (E_RNA)
where:
Base-Base interactions energy: -288.917
where: short stacking energy: -121.790
Base-Backbone interact. energy: -1.321
local terms energy: -151.615757
where:
bonds (distance) C4'-P energy: -30.850
bonds (distance) P-C4' energy: -35.096
flat angles C4'-P-C4' energy: -33.750
flat angles P-C4'-P energy: -21.970
tors. eta vs tors. theta energy: -29.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -436.915700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.915700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.915700 (E_RNA)
where:
Base-Base interactions energy: -275.690
where: short stacking energy: -134.236
Base-Backbone interact. energy: 1.520
local terms energy: -162.744873
where:
bonds (distance) C4'-P energy: -31.219
bonds (distance) P-C4' energy: -38.661
flat angles C4'-P-C4' energy: -36.239
flat angles P-C4'-P energy: -23.208
tors. eta vs tors. theta energy: -33.419
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: 2
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -338.955186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.955186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.955186 (E_RNA)
where:
Base-Base interactions energy: -213.306
where: short stacking energy: -94.407
Base-Backbone interact. energy: -0.350
local terms energy: -125.299292
where:
bonds (distance) C4'-P energy: -20.964
bonds (distance) P-C4' energy: -32.593
flat angles C4'-P-C4' energy: -29.069
flat angles P-C4'-P energy: -22.895
tors. eta vs tors. theta energy: -19.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -308.741213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.741213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.741213 (E_RNA)
where:
Base-Base interactions energy: -191.704
where: short stacking energy: -95.556
Base-Backbone interact. energy: -1.563
local terms energy: -115.474512
where:
bonds (distance) C4'-P energy: -36.634
bonds (distance) P-C4' energy: -31.483
flat angles C4'-P-C4' energy: -22.305
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -18.392
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: 5
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -313.033707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.033707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.033707 (E_RNA)
where:
Base-Base interactions energy: -193.977
where: short stacking energy: -104.285
Base-Backbone interact. energy: -1.206
local terms energy: -117.851196
where:
bonds (distance) C4'-P energy: -23.624
bonds (distance) P-C4' energy: -27.554
flat angles C4'-P-C4' energy: -23.354
flat angles P-C4'-P energy: -16.895
tors. eta vs tors. theta energy: -26.424
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: 9, replica: 6
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -203.212152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.212152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.212152 (E_RNA)
where:
Base-Base interactions energy: -81.622
where: short stacking energy: -58.903
Base-Backbone interact. energy: -0.217
local terms energy: -121.373203
where:
bonds (distance) C4'-P energy: -34.362
bonds (distance) P-C4' energy: -36.934
flat angles C4'-P-C4' energy: -24.732
flat angles P-C4'-P energy: -18.127
tors. eta vs tors. theta energy: -7.219
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: 12
Temperature: 1.350000
Total energy: -170.357241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.357241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.357241 (E_RNA)
where:
Base-Base interactions energy: -79.728
where: short stacking energy: -65.845
Base-Backbone interact. energy: 2.409
local terms energy: -93.038778
where:
bonds (distance) C4'-P energy: -29.298
bonds (distance) P-C4' energy: -24.168
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -19.133
tors. eta vs tors. theta energy: -3.208
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: 9
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -508.697753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.697753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.697753 (E_RNA)
where:
Base-Base interactions energy: -341.675
where: short stacking energy: -145.177
Base-Backbone interact. energy: -0.311
local terms energy: -166.711825
where:
bonds (distance) C4'-P energy: -36.917
bonds (distance) P-C4' energy: -33.241
flat angles C4'-P-C4' energy: -34.406
flat angles P-C4'-P energy: -27.254
tors. eta vs tors. theta energy: -34.894
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: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -509.554806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.554806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.554806 (E_RNA)
where:
Base-Base interactions energy: -341.298
where: short stacking energy: -164.811
Base-Backbone interact. energy: -0.137
local terms energy: -168.119499
where:
bonds (distance) C4'-P energy: -29.546
bonds (distance) P-C4' energy: -34.297
flat angles C4'-P-C4' energy: -37.397
flat angles P-C4'-P energy: -19.571
tors. eta vs tors. theta energy: -47.309
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: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -450.692888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.692888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.692888 (E_RNA)
where:
Base-Base interactions energy: -296.932
where: short stacking energy: -122.218
Base-Backbone interact. energy: -1.177
local terms energy: -152.584647
where:
bonds (distance) C4'-P energy: -32.414
bonds (distance) P-C4' energy: -36.700
flat angles C4'-P-C4' energy: -33.963
flat angles P-C4'-P energy: -26.667
tors. eta vs tors. theta energy: -22.841
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: 8
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -484.555478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.555478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.555478 (E_RNA)
where:
Base-Base interactions energy: -327.522
where: short stacking energy: -159.704
Base-Backbone interact. energy: -0.092
local terms energy: -156.942369
where:
bonds (distance) C4'-P energy: -25.665
bonds (distance) P-C4' energy: -35.721
flat angles C4'-P-C4' energy: -31.411
flat angles P-C4'-P energy: -20.382
tors. eta vs tors. theta energy: -43.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -433.490619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.490619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.490619 (E_RNA)
where:
Base-Base interactions energy: -277.313
where: short stacking energy: -121.214
Base-Backbone interact. energy: 1.071
local terms energy: -157.247791
where:
bonds (distance) C4'-P energy: -31.884
bonds (distance) P-C4' energy: -38.072
flat angles C4'-P-C4' energy: -35.139
flat angles P-C4'-P energy: -24.322
tors. eta vs tors. theta energy: -27.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -329.698202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.698202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.698202 (E_RNA)
where:
Base-Base interactions energy: -206.181
where: short stacking energy: -107.075
Base-Backbone interact. energy: 1.521
local terms energy: -125.038495
where:
bonds (distance) C4'-P energy: -29.128
bonds (distance) P-C4' energy: -31.563
flat angles C4'-P-C4' energy: -25.383
flat angles P-C4'-P energy: -24.668
tors. eta vs tors. theta energy: -14.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -340.926900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.926900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.926900 (E_RNA)
where:
Base-Base interactions energy: -212.112
where: short stacking energy: -103.474
Base-Backbone interact. energy: -0.679
local terms energy: -128.135214
where:
bonds (distance) C4'-P energy: -23.078
bonds (distance) P-C4' energy: -32.884
flat angles C4'-P-C4' energy: -32.373
flat angles P-C4'-P energy: -21.161
tors. eta vs tors. theta energy: -18.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -323.743867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.743867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.743867 (E_RNA)
where:
Base-Base interactions energy: -192.536
where: short stacking energy: -86.518
Base-Backbone interact. energy: 0.069
local terms energy: -131.276865
where:
bonds (distance) C4'-P energy: -27.166
bonds (distance) P-C4' energy: -32.706
flat angles C4'-P-C4' energy: -30.710
flat angles P-C4'-P energy: -22.272
tors. eta vs tors. theta energy: -18.423
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: 9, replica: 6
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -181.690506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.690506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.690506 (E_RNA)
where:
Base-Base interactions energy: -72.554
where: short stacking energy: -67.110
Base-Backbone interact. energy: 1.507
local terms energy: -110.644385
where:
bonds (distance) C4'-P energy: -28.661
bonds (distance) P-C4' energy: -29.923
flat angles C4'-P-C4' energy: -35.461
flat angles P-C4'-P energy: -15.235
tors. eta vs tors. theta energy: -1.365
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: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -178.689485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.689485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.689485 (E_RNA)
where:
Base-Base interactions energy: -70.705
where: short stacking energy: -59.085
Base-Backbone interact. energy: -0.521
local terms energy: -107.462784
where:
bonds (distance) C4'-P energy: -21.861
bonds (distance) P-C4' energy: -32.931
flat angles C4'-P-C4' energy: -29.816
flat angles P-C4'-P energy: -14.828
tors. eta vs tors. theta energy: -8.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -519.483937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.483937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.483937 (E_RNA)
where:
Base-Base interactions energy: -354.533
where: short stacking energy: -145.833
Base-Backbone interact. energy: -1.191
local terms energy: -163.760133
where:
bonds (distance) C4'-P energy: -36.008
bonds (distance) P-C4' energy: -30.304
flat angles C4'-P-C4' energy: -35.400
flat angles P-C4'-P energy: -27.774
tors. eta vs tors. theta energy: -34.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -504.954179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.954179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.954179 (E_RNA)
where:
Base-Base interactions energy: -336.840
where: short stacking energy: -145.866
Base-Backbone interact. energy: -0.530
local terms energy: -167.584117
where:
bonds (distance) C4'-P energy: -32.528
bonds (distance) P-C4' energy: -35.348
flat angles C4'-P-C4' energy: -34.585
flat angles P-C4'-P energy: -30.493
tors. eta vs tors. theta energy: -34.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -484.848767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.848767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.848767 (E_RNA)
where:
Base-Base interactions energy: -303.444
where: short stacking energy: -145.771
Base-Backbone interact. energy: -0.148
local terms energy: -181.256969
where:
bonds (distance) C4'-P energy: -32.324
bonds (distance) P-C4' energy: -37.530
flat angles C4'-P-C4' energy: -39.948
flat angles P-C4'-P energy: -27.703
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: 4, replica: 1
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -450.012227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.012227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.012227 (E_RNA)
where:
Base-Base interactions energy: -306.507
where: short stacking energy: -117.125
Base-Backbone interact. energy: -1.219
local terms energy: -142.286626
where:
bonds (distance) C4'-P energy: -28.810
bonds (distance) P-C4' energy: -31.447
flat angles C4'-P-C4' energy: -29.617
flat angles P-C4'-P energy: -22.983
tors. eta vs tors. theta energy: -29.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -425.226723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.226723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.226723 (E_RNA)
where:
Base-Base interactions energy: -278.791
where: short stacking energy: -123.347
Base-Backbone interact. energy: -0.377
local terms energy: -146.058573
where:
bonds (distance) C4'-P energy: -23.967
bonds (distance) P-C4' energy: -38.865
flat angles C4'-P-C4' energy: -34.985
flat angles P-C4'-P energy: -20.486
tors. eta vs tors. theta energy: -27.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -330.563202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.563202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.563202 (E_RNA)
where:
Base-Base interactions energy: -195.556
where: short stacking energy: -104.826
Base-Backbone interact. energy: 1.236
local terms energy: -136.244189
where:
bonds (distance) C4'-P energy: -31.757
bonds (distance) P-C4' energy: -33.285
flat angles C4'-P-C4' energy: -29.335
flat angles P-C4'-P energy: -18.716
tors. eta vs tors. theta energy: -23.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -350.809000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.809000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.809000 (E_RNA)
where:
Base-Base interactions energy: -223.389
where: short stacking energy: -111.481
Base-Backbone interact. energy: -0.650
local terms energy: -126.769830
where:
bonds (distance) C4'-P energy: -18.841
bonds (distance) P-C4' energy: -29.681
flat angles C4'-P-C4' energy: -37.357
flat angles P-C4'-P energy: -20.450
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: 8, replica: 7
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -308.357179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.357179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.357179 (E_RNA)
where:
Base-Base interactions energy: -187.935
where: short stacking energy: -97.819
Base-Backbone interact. energy: -1.328
local terms energy: -119.094564
where:
bonds (distance) C4'-P energy: -28.983
bonds (distance) P-C4' energy: -31.923
flat angles C4'-P-C4' energy: -26.055
flat angles P-C4'-P energy: -19.055
tors. eta vs tors. theta energy: -13.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -167.114382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.114382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.114382 (E_RNA)
where:
Base-Base interactions energy: -66.268
where: short stacking energy: -58.232
Base-Backbone interact. energy: 0.054
local terms energy: -100.900435
where:
bonds (distance) C4'-P energy: -31.717
bonds (distance) P-C4' energy: -35.084
flat angles C4'-P-C4' energy: -24.353
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -0.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -161.740125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.740125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.740125 (E_RNA)
where:
Base-Base interactions energy: -68.760
where: short stacking energy: -34.451
Base-Backbone interact. energy: -0.602
local terms energy: -92.377921
where:
bonds (distance) C4'-P energy: -17.793
bonds (distance) P-C4' energy: -26.107
flat angles C4'-P-C4' energy: -30.250
flat angles P-C4'-P energy: -20.324
tors. eta vs tors. theta energy: 2.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -529.508855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.508855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.508855 (E_RNA)
where:
Base-Base interactions energy: -359.328
where: short stacking energy: -151.856
Base-Backbone interact. energy: -0.540
local terms energy: -169.640339
where:
bonds (distance) C4'-P energy: -39.420
bonds (distance) P-C4' energy: -36.042
flat angles C4'-P-C4' energy: -28.905
flat angles P-C4'-P energy: -27.131
tors. eta vs tors. theta energy: -38.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -502.605827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.605827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.605827 (E_RNA)
where:
Base-Base interactions energy: -326.958
where: short stacking energy: -167.735
Base-Backbone interact. energy: -1.076
local terms energy: -174.572710
where:
bonds (distance) C4'-P energy: -32.949
bonds (distance) P-C4' energy: -33.862
flat angles C4'-P-C4' energy: -41.880
flat angles P-C4'-P energy: -25.938
tors. eta vs tors. theta energy: -39.944
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: 8
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -505.700602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.700602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.700602 (E_RNA)
where:
Base-Base interactions energy: -326.658
where: short stacking energy: -160.371
Base-Backbone interact. energy: 1.239
local terms energy: -180.281523
where:
bonds (distance) C4'-P energy: -36.823
bonds (distance) P-C4' energy: -35.463
flat angles C4'-P-C4' energy: -40.515
flat angles P-C4'-P energy: -22.415
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: 4, replica: 4
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -440.962543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.962543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.962543 (E_RNA)
where:
Base-Base interactions energy: -298.737
where: short stacking energy: -125.827
Base-Backbone interact. energy: -0.130
local terms energy: -142.095673
where:
bonds (distance) C4'-P energy: -30.221
bonds (distance) P-C4' energy: -32.378
flat angles C4'-P-C4' energy: -34.331
flat angles P-C4'-P energy: -24.487
tors. eta vs tors. theta energy: -20.678
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: 1
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -447.172090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.172090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.172090 (E_RNA)
where:
Base-Base interactions energy: -309.594
where: short stacking energy: -107.982
Base-Backbone interact. energy: -0.953
local terms energy: -136.625186
where:
bonds (distance) C4'-P energy: -36.837
bonds (distance) P-C4' energy: -33.744
flat angles C4'-P-C4' energy: -28.991
flat angles P-C4'-P energy: -16.523
tors. eta vs tors. theta energy: -20.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -347.829000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.829000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.829000 (E_RNA)
where:
Base-Base interactions energy: -231.876
where: short stacking energy: -96.096
Base-Backbone interact. energy: -0.639
local terms energy: -115.314346
where:
bonds (distance) C4'-P energy: -27.444
bonds (distance) P-C4' energy: -25.747
flat angles C4'-P-C4' energy: -22.887
flat angles P-C4'-P energy: -18.605
tors. eta vs tors. theta energy: -20.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -323.083057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.083057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.083057 (E_RNA)
where:
Base-Base interactions energy: -210.884
where: short stacking energy: -120.236
Base-Backbone interact. energy: -0.268
local terms energy: -111.931146
where:
bonds (distance) C4'-P energy: -23.676
bonds (distance) P-C4' energy: -22.105
flat angles C4'-P-C4' energy: -24.133
flat angles P-C4'-P energy: -14.171
tors. eta vs tors. theta energy: -27.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -179.931972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.931972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.931972 (E_RNA)
where:
Base-Base interactions energy: -77.252
where: short stacking energy: -67.852
Base-Backbone interact. energy: -0.242
local terms energy: -102.438080
where:
bonds (distance) C4'-P energy: -34.866
bonds (distance) P-C4' energy: -32.239
flat angles C4'-P-C4' energy: -19.833
flat angles P-C4'-P energy: -13.567
tors. eta vs tors. theta energy: -1.933
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: 7
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -307.087454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.087454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.087454 (E_RNA)
where:
Base-Base interactions energy: -186.479
where: short stacking energy: -93.994
Base-Backbone interact. energy: -0.470
local terms energy: -120.138168
where:
bonds (distance) C4'-P energy: -29.714
bonds (distance) P-C4' energy: -29.152
flat angles C4'-P-C4' energy: -32.624
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -17.346
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: 6
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -166.821784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.821784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.821784 (E_RNA)
where:
Base-Base interactions energy: -79.300
where: short stacking energy: -65.490
Base-Backbone interact. energy: -1.005
local terms energy: -86.517612
where:
bonds (distance) C4'-P energy: -28.413
bonds (distance) P-C4' energy: -35.604
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -7.661
tors. eta vs tors. theta energy: 3.042
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: 3
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -532.890945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.890945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.890945 (E_RNA)
where:
Base-Base interactions energy: -360.724
where: short stacking energy: -167.533
Base-Backbone interact. energy: -0.373
local terms energy: -171.793294
where:
bonds (distance) C4'-P energy: -31.812
bonds (distance) P-C4' energy: -35.892
flat angles C4'-P-C4' energy: -35.713
flat angles P-C4'-P energy: -27.533
tors. eta vs tors. theta energy: -40.844
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: 2, replica: 9
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -507.820400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.820400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.820400 (E_RNA)
where:
Base-Base interactions energy: -352.637
where: short stacking energy: -141.321
Base-Backbone interact. energy: -0.760
local terms energy: -154.424180
where:
bonds (distance) C4'-P energy: -36.337
bonds (distance) P-C4' energy: -35.547
flat angles C4'-P-C4' energy: -35.639
flat angles P-C4'-P energy: -20.469
tors. eta vs tors. theta energy: -26.432
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: 8
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -485.417326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.417326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.417326 (E_RNA)
where:
Base-Base interactions energy: -315.344
where: short stacking energy: -148.230
Base-Backbone interact. energy: -0.079
local terms energy: -169.994426
where:
bonds (distance) C4'-P energy: -31.036
bonds (distance) P-C4' energy: -35.625
flat angles C4'-P-C4' energy: -33.435
flat angles P-C4'-P energy: -23.993
tors. eta vs tors. theta energy: -45.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -423.457830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.457830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.457830 (E_RNA)
where:
Base-Base interactions energy: -286.656
where: short stacking energy: -132.195
Base-Backbone interact. energy: 0.082
local terms energy: -136.883766
where:
bonds (distance) C4'-P energy: -29.721
bonds (distance) P-C4' energy: -24.592
flat angles C4'-P-C4' energy: -37.022
flat angles P-C4'-P energy: -21.416
tors. eta vs tors. theta energy: -24.132
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: 16
Temperature: 1.100000
Total energy: -456.027702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.027702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.027702 (E_RNA)
where:
Base-Base interactions energy: -308.544
where: short stacking energy: -119.563
Base-Backbone interact. energy: 0.674
local terms energy: -148.157926
where:
bonds (distance) C4'-P energy: -32.003
bonds (distance) P-C4' energy: -34.864
flat angles C4'-P-C4' energy: -35.101
flat angles P-C4'-P energy: -22.059
tors. eta vs tors. theta energy: -24.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -344.575915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.575915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.575915 (E_RNA)
where:
Base-Base interactions energy: -202.441
where: short stacking energy: -112.128
Base-Backbone interact. energy: -0.164
local terms energy: -141.970064
where:
bonds (distance) C4'-P energy: -31.800
bonds (distance) P-C4' energy: -35.198
flat angles C4'-P-C4' energy: -26.415
flat angles P-C4'-P energy: -21.267
tors. eta vs tors. theta energy: -27.291
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: 2
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -285.525297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.525297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.525297 (E_RNA)
where:
Base-Base interactions energy: -161.424
where: short stacking energy: -82.773
Base-Backbone interact. energy: -0.765
local terms energy: -123.336086
where:
bonds (distance) C4'-P energy: -34.580
bonds (distance) P-C4' energy: -33.661
flat angles C4'-P-C4' energy: -32.444
flat angles P-C4'-P energy: -16.874
tors. eta vs tors. theta energy: -5.776
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: 10
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -182.043466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.043466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.043466 (E_RNA)
where:
Base-Base interactions energy: -77.156
where: short stacking energy: -61.535
Base-Backbone interact. energy: -0.020
local terms energy: -104.867142
where:
bonds (distance) C4'-P energy: -34.616
bonds (distance) P-C4' energy: -27.251
flat angles C4'-P-C4' energy: -21.355
flat angles P-C4'-P energy: -16.964
tors. eta vs tors. theta energy: -4.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -281.770849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.770849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.770849 (E_RNA)
where:
Base-Base interactions energy: -182.406
where: short stacking energy: -71.788
Base-Backbone interact. energy: -0.994
local terms energy: -98.371234
where:
bonds (distance) C4'-P energy: -33.314
bonds (distance) P-C4' energy: -15.277
flat angles C4'-P-C4' energy: -28.420
flat angles P-C4'-P energy: -16.287
tors. eta vs tors. theta energy: -5.073
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: 10, replica: 6
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -214.123358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.123358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.123358 (E_RNA)
where:
Base-Base interactions energy: -122.236
where: short stacking energy: -72.075
Base-Backbone interact. energy: 1.131
local terms energy: -93.018149
where:
bonds (distance) C4'-P energy: -26.658
bonds (distance) P-C4' energy: -28.211
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -17.075
tors. eta vs tors. theta energy: -3.141
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: 3
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -523.591020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.591020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.591020 (E_RNA)
where:
Base-Base interactions energy: -357.315
where: short stacking energy: -165.308
Base-Backbone interact. energy: 1.550
local terms energy: -167.826191
where:
bonds (distance) C4'-P energy: -30.080
bonds (distance) P-C4' energy: -35.986
flat angles C4'-P-C4' energy: -37.105
flat angles P-C4'-P energy: -25.856
tors. eta vs tors. theta energy: -38.798
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: 9
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -529.927027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.927027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.927027 (E_RNA)
where:
Base-Base interactions energy: -348.096
where: short stacking energy: -157.806
Base-Backbone interact. energy: -0.922
local terms energy: -180.908831
where:
bonds (distance) C4'-P energy: -37.686
bonds (distance) P-C4' energy: -35.395
flat angles C4'-P-C4' energy: -40.691
flat angles P-C4'-P energy: -24.295
tors. eta vs tors. theta energy: -42.842
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: 3, replica: 8
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -525.881550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.881550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.881550 (E_RNA)
where:
Base-Base interactions energy: -351.687
where: short stacking energy: -167.349
Base-Backbone interact. energy: -0.156
local terms energy: -174.039134
where:
bonds (distance) C4'-P energy: -33.227
bonds (distance) P-C4' energy: -29.992
flat angles C4'-P-C4' energy: -34.643
flat angles P-C4'-P energy: -26.471
tors. eta vs tors. theta energy: -49.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -472.358321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.358321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.358321 (E_RNA)
where:
Base-Base interactions energy: -322.758
where: short stacking energy: -130.359
Base-Backbone interact. energy: -1.893
local terms energy: -147.707043
where:
bonds (distance) C4'-P energy: -20.984
bonds (distance) P-C4' energy: -38.358
flat angles C4'-P-C4' energy: -35.928
flat angles P-C4'-P energy: -22.341
tors. eta vs tors. theta energy: -30.096
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: 4
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -425.848743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.848743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.848743 (E_RNA)
where:
Base-Base interactions energy: -287.134
where: short stacking energy: -110.644
Base-Backbone interact. energy: 0.606
local terms energy: -139.320141
where:
bonds (distance) C4'-P energy: -24.314
bonds (distance) P-C4' energy: -31.465
flat angles C4'-P-C4' energy: -37.816
flat angles P-C4'-P energy: -23.271
tors. eta vs tors. theta energy: -22.455
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: 5
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -354.297605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.297605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.297605 (E_RNA)
where:
Base-Base interactions energy: -226.633
where: short stacking energy: -96.559
Base-Backbone interact. energy: -1.155
local terms energy: -126.509450
where:
bonds (distance) C4'-P energy: -26.718
bonds (distance) P-C4' energy: -30.773
flat angles C4'-P-C4' energy: -34.975
flat angles P-C4'-P energy: -20.762
tors. eta vs tors. theta energy: -13.282
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: 2
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -314.753538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.753538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.753538 (E_RNA)
where:
Base-Base interactions energy: -185.351
where: short stacking energy: -107.834
Base-Backbone interact. energy: -0.105
local terms energy: -129.297919
where:
bonds (distance) C4'-P energy: -30.057
bonds (distance) P-C4' energy: -34.846
flat angles C4'-P-C4' energy: -26.982
flat angles P-C4'-P energy: -23.325
tors. eta vs tors. theta energy: -14.088
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: 8, replica: 7
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -264.292639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.292639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.292639 (E_RNA)
where:
Base-Base interactions energy: -170.384
where: short stacking energy: -99.087
Base-Backbone interact. energy: -1.166
local terms energy: -92.742947
where:
bonds (distance) C4'-P energy: -20.186
bonds (distance) P-C4' energy: -23.253
flat angles C4'-P-C4' energy: -30.302
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -8.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -174.425048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.425048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.425048 (E_RNA)
where:
Base-Base interactions energy: -62.640
where: short stacking energy: -43.370
Base-Backbone interact. energy: -1.365
local terms energy: -110.420527
where:
bonds (distance) C4'-P energy: -37.574
bonds (distance) P-C4' energy: -30.668
flat angles C4'-P-C4' energy: -30.220
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: 0.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -213.860718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.860718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.860718 (E_RNA)
where:
Base-Base interactions energy: -106.288
where: short stacking energy: -57.198
Base-Backbone interact. energy: -0.534
local terms energy: -107.039416
where:
bonds (distance) C4'-P energy: -28.903
bonds (distance) P-C4' energy: -25.805
flat angles C4'-P-C4' energy: -30.812
flat angles P-C4'-P energy: -18.814
tors. eta vs tors. theta energy: -2.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -507.713621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.713621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.713621 (E_RNA)
where:
Base-Base interactions energy: -338.256
where: short stacking energy: -139.230
Base-Backbone interact. energy: -0.593
local terms energy: -168.865376
where:
bonds (distance) C4'-P energy: -35.756
bonds (distance) P-C4' energy: -34.005
flat angles C4'-P-C4' energy: -39.408
flat angles P-C4'-P energy: -25.839
tors. eta vs tors. theta energy: -33.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -525.415232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.415232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.415232 (E_RNA)
where:
Base-Base interactions energy: -363.394
where: short stacking energy: -145.323
Base-Backbone interact. energy: -0.751
local terms energy: -161.270137
where:
bonds (distance) C4'-P energy: -36.090
bonds (distance) P-C4' energy: -28.002
flat angles C4'-P-C4' energy: -37.833
flat angles P-C4'-P energy: -24.290
tors. eta vs tors. theta energy: -35.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -510.273741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.273741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.273741 (E_RNA)
where:
Base-Base interactions energy: -334.743
where: short stacking energy: -155.022
Base-Backbone interact. energy: -1.760
local terms energy: -173.770324
where:
bonds (distance) C4'-P energy: -30.746
bonds (distance) P-C4' energy: -36.460
flat angles C4'-P-C4' energy: -32.934
flat angles P-C4'-P energy: -25.260
tors. eta vs tors. theta energy: -48.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -475.545128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.545128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.545128 (E_RNA)
where:
Base-Base interactions energy: -317.952
where: short stacking energy: -129.989
Base-Backbone interact. energy: -1.570
local terms energy: -156.023375
where:
bonds (distance) C4'-P energy: -31.140
bonds (distance) P-C4' energy: -35.468
flat angles C4'-P-C4' energy: -33.160
flat angles P-C4'-P energy: -24.984
tors. eta vs tors. theta energy: -31.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -426.928502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.928502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.928502 (E_RNA)
where:
Base-Base interactions energy: -285.031
where: short stacking energy: -118.302
Base-Backbone interact. energy: -0.120
local terms energy: -141.777376
where:
bonds (distance) C4'-P energy: -27.488
bonds (distance) P-C4' energy: -37.819
flat angles C4'-P-C4' energy: -33.625
flat angles P-C4'-P energy: -18.926
tors. eta vs tors. theta energy: -23.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -335.409319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.409319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.409319 (E_RNA)
where:
Base-Base interactions energy: -203.730
where: short stacking energy: -100.147
Base-Backbone interact. energy: 0.740
local terms energy: -132.419063
where:
bonds (distance) C4'-P energy: -30.069
bonds (distance) P-C4' energy: -32.237
flat angles C4'-P-C4' energy: -30.407
flat angles P-C4'-P energy: -19.804
tors. eta vs tors. theta energy: -19.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -385.077868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.077868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.077868 (E_RNA)
where:
Base-Base interactions energy: -244.023
where: short stacking energy: -130.745
Base-Backbone interact. energy: -0.575
local terms energy: -140.479792
where:
bonds (distance) C4'-P energy: -29.018
bonds (distance) P-C4' energy: -33.270
flat angles C4'-P-C4' energy: -29.955
flat angles P-C4'-P energy: -20.607
tors. eta vs tors. theta energy: -27.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -258.542317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.542317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.542317 (E_RNA)
where:
Base-Base interactions energy: -128.822
where: short stacking energy: -70.999
Base-Backbone interact. energy: -0.869
local terms energy: -128.850751
where:
bonds (distance) C4'-P energy: -31.681
bonds (distance) P-C4' energy: -30.930
flat angles C4'-P-C4' energy: -36.389
flat angles P-C4'-P energy: -18.163
tors. eta vs tors. theta energy: -11.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -275.573788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.573788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.573788 (E_RNA)
where:
Base-Base interactions energy: -156.980
where: short stacking energy: -94.083
Base-Backbone interact. energy: -0.324
local terms energy: -118.269914
where:
bonds (distance) C4'-P energy: -27.646
bonds (distance) P-C4' energy: -29.669
flat angles C4'-P-C4' energy: -29.158
flat angles P-C4'-P energy: -19.202
tors. eta vs tors. theta energy: -12.594
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: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -154.089329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.089329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.089329 (E_RNA)
where:
Base-Base interactions energy: -63.420
where: short stacking energy: -57.087
Base-Backbone interact. energy: 2.414
local terms energy: -93.083387
where:
bonds (distance) C4'-P energy: -25.044
bonds (distance) P-C4' energy: -26.202
flat angles C4'-P-C4' energy: -29.526
flat angles P-C4'-P energy: -15.445
tors. eta vs tors. theta energy: 3.134
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: 9
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -522.971865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.971865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.971865 (E_RNA)
where:
Base-Base interactions energy: -360.220
where: short stacking energy: -153.397
Base-Backbone interact. energy: -0.387
local terms energy: -162.365165
where:
bonds (distance) C4'-P energy: -37.739
bonds (distance) P-C4' energy: -31.901
flat angles C4'-P-C4' energy: -33.832
flat angles P-C4'-P energy: -24.720
tors. eta vs tors. theta energy: -34.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -507.223919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.223919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.223919 (E_RNA)
where:
Base-Base interactions energy: -343.513
where: short stacking energy: -159.010
Base-Backbone interact. energy: -1.116
local terms energy: -162.594596
where:
bonds (distance) C4'-P energy: -27.382
bonds (distance) P-C4' energy: -38.371
flat angles C4'-P-C4' energy: -31.338
flat angles P-C4'-P energy: -26.482
tors. eta vs tors. theta energy: -39.020
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: 19
Temperature: 1.000000
Total energy: -510.028428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.028428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.028428 (E_RNA)
where:
Base-Base interactions energy: -352.588
where: short stacking energy: -169.742
Base-Backbone interact. energy: -0.446
local terms energy: -156.994852
where:
bonds (distance) C4'-P energy: -27.585
bonds (distance) P-C4' energy: -29.856
flat angles C4'-P-C4' energy: -33.496
flat angles P-C4'-P energy: -23.428
tors. eta vs tors. theta energy: -42.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -471.657662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.657662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.657662 (E_RNA)
where:
Base-Base interactions energy: -343.250
where: short stacking energy: -147.209
Base-Backbone interact. energy: -1.174
local terms energy: -127.233589
where:
bonds (distance) C4'-P energy: -30.905
bonds (distance) P-C4' energy: -21.065
flat angles C4'-P-C4' energy: -35.922
flat angles P-C4'-P energy: -8.107
tors. eta vs tors. theta energy: -31.234
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: 19
Temperature: 1.100000
Total energy: -418.758759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.758759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.758759 (E_RNA)
where:
Base-Base interactions energy: -280.396
where: short stacking energy: -109.816
Base-Backbone interact. energy: -0.771
local terms energy: -137.591323
where:
bonds (distance) C4'-P energy: -28.957
bonds (distance) P-C4' energy: -34.994
flat angles C4'-P-C4' energy: -30.775
flat angles P-C4'-P energy: -22.852
tors. eta vs tors. theta energy: -20.013
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: 2
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -348.023101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.023101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.023101 (E_RNA)
where:
Base-Base interactions energy: -221.816
where: short stacking energy: -113.089
Base-Backbone interact. energy: -0.301
local terms energy: -125.905869
where:
bonds (distance) C4'-P energy: -30.217
bonds (distance) P-C4' energy: -33.966
flat angles C4'-P-C4' energy: -29.241
flat angles P-C4'-P energy: -20.139
tors. eta vs tors. theta energy: -12.343
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: 7, replica: 5
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -321.346741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.346741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.346741 (E_RNA)
where:
Base-Base interactions energy: -189.156
where: short stacking energy: -99.185
Base-Backbone interact. energy: 0.694
local terms energy: -132.884856
where:
bonds (distance) C4'-P energy: -26.919
bonds (distance) P-C4' energy: -35.269
flat angles C4'-P-C4' energy: -31.277
flat angles P-C4'-P energy: -15.667
tors. eta vs tors. theta energy: -23.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -273.715639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.715639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.715639 (E_RNA)
where:
Base-Base interactions energy: -156.942
where: short stacking energy: -82.228
Base-Backbone interact. energy: -0.244
local terms energy: -116.529886
where:
bonds (distance) C4'-P energy: -35.362
bonds (distance) P-C4' energy: -23.996
flat angles C4'-P-C4' energy: -24.380
flat angles P-C4'-P energy: -17.280
tors. eta vs tors. theta energy: -15.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -246.370458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.370458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.370458 (E_RNA)
where:
Base-Base interactions energy: -126.517
where: short stacking energy: -86.153
Base-Backbone interact. energy: -0.119
local terms energy: -119.734940
where:
bonds (distance) C4'-P energy: -33.827
bonds (distance) P-C4' energy: -28.360
flat angles C4'-P-C4' energy: -23.763
flat angles P-C4'-P energy: -16.234
tors. eta vs tors. theta energy: -17.551
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: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -163.750881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.750881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.750881 (E_RNA)
where:
Base-Base interactions energy: -57.728
where: short stacking energy: -57.728
Base-Backbone interact. energy: -0.434
local terms energy: -105.588537
where:
bonds (distance) C4'-P energy: -30.320
bonds (distance) P-C4' energy: -28.496
flat angles C4'-P-C4' energy: -26.734
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -7.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -548.180546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.180546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.180546 (E_RNA)
where:
Base-Base interactions energy: -365.906
where: short stacking energy: -156.149
Base-Backbone interact. energy: -0.270
local terms energy: -182.004564
where:
bonds (distance) C4'-P energy: -34.569
bonds (distance) P-C4' energy: -41.977
flat angles C4'-P-C4' energy: -37.529
flat angles P-C4'-P energy: -26.030
tors. eta vs tors. theta energy: -41.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -512.308680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.308680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.308680 (E_RNA)
where:
Base-Base interactions energy: -350.542
where: short stacking energy: -146.654
Base-Backbone interact. energy: -0.413
local terms energy: -161.354097
where:
bonds (distance) C4'-P energy: -33.408
bonds (distance) P-C4' energy: -38.592
flat angles C4'-P-C4' energy: -33.538
flat angles P-C4'-P energy: -23.772
tors. eta vs tors. theta energy: -32.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -511.666843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.666843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.666843 (E_RNA)
where:
Base-Base interactions energy: -337.716
where: short stacking energy: -171.262
Base-Backbone interact. energy: -0.351
local terms energy: -173.600382
where:
bonds (distance) C4'-P energy: -27.057
bonds (distance) P-C4' energy: -31.415
flat angles C4'-P-C4' energy: -33.600
flat angles P-C4'-P energy: -27.996
tors. eta vs tors. theta energy: -53.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -483.848507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.848507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.848507 (E_RNA)
where:
Base-Base interactions energy: -333.762
where: short stacking energy: -137.158
Base-Backbone interact. energy: -1.042
local terms energy: -149.045042
where:
bonds (distance) C4'-P energy: -28.898
bonds (distance) P-C4' energy: -30.198
flat angles C4'-P-C4' energy: -38.399
flat angles P-C4'-P energy: -17.455
tors. eta vs tors. theta energy: -34.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -406.146180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.146180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.146180 (E_RNA)
where:
Base-Base interactions energy: -273.834
where: short stacking energy: -108.367
Base-Backbone interact. energy: 1.949
local terms energy: -134.261078
where:
bonds (distance) C4'-P energy: -30.153
bonds (distance) P-C4' energy: -35.146
flat angles C4'-P-C4' energy: -29.535
flat angles P-C4'-P energy: -18.479
tors. eta vs tors. theta energy: -20.948
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: 2
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -347.479967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.479967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.479967 (E_RNA)
where:
Base-Base interactions energy: -212.455
where: short stacking energy: -98.976
Base-Backbone interact. energy: 2.017
local terms energy: -137.042313
where:
bonds (distance) C4'-P energy: -26.861
bonds (distance) P-C4' energy: -35.530
flat angles C4'-P-C4' energy: -29.045
flat angles P-C4'-P energy: -23.357
tors. eta vs tors. theta energy: -22.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -311.033753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.033753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.033753 (E_RNA)
where:
Base-Base interactions energy: -165.519
where: short stacking energy: -94.391
Base-Backbone interact. energy: -0.136
local terms energy: -145.379136
where:
bonds (distance) C4'-P energy: -31.542
bonds (distance) P-C4' energy: -39.518
flat angles C4'-P-C4' energy: -38.091
flat angles P-C4'-P energy: -20.969
tors. eta vs tors. theta energy: -15.260
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: 5
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -359.685703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.685703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.685703 (E_RNA)
where:
Base-Base interactions energy: -233.535
where: short stacking energy: -103.648
Base-Backbone interact. energy: -0.683
local terms energy: -125.467567
where:
bonds (distance) C4'-P energy: -18.190
bonds (distance) P-C4' energy: -35.816
flat angles C4'-P-C4' energy: -30.343
flat angles P-C4'-P energy: -26.443
tors. eta vs tors. theta energy: -14.676
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: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -211.826274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.826274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.826274 (E_RNA)
where:
Base-Base interactions energy: -108.477
where: short stacking energy: -77.459
Base-Backbone interact. energy: 0.300
local terms energy: -103.648992
where:
bonds (distance) C4'-P energy: -29.637
bonds (distance) P-C4' energy: -27.691
flat angles C4'-P-C4' energy: -29.607
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -7.641
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: 7
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -217.445184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.445184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.445184 (E_RNA)
where:
Base-Base interactions energy: -118.710
where: short stacking energy: -71.966
Base-Backbone interact. energy: -0.507
local terms energy: -98.228728
where:
bonds (distance) C4'-P energy: -21.291
bonds (distance) P-C4' energy: -35.927
flat angles C4'-P-C4' energy: -23.634
flat angles P-C4'-P energy: -15.828
tors. eta vs tors. theta energy: -1.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -545.635375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.635375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.635375 (E_RNA)
where:
Base-Base interactions energy: -374.465
where: short stacking energy: -164.258
Base-Backbone interact. energy: -0.133
local terms energy: -171.037403
where:
bonds (distance) C4'-P energy: -37.810
bonds (distance) P-C4' energy: -36.357
flat angles C4'-P-C4' energy: -35.630
flat angles P-C4'-P energy: -21.692
tors. eta vs tors. theta energy: -39.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -525.749420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.749420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.749420 (E_RNA)
where:
Base-Base interactions energy: -349.258
where: short stacking energy: -165.955
Base-Backbone interact. energy: -0.493
local terms energy: -175.998699
where:
bonds (distance) C4'-P energy: -30.072
bonds (distance) P-C4' energy: -32.613
flat angles C4'-P-C4' energy: -36.583
flat angles P-C4'-P energy: -28.941
tors. eta vs tors. theta energy: -47.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -513.936151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.936151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.936151 (E_RNA)
where:
Base-Base interactions energy: -370.596
where: short stacking energy: -150.686
Base-Backbone interact. energy: -0.203
local terms energy: -143.137367
where:
bonds (distance) C4'-P energy: -28.808
bonds (distance) P-C4' energy: -31.623
flat angles C4'-P-C4' energy: -33.485
flat angles P-C4'-P energy: -13.609
tors. eta vs tors. theta energy: -35.612
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: 1
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -481.422022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.422022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.422022 (E_RNA)
where:
Base-Base interactions energy: -337.447
where: short stacking energy: -135.827
Base-Backbone interact. energy: 1.194
local terms energy: -145.168753
where:
bonds (distance) C4'-P energy: -25.692
bonds (distance) P-C4' energy: -34.323
flat angles C4'-P-C4' energy: -33.728
flat angles P-C4'-P energy: -21.048
tors. eta vs tors. theta energy: -30.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -416.419497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.419497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.419497 (E_RNA)
where:
Base-Base interactions energy: -276.462
where: short stacking energy: -124.649
Base-Backbone interact. energy: -0.337
local terms energy: -139.620523
where:
bonds (distance) C4'-P energy: -31.566
bonds (distance) P-C4' energy: -36.007
flat angles C4'-P-C4' energy: -27.753
flat angles P-C4'-P energy: -19.612
tors. eta vs tors. theta energy: -24.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -360.201989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.201989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.201989 (E_RNA)
where:
Base-Base interactions energy: -212.192
where: short stacking energy: -123.035
Base-Backbone interact. energy: -0.214
local terms energy: -147.795421
where:
bonds (distance) C4'-P energy: -31.883
bonds (distance) P-C4' energy: -36.931
flat angles C4'-P-C4' energy: -29.954
flat angles P-C4'-P energy: -17.248
tors. eta vs tors. theta energy: -31.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -341.226284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.226284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.226284 (E_RNA)
where:
Base-Base interactions energy: -218.137
where: short stacking energy: -105.969
Base-Backbone interact. energy: 0.038
local terms energy: -123.127617
where:
bonds (distance) C4'-P energy: -22.815
bonds (distance) P-C4' energy: -35.409
flat angles C4'-P-C4' energy: -27.199
flat angles P-C4'-P energy: -19.685
tors. eta vs tors. theta energy: -18.020
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: 5
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -341.086557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.086557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.086557 (E_RNA)
where:
Base-Base interactions energy: -208.177
where: short stacking energy: -93.884
Base-Backbone interact. energy: -0.281
local terms energy: -132.628130
where:
bonds (distance) C4'-P energy: -37.478
bonds (distance) P-C4' energy: -22.536
flat angles C4'-P-C4' energy: -32.151
flat angles P-C4'-P energy: -20.722
tors. eta vs tors. theta energy: -19.741
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: 21
Temperature: 1.300000
Total energy: -218.424983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.424983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.424983 (E_RNA)
where:
Base-Base interactions energy: -116.181
where: short stacking energy: -68.660
Base-Backbone interact. energy: 1.131
local terms energy: -103.375305
where:
bonds (distance) C4'-P energy: -28.899
bonds (distance) P-C4' energy: -29.339
flat angles C4'-P-C4' energy: -27.724
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -3.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -248.624909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.624909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.624909 (E_RNA)
where:
Base-Base interactions energy: -137.083
where: short stacking energy: -68.153
Base-Backbone interact. energy: 0.216
local terms energy: -111.757937
where:
bonds (distance) C4'-P energy: -33.201
bonds (distance) P-C4' energy: -27.247
flat angles C4'-P-C4' energy: -22.128
flat angles P-C4'-P energy: -26.291
tors. eta vs tors. theta energy: -2.890
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: 8
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -531.010574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.010574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.010574 (E_RNA)
where:
Base-Base interactions energy: -356.595
where: short stacking energy: -165.775
Base-Backbone interact. energy: -0.548
local terms energy: -173.867623
where:
bonds (distance) C4'-P energy: -36.001
bonds (distance) P-C4' energy: -32.086
flat angles C4'-P-C4' energy: -39.272
flat angles P-C4'-P energy: -24.206
tors. eta vs tors. theta energy: -42.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -519.983922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.983922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.983922 (E_RNA)
where:
Base-Base interactions energy: -361.639
where: short stacking energy: -159.172
Base-Backbone interact. energy: -0.672
local terms energy: -157.672783
where:
bonds (distance) C4'-P energy: -26.730
bonds (distance) P-C4' energy: -36.184
flat angles C4'-P-C4' energy: -36.144
flat angles P-C4'-P energy: -18.239
tors. eta vs tors. theta energy: -40.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -507.507145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.507145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.507145 (E_RNA)
where:
Base-Base interactions energy: -342.563
where: short stacking energy: -151.508
Base-Backbone interact. energy: -1.069
local terms energy: -163.875060
where:
bonds (distance) C4'-P energy: -29.418
bonds (distance) P-C4' energy: -39.291
flat angles C4'-P-C4' energy: -35.011
flat angles P-C4'-P energy: -28.039
tors. eta vs tors. theta energy: -32.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -497.059872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.059872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.059872 (E_RNA)
where:
Base-Base interactions energy: -340.005
where: short stacking energy: -135.395
Base-Backbone interact. energy: 2.635
local terms energy: -159.690392
where:
bonds (distance) C4'-P energy: -33.332
bonds (distance) P-C4' energy: -35.608
flat angles C4'-P-C4' energy: -36.198
flat angles P-C4'-P energy: -21.684
tors. eta vs tors. theta energy: -32.868
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: 5, replica: 4
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -452.428574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.428574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.428574 (E_RNA)
where:
Base-Base interactions energy: -295.285
where: short stacking energy: -112.378
Base-Backbone interact. energy: -1.235
local terms energy: -155.908586
where:
bonds (distance) C4'-P energy: -31.129
bonds (distance) P-C4' energy: -36.550
flat angles C4'-P-C4' energy: -34.233
flat angles P-C4'-P energy: -27.464
tors. eta vs tors. theta energy: -26.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -323.835599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.835599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.835599 (E_RNA)
where:
Base-Base interactions energy: -191.593
where: short stacking energy: -103.904
Base-Backbone interact. energy: -0.449
local terms energy: -131.793779
where:
bonds (distance) C4'-P energy: -28.822
bonds (distance) P-C4' energy: -35.829
flat angles C4'-P-C4' energy: -32.228
flat angles P-C4'-P energy: -14.157
tors. eta vs tors. theta energy: -20.757
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: 2
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -316.738043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.738043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.738043 (E_RNA)
where:
Base-Base interactions energy: -188.564
where: short stacking energy: -82.898
Base-Backbone interact. energy: 0.830
local terms energy: -129.003465
where:
bonds (distance) C4'-P energy: -34.095
bonds (distance) P-C4' energy: -35.672
flat angles C4'-P-C4' energy: -33.920
flat angles P-C4'-P energy: -15.202
tors. eta vs tors. theta energy: -10.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -355.432666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.432666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.432666 (E_RNA)
where:
Base-Base interactions energy: -220.270
where: short stacking energy: -93.442
Base-Backbone interact. energy: -0.765
local terms energy: -134.397496
where:
bonds (distance) C4'-P energy: -36.429
bonds (distance) P-C4' energy: -33.896
flat angles C4'-P-C4' energy: -20.498
flat angles P-C4'-P energy: -25.448
tors. eta vs tors. theta energy: -18.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -216.534224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.534224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.534224 (E_RNA)
where:
Base-Base interactions energy: -101.588
where: short stacking energy: -55.263
Base-Backbone interact. energy: 0.265
local terms energy: -115.211196
where:
bonds (distance) C4'-P energy: -23.636
bonds (distance) P-C4' energy: -38.739
flat angles C4'-P-C4' energy: -33.747
flat angles P-C4'-P energy: -17.193
tors. eta vs tors. theta energy: -1.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -211.923251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.923251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.923251 (E_RNA)
where:
Base-Base interactions energy: -104.240
where: short stacking energy: -60.201
Base-Backbone interact. energy: 0.539
local terms energy: -108.222088
where:
bonds (distance) C4'-P energy: -24.706
bonds (distance) P-C4' energy: -33.900
flat angles C4'-P-C4' energy: -27.373
flat angles P-C4'-P energy: -16.834
tors. eta vs tors. theta energy: -5.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -541.103317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.103317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.103317 (E_RNA)
where:
Base-Base interactions energy: -358.136
where: short stacking energy: -173.324
Base-Backbone interact. energy: -0.587
local terms energy: -182.380577
where:
bonds (distance) C4'-P energy: -35.831
bonds (distance) P-C4' energy: -38.218
flat angles C4'-P-C4' energy: -33.532
flat angles P-C4'-P energy: -28.955
tors. eta vs tors. theta energy: -45.843
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: 9
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -516.103970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.103970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.103970 (E_RNA)
where:
Base-Base interactions energy: -349.629
where: short stacking energy: -150.094
Base-Backbone interact. energy: -0.734
local terms energy: -165.740889
where:
bonds (distance) C4'-P energy: -32.862
bonds (distance) P-C4' energy: -36.856
flat angles C4'-P-C4' energy: -37.099
flat angles P-C4'-P energy: -20.240
tors. eta vs tors. theta energy: -38.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -503.901233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.901233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.901233 (E_RNA)
where:
Base-Base interactions energy: -345.353
where: short stacking energy: -146.496
Base-Backbone interact. energy: -1.156
local terms energy: -157.392238
where:
bonds (distance) C4'-P energy: -33.797
bonds (distance) P-C4' energy: -39.986
flat angles C4'-P-C4' energy: -29.691
flat angles P-C4'-P energy: -24.500
tors. eta vs tors. theta energy: -29.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -465.321734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.321734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.321734 (E_RNA)
where:
Base-Base interactions energy: -310.963
where: short stacking energy: -138.141
Base-Backbone interact. energy: 2.168
local terms energy: -156.526306
where:
bonds (distance) C4'-P energy: -34.629
bonds (distance) P-C4' energy: -36.699
flat angles C4'-P-C4' energy: -37.859
flat angles P-C4'-P energy: -14.244
tors. eta vs tors. theta energy: -33.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -458.538992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.538992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.538992 (E_RNA)
where:
Base-Base interactions energy: -304.869
where: short stacking energy: -141.672
Base-Backbone interact. energy: -1.110
local terms energy: -152.559259
where:
bonds (distance) C4'-P energy: -29.885
bonds (distance) P-C4' energy: -37.251
flat angles C4'-P-C4' energy: -24.572
flat angles P-C4'-P energy: -27.018
tors. eta vs tors. theta energy: -33.833
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: 2
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -334.864709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.864709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.864709 (E_RNA)
where:
Base-Base interactions energy: -212.489
where: short stacking energy: -113.284
Base-Backbone interact. energy: -0.716
local terms energy: -121.659213
where:
bonds (distance) C4'-P energy: -27.627
bonds (distance) P-C4' energy: -28.464
flat angles C4'-P-C4' energy: -30.394
flat angles P-C4'-P energy: -19.782
tors. eta vs tors. theta energy: -15.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -324.201214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.201214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.201214 (E_RNA)
where:
Base-Base interactions energy: -198.806
where: short stacking energy: -91.186
Base-Backbone interact. energy: -0.935
local terms energy: -124.461145
where:
bonds (distance) C4'-P energy: -30.215
bonds (distance) P-C4' energy: -26.782
flat angles C4'-P-C4' energy: -29.438
flat angles P-C4'-P energy: -22.153
tors. eta vs tors. theta energy: -15.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -358.865336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.865336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.865336 (E_RNA)
where:
Base-Base interactions energy: -234.690
where: short stacking energy: -119.633
Base-Backbone interact. energy: -0.531
local terms energy: -123.644336
where:
bonds (distance) C4'-P energy: -28.663
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -34.232
flat angles P-C4'-P energy: -22.593
tors. eta vs tors. theta energy: -22.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -241.881975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.881975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.881975 (E_RNA)
where:
Base-Base interactions energy: -118.379
where: short stacking energy: -73.049
Base-Backbone interact. energy: 0.022
local terms energy: -123.524538
where:
bonds (distance) C4'-P energy: -35.816
bonds (distance) P-C4' energy: -38.348
flat angles C4'-P-C4' energy: -30.420
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -7.625
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: 10
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -234.871800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.871800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.871800 (E_RNA)
where:
Base-Base interactions energy: -126.590
where: short stacking energy: -71.967
Base-Backbone interact. energy: -0.314
local terms energy: -107.968257
where:
bonds (distance) C4'-P energy: -26.881
bonds (distance) P-C4' energy: -32.942
flat angles C4'-P-C4' energy: -23.865
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -10.851
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: 9
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -537.813527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.813527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.813527 (E_RNA)
where:
Base-Base interactions energy: -353.923
where: short stacking energy: -164.706
Base-Backbone interact. energy: -0.954
local terms energy: -182.935966
where:
bonds (distance) C4'-P energy: -31.473
bonds (distance) P-C4' energy: -38.603
flat angles C4'-P-C4' energy: -37.553
flat angles P-C4'-P energy: -27.323
tors. eta vs tors. theta energy: -47.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -536.081946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.081946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.081946 (E_RNA)
where:
Base-Base interactions energy: -355.719
where: short stacking energy: -159.126
Base-Backbone interact. energy: -0.605
local terms energy: -179.757784
where:
bonds (distance) C4'-P energy: -37.098
bonds (distance) P-C4' energy: -38.622
flat angles C4'-P-C4' energy: -34.528
flat angles P-C4'-P energy: -28.021
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: 3, replica: 3
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -513.232679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.232679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.232679 (E_RNA)
where:
Base-Base interactions energy: -344.441
where: short stacking energy: -161.581
Base-Backbone interact. energy: 0.731
local terms energy: -169.522568
where:
bonds (distance) C4'-P energy: -33.840
bonds (distance) P-C4' energy: -35.508
flat angles C4'-P-C4' energy: -35.228
flat angles P-C4'-P energy: -28.452
tors. eta vs tors. theta energy: -36.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -457.320371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.320371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.320371 (E_RNA)
where:
Base-Base interactions energy: -298.770
where: short stacking energy: -148.615
Base-Backbone interact. energy: -1.559
local terms energy: -156.991133
where:
bonds (distance) C4'-P energy: -31.789
bonds (distance) P-C4' energy: -32.679
flat angles C4'-P-C4' energy: -40.608
flat angles P-C4'-P energy: -16.909
tors. eta vs tors. theta energy: -35.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -490.885779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.885779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.885779 (E_RNA)
where:
Base-Base interactions energy: -346.081
where: short stacking energy: -127.622
Base-Backbone interact. energy: 2.999
local terms energy: -147.803822
where:
bonds (distance) C4'-P energy: -35.492
bonds (distance) P-C4' energy: -28.832
flat angles C4'-P-C4' energy: -31.701
flat angles P-C4'-P energy: -18.091
tors. eta vs tors. theta energy: -33.688
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: 2
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -351.426002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.426002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.426002 (E_RNA)
where:
Base-Base interactions energy: -212.154
where: short stacking energy: -109.941
Base-Backbone interact. energy: -0.558
local terms energy: -138.713875
where:
bonds (distance) C4'-P energy: -36.099
bonds (distance) P-C4' energy: -27.286
flat angles C4'-P-C4' energy: -29.907
flat angles P-C4'-P energy: -21.741
tors. eta vs tors. theta energy: -23.681
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: 5
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -370.340057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.340057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.340057 (E_RNA)
where:
Base-Base interactions energy: -259.090
where: short stacking energy: -125.647
Base-Backbone interact. energy: 0.506
local terms energy: -111.756796
where:
bonds (distance) C4'-P energy: -29.680
bonds (distance) P-C4' energy: -29.085
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -22.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -291.408979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.408979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.408979 (E_RNA)
where:
Base-Base interactions energy: -166.216
where: short stacking energy: -88.573
Base-Backbone interact. energy: -0.175
local terms energy: -125.018328
where:
bonds (distance) C4'-P energy: -32.112
bonds (distance) P-C4' energy: -32.313
flat angles C4'-P-C4' energy: -34.504
flat angles P-C4'-P energy: -9.527
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: 9, replica: 10
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -256.154111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.154111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.154111 (E_RNA)
where:
Base-Base interactions energy: -141.622
where: short stacking energy: -89.499
Base-Backbone interact. energy: -0.215
local terms energy: -114.316973
where:
bonds (distance) C4'-P energy: -32.856
bonds (distance) P-C4' energy: -23.781
flat angles C4'-P-C4' energy: -29.855
flat angles P-C4'-P energy: -18.880
tors. eta vs tors. theta energy: -8.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -211.292595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.292595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.292595 (E_RNA)
where:
Base-Base interactions energy: -102.730
where: short stacking energy: -57.933
Base-Backbone interact. energy: 0.418
local terms energy: -108.980880
where:
bonds (distance) C4'-P energy: -25.540
bonds (distance) P-C4' energy: -33.987
flat angles C4'-P-C4' energy: -30.949
flat angles P-C4'-P energy: -17.609
tors. eta vs tors. theta energy: -0.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -550.140223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.140223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.140223 (E_RNA)
where:
Base-Base interactions energy: -379.946
where: short stacking energy: -162.451
Base-Backbone interact. energy: 0.453
local terms energy: -170.647805
where:
bonds (distance) C4'-P energy: -37.937
bonds (distance) P-C4' energy: -29.462
flat angles C4'-P-C4' energy: -32.122
flat angles P-C4'-P energy: -26.898
tors. eta vs tors. theta energy: -44.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -531.411115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.411115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.411115 (E_RNA)
where:
Base-Base interactions energy: -351.857
where: short stacking energy: -168.520
Base-Backbone interact. energy: -1.149
local terms energy: -178.405102
where:
bonds (distance) C4'-P energy: -32.813
bonds (distance) P-C4' energy: -34.495
flat angles C4'-P-C4' energy: -37.367
flat angles P-C4'-P energy: -27.751
tors. eta vs tors. theta energy: -45.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -492.172628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.172628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.172628 (E_RNA)
where:
Base-Base interactions energy: -327.651
where: short stacking energy: -157.899
Base-Backbone interact. energy: -0.146
local terms energy: -164.375073
where:
bonds (distance) C4'-P energy: -33.007
bonds (distance) P-C4' energy: -32.279
flat angles C4'-P-C4' energy: -37.941
flat angles P-C4'-P energy: -21.183
tors. eta vs tors. theta energy: -39.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -515.844008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.844008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.844008 (E_RNA)
where:
Base-Base interactions energy: -356.323
where: short stacking energy: -143.197
Base-Backbone interact. energy: -2.532
local terms energy: -156.989181
where:
bonds (distance) C4'-P energy: -32.141
bonds (distance) P-C4' energy: -33.138
flat angles C4'-P-C4' energy: -38.145
flat angles P-C4'-P energy: -25.436
tors. eta vs tors. theta energy: -28.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -438.648290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.648290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.648290 (E_RNA)
where:
Base-Base interactions energy: -293.801
where: short stacking energy: -130.744
Base-Backbone interact. energy: -1.092
local terms energy: -143.754909
where:
bonds (distance) C4'-P energy: -34.618
bonds (distance) P-C4' energy: -34.479
flat angles C4'-P-C4' energy: -29.162
flat angles P-C4'-P energy: -21.769
tors. eta vs tors. theta energy: -23.728
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: 5
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -391.213172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.213172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.213172 (E_RNA)
where:
Base-Base interactions energy: -249.599
where: short stacking energy: -122.366
Base-Backbone interact. energy: -0.189
local terms energy: -141.425612
where:
bonds (distance) C4'-P energy: -29.802
bonds (distance) P-C4' energy: -27.194
flat angles C4'-P-C4' energy: -32.420
flat angles P-C4'-P energy: -24.523
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: 7, replica: 2
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -326.275975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.275975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.275975 (E_RNA)
where:
Base-Base interactions energy: -198.988
where: short stacking energy: -118.128
Base-Backbone interact. energy: -0.272
local terms energy: -127.015620
where:
bonds (distance) C4'-P energy: -22.691
bonds (distance) P-C4' energy: -21.369
flat angles C4'-P-C4' energy: -33.756
flat angles P-C4'-P energy: -21.970
tors. eta vs tors. theta energy: -27.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -277.728671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.728671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.728671 (E_RNA)
where:
Base-Base interactions energy: -163.485
where: short stacking energy: -88.145
Base-Backbone interact. energy: -1.633
local terms energy: -112.610854
where:
bonds (distance) C4'-P energy: -25.203
bonds (distance) P-C4' energy: -29.389
flat angles C4'-P-C4' energy: -33.039
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -14.588
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: 10
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -246.573413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.573413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.573413 (E_RNA)
where:
Base-Base interactions energy: -145.865
where: short stacking energy: -60.260
Base-Backbone interact. energy: 0.287
local terms energy: -100.995203
where:
bonds (distance) C4'-P energy: -26.964
bonds (distance) P-C4' energy: -33.515
flat angles C4'-P-C4' energy: -30.753
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: 2.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -220.418136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.418136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.418136 (E_RNA)
where:
Base-Base interactions energy: -117.559
where: short stacking energy: -80.820
Base-Backbone interact. energy: -0.555
local terms energy: -102.303415
where:
bonds (distance) C4'-P energy: -24.818
bonds (distance) P-C4' energy: -28.237
flat angles C4'-P-C4' energy: -28.468
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -8.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -559.585793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.585793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.585793 (E_RNA)
where:
Base-Base interactions energy: -380.002
where: short stacking energy: -167.827
Base-Backbone interact. energy: 0.238
local terms energy: -179.821813
where:
bonds (distance) C4'-P energy: -30.806
bonds (distance) P-C4' energy: -37.520
flat angles C4'-P-C4' energy: -36.387
flat angles P-C4'-P energy: -28.772
tors. eta vs tors. theta energy: -46.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -548.960838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.960838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.960838 (E_RNA)
where:
Base-Base interactions energy: -363.053
where: short stacking energy: -162.613
Base-Backbone interact. energy: -0.446
local terms energy: -185.461246
where:
bonds (distance) C4'-P energy: -36.145
bonds (distance) P-C4' energy: -34.769
flat angles C4'-P-C4' energy: -37.997
flat angles P-C4'-P energy: -29.633
tors. eta vs tors. theta energy: -46.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -517.905853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.905853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.905853 (E_RNA)
where:
Base-Base interactions energy: -375.035
where: short stacking energy: -145.503
Base-Backbone interact. energy: -0.509
local terms energy: -142.361971
where:
bonds (distance) C4'-P energy: -31.967
bonds (distance) P-C4' energy: -38.315
flat angles C4'-P-C4' energy: -29.762
flat angles P-C4'-P energy: -14.348
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: 8
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -480.343287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.343287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.343287 (E_RNA)
where:
Base-Base interactions energy: -313.568
where: short stacking energy: -131.283
Base-Backbone interact. energy: -1.849
local terms energy: -164.925687
where:
bonds (distance) C4'-P energy: -31.278
bonds (distance) P-C4' energy: -35.014
flat angles C4'-P-C4' energy: -35.766
flat angles P-C4'-P energy: -23.765
tors. eta vs tors. theta energy: -39.103
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: 4
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -427.867604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.867604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.867604 (E_RNA)
where:
Base-Base interactions energy: -295.146
where: short stacking energy: -119.174
Base-Backbone interact. energy: -0.555
local terms energy: -132.166159
where:
bonds (distance) C4'-P energy: -28.888
bonds (distance) P-C4' energy: -36.708
flat angles C4'-P-C4' energy: -27.798
flat angles P-C4'-P energy: -18.840
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: 6, replica: 5
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -362.230948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.230948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.230948 (E_RNA)
where:
Base-Base interactions energy: -228.267
where: short stacking energy: -106.418
Base-Backbone interact. energy: 1.151
local terms energy: -135.115168
where:
bonds (distance) C4'-P energy: -29.380
bonds (distance) P-C4' energy: -32.631
flat angles C4'-P-C4' energy: -35.183
flat angles P-C4'-P energy: -20.414
tors. eta vs tors. theta energy: -17.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -337.567821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.567821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.567821 (E_RNA)
where:
Base-Base interactions energy: -198.623
where: short stacking energy: -112.976
Base-Backbone interact. energy: -0.540
local terms energy: -138.405044
where:
bonds (distance) C4'-P energy: -26.360
bonds (distance) P-C4' energy: -29.787
flat angles C4'-P-C4' energy: -35.352
flat angles P-C4'-P energy: -21.144
tors. eta vs tors. theta energy: -25.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -286.001981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.001981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.001981 (E_RNA)
where:
Base-Base interactions energy: -153.491
where: short stacking energy: -93.900
Base-Backbone interact. energy: -0.724
local terms energy: -131.786467
where:
bonds (distance) C4'-P energy: -28.843
bonds (distance) P-C4' energy: -33.852
flat angles C4'-P-C4' energy: -35.335
flat angles P-C4'-P energy: -17.980
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: 9, replica: 10
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -240.976867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.976867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.976867 (E_RNA)
where:
Base-Base interactions energy: -135.259
where: short stacking energy: -87.353
Base-Backbone interact. energy: 2.011
local terms energy: -107.728876
where:
bonds (distance) C4'-P energy: -24.564
bonds (distance) P-C4' energy: -33.097
flat angles C4'-P-C4' energy: -34.727
flat angles P-C4'-P energy: -4.533
tors. eta vs tors. theta energy: -10.808
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: 7
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -183.976043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.976043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.976043 (E_RNA)
where:
Base-Base interactions energy: -89.886
where: short stacking energy: -59.457
Base-Backbone interact. energy: 3.014
local terms energy: -97.104635
where:
bonds (distance) C4'-P energy: -27.316
bonds (distance) P-C4' energy: -32.034
flat angles C4'-P-C4' energy: -18.752
flat angles P-C4'-P energy: -18.077
tors. eta vs tors. theta energy: -0.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -568.109739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.109739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.109739 (E_RNA)
where:
Base-Base interactions energy: -378.146
where: short stacking energy: -176.124
Base-Backbone interact. energy: -1.194
local terms energy: -188.770386
where:
bonds (distance) C4'-P energy: -39.073
bonds (distance) P-C4' energy: -32.457
flat angles C4'-P-C4' energy: -41.951
flat angles P-C4'-P energy: -28.830
tors. eta vs tors. theta energy: -46.459
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: 2, replica: 9
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -530.774501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.774501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.774501 (E_RNA)
where:
Base-Base interactions energy: -362.569
where: short stacking energy: -171.225
Base-Backbone interact. energy: 0.773
local terms energy: -168.978396
where:
bonds (distance) C4'-P energy: -29.021
bonds (distance) P-C4' energy: -35.758
flat angles C4'-P-C4' energy: -39.417
flat angles P-C4'-P energy: -22.585
tors. eta vs tors. theta energy: -42.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -495.760498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.760498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.760498 (E_RNA)
where:
Base-Base interactions energy: -351.064
where: short stacking energy: -124.932
Base-Backbone interact. energy: -0.514
local terms energy: -144.183112
where:
bonds (distance) C4'-P energy: -30.494
bonds (distance) P-C4' energy: -33.498
flat angles C4'-P-C4' energy: -31.530
flat angles P-C4'-P energy: -22.115
tors. eta vs tors. theta energy: -26.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -495.227009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.227009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.227009 (E_RNA)
where:
Base-Base interactions energy: -320.080
where: short stacking energy: -160.923
Base-Backbone interact. energy: -1.099
local terms energy: -174.047639
where:
bonds (distance) C4'-P energy: -33.172
bonds (distance) P-C4' energy: -30.522
flat angles C4'-P-C4' energy: -41.196
flat angles P-C4'-P energy: -27.164
tors. eta vs tors. theta energy: -41.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -421.129315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.129315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.129315 (E_RNA)
where:
Base-Base interactions energy: -282.237
where: short stacking energy: -136.095
Base-Backbone interact. energy: -0.503
local terms energy: -138.389233
where:
bonds (distance) C4'-P energy: -24.144
bonds (distance) P-C4' energy: -33.791
flat angles C4'-P-C4' energy: -32.594
flat angles P-C4'-P energy: -20.588
tors. eta vs tors. theta energy: -27.273
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: 5
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -379.614485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.614485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.614485 (E_RNA)
where:
Base-Base interactions energy: -248.345
where: short stacking energy: -121.266
Base-Backbone interact. energy: -0.332
local terms energy: -130.936862
where:
bonds (distance) C4'-P energy: -31.037
bonds (distance) P-C4' energy: -28.383
flat angles C4'-P-C4' energy: -33.600
flat angles P-C4'-P energy: -15.013
tors. eta vs tors. theta energy: -22.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -370.560844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.560844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.560844 (E_RNA)
where:
Base-Base interactions energy: -241.631
where: short stacking energy: -111.913
Base-Backbone interact. energy: 1.953
local terms energy: -130.882432
where:
bonds (distance) C4'-P energy: -23.556
bonds (distance) P-C4' energy: -29.067
flat angles C4'-P-C4' energy: -32.289
flat angles P-C4'-P energy: -21.046
tors. eta vs tors. theta energy: -24.924
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: 6
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -320.990819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.990819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.990819 (E_RNA)
where:
Base-Base interactions energy: -186.758
where: short stacking energy: -110.450
Base-Backbone interact. energy: -0.596
local terms energy: -133.636232
where:
bonds (distance) C4'-P energy: -27.021
bonds (distance) P-C4' energy: -23.360
flat angles C4'-P-C4' energy: -34.744
flat angles P-C4'-P energy: -23.940
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: 9, replica: 10
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -230.462952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.462952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.462952 (E_RNA)
where:
Base-Base interactions energy: -117.581
where: short stacking energy: -74.927
Base-Backbone interact. energy: 0.972
local terms energy: -113.854553
where:
bonds (distance) C4'-P energy: -26.912
bonds (distance) P-C4' energy: -25.973
flat angles C4'-P-C4' energy: -28.647
flat angles P-C4'-P energy: -20.509
tors. eta vs tors. theta energy: -11.813
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: 7
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -171.993400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.993400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.993400 (E_RNA)
where:
Base-Base interactions energy: -69.981
where: short stacking energy: -53.640
Base-Backbone interact. energy: -0.485
local terms energy: -101.526939
where:
bonds (distance) C4'-P energy: -29.485
bonds (distance) P-C4' energy: -32.868
flat angles C4'-P-C4' energy: -20.005
flat angles P-C4'-P energy: -17.412
tors. eta vs tors. theta energy: -1.757
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: 1, replica: 9
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -555.027724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.027724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.027724 (E_RNA)
where:
Base-Base interactions energy: -377.948
where: short stacking energy: -152.337
Base-Backbone interact. energy: -0.557
local terms energy: -176.522926
where:
bonds (distance) C4'-P energy: -37.301
bonds (distance) P-C4' energy: -34.668
flat angles C4'-P-C4' energy: -36.124
flat angles P-C4'-P energy: -23.671
tors. eta vs tors. theta energy: -44.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -553.096091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.096091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.096091 (E_RNA)
where:
Base-Base interactions energy: -388.650
where: short stacking energy: -169.742
Base-Backbone interact. energy: -0.171
local terms energy: -164.274951
where:
bonds (distance) C4'-P energy: -31.186
bonds (distance) P-C4' energy: -25.138
flat angles C4'-P-C4' energy: -34.532
flat angles P-C4'-P energy: -21.295
tors. eta vs tors. theta energy: -52.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -521.194699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.194699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.194699 (E_RNA)
where:
Base-Base interactions energy: -380.955
where: short stacking energy: -155.381
Base-Backbone interact. energy: -0.478
local terms energy: -139.762442
where:
bonds (distance) C4'-P energy: -30.650
bonds (distance) P-C4' energy: -29.342
flat angles C4'-P-C4' energy: -30.458
flat angles P-C4'-P energy: -20.973
tors. eta vs tors. theta energy: -28.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -508.477080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.477080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.477080 (E_RNA)
where:
Base-Base interactions energy: -338.336
where: short stacking energy: -158.709
Base-Backbone interact. energy: -0.640
local terms energy: -169.501556
where:
bonds (distance) C4'-P energy: -28.149
bonds (distance) P-C4' energy: -34.770
flat angles C4'-P-C4' energy: -38.609
flat angles P-C4'-P energy: -28.536
tors. eta vs tors. theta energy: -39.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -425.286823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.286823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.286823 (E_RNA)
where:
Base-Base interactions energy: -296.131
where: short stacking energy: -111.757
Base-Backbone interact. energy: -0.559
local terms energy: -128.596651
where:
bonds (distance) C4'-P energy: -34.679
bonds (distance) P-C4' energy: -35.358
flat angles C4'-P-C4' energy: -31.008
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: -14.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -393.781166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.781166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.781166 (E_RNA)
where:
Base-Base interactions energy: -249.755
where: short stacking energy: -127.234
Base-Backbone interact. energy: 0.143
local terms energy: -144.168985
where:
bonds (distance) C4'-P energy: -27.402
bonds (distance) P-C4' energy: -26.569
flat angles C4'-P-C4' energy: -32.025
flat angles P-C4'-P energy: -27.633
tors. eta vs tors. theta energy: -30.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -386.864883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.864883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.864883 (E_RNA)
where:
Base-Base interactions energy: -249.154
where: short stacking energy: -112.437
Base-Backbone interact. energy: -0.720
local terms energy: -136.991060
where:
bonds (distance) C4'-P energy: -33.852
bonds (distance) P-C4' energy: -29.414
flat angles C4'-P-C4' energy: -33.928
flat angles P-C4'-P energy: -16.073
tors. eta vs tors. theta energy: -23.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -273.166232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.166232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.166232 (E_RNA)
where:
Base-Base interactions energy: -166.960
where: short stacking energy: -84.811
Base-Backbone interact. energy: -0.654
local terms energy: -105.552317
where:
bonds (distance) C4'-P energy: -29.663
bonds (distance) P-C4' energy: -34.194
flat angles C4'-P-C4' energy: -27.996
flat angles P-C4'-P energy: 0.819
tors. eta vs tors. theta energy: -14.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -186.588953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.588953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.588953 (E_RNA)
where:
Base-Base interactions energy: -63.608
where: short stacking energy: -49.236
Base-Backbone interact. energy: -0.351
local terms energy: -122.629794
where:
bonds (distance) C4'-P energy: -30.894
bonds (distance) P-C4' energy: -33.213
flat angles C4'-P-C4' energy: -33.552
flat angles P-C4'-P energy: -23.495
tors. eta vs tors. theta energy: -1.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -231.420616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.420616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.420616 (E_RNA)
where:
Base-Base interactions energy: -138.088
where: short stacking energy: -74.504
Base-Backbone interact. energy: 3.596
local terms energy: -96.928024
where:
bonds (distance) C4'-P energy: -22.391
bonds (distance) P-C4' energy: -32.212
flat angles C4'-P-C4' energy: -29.404
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -0.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -555.147128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.147128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.147128 (E_RNA)
where:
Base-Base interactions energy: -372.441
where: short stacking energy: -154.755
Base-Backbone interact. energy: -0.561
local terms energy: -182.145530
where:
bonds (distance) C4'-P energy: -36.816
bonds (distance) P-C4' energy: -35.538
flat angles C4'-P-C4' energy: -38.792
flat angles P-C4'-P energy: -29.109
tors. eta vs tors. theta energy: -41.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -554.491179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.491179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.491179 (E_RNA)
where:
Base-Base interactions energy: -379.912
where: short stacking energy: -163.403
Base-Backbone interact. energy: -0.456
local terms energy: -174.123184
where:
bonds (distance) C4'-P energy: -30.324
bonds (distance) P-C4' energy: -32.009
flat angles C4'-P-C4' energy: -39.136
flat angles P-C4'-P energy: -25.862
tors. eta vs tors. theta energy: -46.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -519.648790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.648790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.648790 (E_RNA)
where:
Base-Base interactions energy: -363.923
where: short stacking energy: -151.046
Base-Backbone interact. energy: -0.918
local terms energy: -154.808121
where:
bonds (distance) C4'-P energy: -29.449
bonds (distance) P-C4' energy: -37.562
flat angles C4'-P-C4' energy: -30.852
flat angles P-C4'-P energy: -21.556
tors. eta vs tors. theta energy: -35.388
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: 8
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -516.560414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.560414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.560414 (E_RNA)
where:
Base-Base interactions energy: -347.758
where: short stacking energy: -168.517
Base-Backbone interact. energy: -0.867
local terms energy: -167.935927
where:
bonds (distance) C4'-P energy: -32.956
bonds (distance) P-C4' energy: -27.793
flat angles C4'-P-C4' energy: -40.090
flat angles P-C4'-P energy: -20.068
tors. eta vs tors. theta energy: -47.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -425.885326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.885326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.885326 (E_RNA)
where:
Base-Base interactions energy: -276.734
where: short stacking energy: -119.512
Base-Backbone interact. energy: -1.247
local terms energy: -147.904728
where:
bonds (distance) C4'-P energy: -33.496
bonds (distance) P-C4' energy: -35.916
flat angles C4'-P-C4' energy: -36.881
flat angles P-C4'-P energy: -19.784
tors. eta vs tors. theta energy: -21.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -423.602854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.602854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.602854 (E_RNA)
where:
Base-Base interactions energy: -274.721
where: short stacking energy: -122.722
Base-Backbone interact. energy: 1.659
local terms energy: -150.541699
where:
bonds (distance) C4'-P energy: -27.659
bonds (distance) P-C4' energy: -33.336
flat angles C4'-P-C4' energy: -34.013
flat angles P-C4'-P energy: -26.095
tors. eta vs tors. theta energy: -29.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -372.899927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.899927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.899927 (E_RNA)
where:
Base-Base interactions energy: -225.635
where: short stacking energy: -120.026
Base-Backbone interact. energy: 0.258
local terms energy: -147.523306
where:
bonds (distance) C4'-P energy: -28.427
bonds (distance) P-C4' energy: -33.383
flat angles C4'-P-C4' energy: -36.303
flat angles P-C4'-P energy: -22.672
tors. eta vs tors. theta energy: -26.738
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: 6
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -289.638023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.638023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.638023 (E_RNA)
where:
Base-Base interactions energy: -176.434
where: short stacking energy: -90.813
Base-Backbone interact. energy: -0.267
local terms energy: -112.937038
where:
bonds (distance) C4'-P energy: -31.780
bonds (distance) P-C4' energy: -28.898
flat angles C4'-P-C4' energy: -25.726
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -13.705
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: 7
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -182.356318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.356318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.356318 (E_RNA)
where:
Base-Base interactions energy: -74.388
where: short stacking energy: -69.060
Base-Backbone interact. energy: -0.406
local terms energy: -107.563021
where:
bonds (distance) C4'-P energy: -31.769
bonds (distance) P-C4' energy: -32.292
flat angles C4'-P-C4' energy: -22.831
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -6.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -217.048856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.048856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.048856 (E_RNA)
where:
Base-Base interactions energy: -113.375
where: short stacking energy: -71.022
Base-Backbone interact. energy: -0.354
local terms energy: -103.320523
where:
bonds (distance) C4'-P energy: -28.610
bonds (distance) P-C4' energy: -25.262
flat angles C4'-P-C4' energy: -29.936
flat angles P-C4'-P energy: -17.088
tors. eta vs tors. theta energy: -2.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -569.466333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.466333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.466333 (E_RNA)
where:
Base-Base interactions energy: -392.855
where: short stacking energy: -168.293
Base-Backbone interact. energy: -0.866
local terms energy: -175.744731
where:
bonds (distance) C4'-P energy: -28.718
bonds (distance) P-C4' energy: -37.167
flat angles C4'-P-C4' energy: -39.454
flat angles P-C4'-P energy: -27.998
tors. eta vs tors. theta energy: -42.408
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: 9
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -541.716260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.716260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.716260 (E_RNA)
where:
Base-Base interactions energy: -366.499
where: short stacking energy: -162.166
Base-Backbone interact. energy: -0.976
local terms energy: -174.240940
where:
bonds (distance) C4'-P energy: -29.445
bonds (distance) P-C4' energy: -40.229
flat angles C4'-P-C4' energy: -37.440
flat angles P-C4'-P energy: -23.316
tors. eta vs tors. theta energy: -43.811
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: 30
Temperature: 1.000000
Total energy: -523.141413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.141413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.141413 (E_RNA)
where:
Base-Base interactions energy: -365.768
where: short stacking energy: -149.704
Base-Backbone interact. energy: 2.740
local terms energy: -160.113098
where:
bonds (distance) C4'-P energy: -36.690
bonds (distance) P-C4' energy: -30.155
flat angles C4'-P-C4' energy: -27.891
flat angles P-C4'-P energy: -25.006
tors. eta vs tors. theta energy: -40.370
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: 1
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -487.422438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.422438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.422438 (E_RNA)
where:
Base-Base interactions energy: -333.223
where: short stacking energy: -150.209
Base-Backbone interact. energy: -0.663
local terms energy: -153.535576
where:
bonds (distance) C4'-P energy: -27.795
bonds (distance) P-C4' energy: -35.981
flat angles C4'-P-C4' energy: -31.567
flat angles P-C4'-P energy: -25.698
tors. eta vs tors. theta energy: -32.495
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: 4
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -430.328418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.328418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.328418 (E_RNA)
where:
Base-Base interactions energy: -302.055
where: short stacking energy: -108.522
Base-Backbone interact. energy: 1.114
local terms energy: -129.387744
where:
bonds (distance) C4'-P energy: -30.593
bonds (distance) P-C4' energy: -36.734
flat angles C4'-P-C4' energy: -35.609
flat angles P-C4'-P energy: -14.771
tors. eta vs tors. theta energy: -11.681
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: 2
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -436.904995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.904995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.904995 (E_RNA)
where:
Base-Base interactions energy: -287.967
where: short stacking energy: -126.750
Base-Backbone interact. energy: 0.447
local terms energy: -149.384879
where:
bonds (distance) C4'-P energy: -32.358
bonds (distance) P-C4' energy: -38.633
flat angles C4'-P-C4' energy: -31.705
flat angles P-C4'-P energy: -18.573
tors. eta vs tors. theta energy: -28.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -367.768433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.768433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.768433 (E_RNA)
where:
Base-Base interactions energy: -230.328
where: short stacking energy: -115.089
Base-Backbone interact. energy: -1.293
local terms energy: -136.148005
where:
bonds (distance) C4'-P energy: -33.255
bonds (distance) P-C4' energy: -30.248
flat angles C4'-P-C4' energy: -31.948
flat angles P-C4'-P energy: -17.141
tors. eta vs tors. theta energy: -23.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -297.537363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.537363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.537363 (E_RNA)
where:
Base-Base interactions energy: -170.854
where: short stacking energy: -90.400
Base-Backbone interact. energy: 1.018
local terms energy: -127.701302
where:
bonds (distance) C4'-P energy: -28.245
bonds (distance) P-C4' energy: -29.469
flat angles C4'-P-C4' energy: -32.798
flat angles P-C4'-P energy: -14.172
tors. eta vs tors. theta energy: -23.018
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: 30
Temperature: 1.300000
Total energy: -257.384119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.384119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.384119 (E_RNA)
where:
Base-Base interactions energy: -154.272
where: short stacking energy: -87.517
Base-Backbone interact. energy: -0.855
local terms energy: -102.256613
where:
bonds (distance) C4'-P energy: -33.120
bonds (distance) P-C4' energy: -32.756
flat angles C4'-P-C4' energy: -24.821
flat angles P-C4'-P energy: -5.366
tors. eta vs tors. theta energy: -6.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -163.405951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.405951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.405951 (E_RNA)
where:
Base-Base interactions energy: -51.580
where: short stacking energy: -50.870
Base-Backbone interact. energy: 0.432
local terms energy: -112.258702
where:
bonds (distance) C4'-P energy: -27.208
bonds (distance) P-C4' energy: -32.073
flat angles C4'-P-C4' energy: -24.009
flat angles P-C4'-P energy: -18.695
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: 1, replica: 3
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -570.490667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.490667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.490667 (E_RNA)
where:
Base-Base interactions energy: -385.206
where: short stacking energy: -166.673
Base-Backbone interact. energy: -0.605
local terms energy: -184.679755
where:
bonds (distance) C4'-P energy: -36.711
bonds (distance) P-C4' energy: -35.272
flat angles C4'-P-C4' energy: -41.343
flat angles P-C4'-P energy: -31.211
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: 2, replica: 9
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -557.558216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.558216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.558216 (E_RNA)
where:
Base-Base interactions energy: -378.180
where: short stacking energy: -162.875
Base-Backbone interact. energy: -0.628
local terms energy: -178.750865
where:
bonds (distance) C4'-P energy: -34.866
bonds (distance) P-C4' energy: -33.329
flat angles C4'-P-C4' energy: -37.788
flat angles P-C4'-P energy: -26.105
tors. eta vs tors. theta energy: -46.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -516.306838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.306838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.306838 (E_RNA)
where:
Base-Base interactions energy: -341.447
where: short stacking energy: -162.135
Base-Backbone interact. energy: -0.118
local terms energy: -174.742604
where:
bonds (distance) C4'-P energy: -30.649
bonds (distance) P-C4' energy: -34.287
flat angles C4'-P-C4' energy: -38.112
flat angles P-C4'-P energy: -28.289
tors. eta vs tors. theta energy: -43.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -520.837759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.837759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.837759 (E_RNA)
where:
Base-Base interactions energy: -360.634
where: short stacking energy: -149.135
Base-Backbone interact. energy: -1.135
local terms energy: -159.068456
where:
bonds (distance) C4'-P energy: -32.926
bonds (distance) P-C4' energy: -37.432
flat angles C4'-P-C4' energy: -30.016
flat angles P-C4'-P energy: -23.572
tors. eta vs tors. theta energy: -35.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -439.501506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.501506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.501506 (E_RNA)
where:
Base-Base interactions energy: -292.733
where: short stacking energy: -119.992
Base-Backbone interact. energy: -0.748
local terms energy: -146.020558
where:
bonds (distance) C4'-P energy: -31.755
bonds (distance) P-C4' energy: -34.225
flat angles C4'-P-C4' energy: -35.397
flat angles P-C4'-P energy: -25.806
tors. eta vs tors. theta energy: -18.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -436.401245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.401245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.401245 (E_RNA)
where:
Base-Base interactions energy: -307.849
where: short stacking energy: -119.725
Base-Backbone interact. energy: 3.999
local terms energy: -132.551350
where:
bonds (distance) C4'-P energy: -26.865
bonds (distance) P-C4' energy: -34.443
flat angles C4'-P-C4' energy: -29.961
flat angles P-C4'-P energy: -17.176
tors. eta vs tors. theta energy: -24.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -385.127628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.127628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.127628 (E_RNA)
where:
Base-Base interactions energy: -242.919
where: short stacking energy: -120.899
Base-Backbone interact. energy: -0.081
local terms energy: -142.127347
where:
bonds (distance) C4'-P energy: -27.637
bonds (distance) P-C4' energy: -36.309
flat angles C4'-P-C4' energy: -33.965
flat angles P-C4'-P energy: -20.806
tors. eta vs tors. theta energy: -23.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -242.575404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.575404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.575404 (E_RNA)
where:
Base-Base interactions energy: -133.685
where: short stacking energy: -76.656
Base-Backbone interact. energy: -0.867
local terms energy: -108.022836
where:
bonds (distance) C4'-P energy: -19.605
bonds (distance) P-C4' energy: -39.605
flat angles C4'-P-C4' energy: -28.982
flat angles P-C4'-P energy: -19.496
tors. eta vs tors. theta energy: -0.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -341.685008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.685008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.685008 (E_RNA)
where:
Base-Base interactions energy: -214.281
where: short stacking energy: -90.557
Base-Backbone interact. energy: -0.589
local terms energy: -126.814439
where:
bonds (distance) C4'-P energy: -31.219
bonds (distance) P-C4' energy: -24.316
flat angles C4'-P-C4' energy: -30.086
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -27.333
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: 7
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -159.047585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.047585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.047585 (E_RNA)
where:
Base-Base interactions energy: -62.622
where: short stacking energy: -60.685
Base-Backbone interact. energy: -0.365
local terms energy: -96.061343
where:
bonds (distance) C4'-P energy: -33.995
bonds (distance) P-C4' energy: -28.735
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -21.070
tors. eta vs tors. theta energy: 0.171
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: 9
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -560.762771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.762771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.762771 (E_RNA)
where:
Base-Base interactions energy: -379.276
where: short stacking energy: -175.196
Base-Backbone interact. energy: 0.018
local terms energy: -181.505354
where:
bonds (distance) C4'-P energy: -31.472
bonds (distance) P-C4' energy: -38.068
flat angles C4'-P-C4' energy: -34.664
flat angles P-C4'-P energy: -29.700
tors. eta vs tors. theta energy: -47.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -541.044860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.044860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.044860 (E_RNA)
where:
Base-Base interactions energy: -366.386
where: short stacking energy: -158.076
Base-Backbone interact. energy: -0.988
local terms energy: -173.670538
where:
bonds (distance) C4'-P energy: -36.353
bonds (distance) P-C4' energy: -31.809
flat angles C4'-P-C4' energy: -37.141
flat angles P-C4'-P energy: -22.551
tors. eta vs tors. theta energy: -45.817
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: 8
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -564.971016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.971016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.971016 (E_RNA)
where:
Base-Base interactions energy: -382.106
where: short stacking energy: -168.506
Base-Backbone interact. energy: -1.048
local terms energy: -181.817224
where:
bonds (distance) C4'-P energy: -35.071
bonds (distance) P-C4' energy: -35.185
flat angles C4'-P-C4' energy: -39.509
flat angles P-C4'-P energy: -19.034
tors. eta vs tors. theta energy: -53.018
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: 1
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -527.316996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.316996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.316996 (E_RNA)
where:
Base-Base interactions energy: -358.901
where: short stacking energy: -158.161
Base-Backbone interact. energy: 0.267
local terms energy: -168.683849
where:
bonds (distance) C4'-P energy: -29.763
bonds (distance) P-C4' energy: -34.536
flat angles C4'-P-C4' energy: -36.408
flat angles P-C4'-P energy: -25.748
tors. eta vs tors. theta energy: -42.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -452.397647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.397647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.397647 (E_RNA)
where:
Base-Base interactions energy: -300.155
where: short stacking energy: -139.728
Base-Backbone interact. energy: -0.314
local terms energy: -151.928211
where:
bonds (distance) C4'-P energy: -27.337
bonds (distance) P-C4' energy: -37.955
flat angles C4'-P-C4' energy: -35.507
flat angles P-C4'-P energy: -20.520
tors. eta vs tors. theta energy: -30.609
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: 4
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -415.351726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.351726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.351726 (E_RNA)
where:
Base-Base interactions energy: -282.948
where: short stacking energy: -104.060
Base-Backbone interact. energy: -0.960
local terms energy: -131.444070
where:
bonds (distance) C4'-P energy: -29.642
bonds (distance) P-C4' energy: -31.698
flat angles C4'-P-C4' energy: -32.700
flat angles P-C4'-P energy: -18.299
tors. eta vs tors. theta energy: -19.105
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: 5
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -391.212394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.212394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.212394 (E_RNA)
where:
Base-Base interactions energy: -255.491
where: short stacking energy: -115.610
Base-Backbone interact. energy: -1.090
local terms energy: -134.631348
where:
bonds (distance) C4'-P energy: -32.762
bonds (distance) P-C4' energy: -30.910
flat angles C4'-P-C4' energy: -25.790
flat angles P-C4'-P energy: -23.230
tors. eta vs tors. theta energy: -21.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -260.689500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.689500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.689500 (E_RNA)
where:
Base-Base interactions energy: -139.485
where: short stacking energy: -79.337
Base-Backbone interact. energy: -0.434
local terms energy: -120.770853
where:
bonds (distance) C4'-P energy: -27.253
bonds (distance) P-C4' energy: -30.168
flat angles C4'-P-C4' energy: -32.111
flat angles P-C4'-P energy: -21.993
tors. eta vs tors. theta energy: -9.245
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: 6
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -349.036905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.036905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.036905 (E_RNA)
where:
Base-Base interactions energy: -212.934
where: short stacking energy: -105.821
Base-Backbone interact. energy: 1.697
local terms energy: -137.799822
where:
bonds (distance) C4'-P energy: -28.350
bonds (distance) P-C4' energy: -32.523
flat angles C4'-P-C4' energy: -29.298
flat angles P-C4'-P energy: -18.464
tors. eta vs tors. theta energy: -29.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -157.809290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.809290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.809290 (E_RNA)
where:
Base-Base interactions energy: -60.655
where: short stacking energy: -47.639
Base-Backbone interact. energy: -0.663
local terms energy: -96.491590
where:
bonds (distance) C4'-P energy: -34.911
bonds (distance) P-C4' energy: -31.393
flat angles C4'-P-C4' energy: -26.331
flat angles P-C4'-P energy: -1.483
tors. eta vs tors. theta energy: -2.374
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: 33
Temperature: 0.900000
Total energy: -553.283228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.283228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.283228 (E_RNA)
where:
Base-Base interactions energy: -378.993
where: short stacking energy: -175.210
Base-Backbone interact. energy: -0.570
local terms energy: -173.720350
where:
bonds (distance) C4'-P energy: -32.166
bonds (distance) P-C4' energy: -31.514
flat angles C4'-P-C4' energy: -40.351
flat angles P-C4'-P energy: -28.113
tors. eta vs tors. theta energy: -41.576
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: 8
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -575.456218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.456218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.456218 (E_RNA)
where:
Base-Base interactions energy: -400.105
where: short stacking energy: -169.602
Base-Backbone interact. energy: -0.414
local terms energy: -174.937926
where:
bonds (distance) C4'-P energy: -37.093
bonds (distance) P-C4' energy: -33.781
flat angles C4'-P-C4' energy: -32.619
flat angles P-C4'-P energy: -26.425
tors. eta vs tors. theta energy: -45.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -539.879269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.879269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.879269 (E_RNA)
where:
Base-Base interactions energy: -376.063
where: short stacking energy: -167.528
Base-Backbone interact. energy: -0.156
local terms energy: -163.660818
where:
bonds (distance) C4'-P energy: -33.040
bonds (distance) P-C4' energy: -32.336
flat angles C4'-P-C4' energy: -33.955
flat angles P-C4'-P energy: -19.485
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: 4, replica: 1
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -538.471986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.471986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.471986 (E_RNA)
where:
Base-Base interactions energy: -386.141
where: short stacking energy: -158.986
Base-Backbone interact. energy: -1.009
local terms energy: -151.322908
where:
bonds (distance) C4'-P energy: -26.316
bonds (distance) P-C4' energy: -31.469
flat angles C4'-P-C4' energy: -36.254
flat angles P-C4'-P energy: -22.595
tors. eta vs tors. theta energy: -34.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -473.954094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.954094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.954094 (E_RNA)
where:
Base-Base interactions energy: -309.654
where: short stacking energy: -132.230
Base-Backbone interact. energy: -0.130
local terms energy: -164.169759
where:
bonds (distance) C4'-P energy: -38.537
bonds (distance) P-C4' energy: -36.901
flat angles C4'-P-C4' energy: -32.225
flat angles P-C4'-P energy: -24.661
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: 6, replica: 4
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -442.720306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.720306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.720306 (E_RNA)
where:
Base-Base interactions energy: -288.698
where: short stacking energy: -115.781
Base-Backbone interact. energy: -2.186
local terms energy: -151.835657
where:
bonds (distance) C4'-P energy: -28.502
bonds (distance) P-C4' energy: -38.042
flat angles C4'-P-C4' energy: -32.181
flat angles P-C4'-P energy: -26.448
tors. eta vs tors. theta energy: -26.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -384.608254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.608254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.608254 (E_RNA)
where:
Base-Base interactions energy: -248.239
where: short stacking energy: -112.691
Base-Backbone interact. energy: 1.370
local terms energy: -137.739551
where:
bonds (distance) C4'-P energy: -30.754
bonds (distance) P-C4' energy: -29.888
flat angles C4'-P-C4' energy: -28.525
flat angles P-C4'-P energy: -27.931
tors. eta vs tors. theta energy: -20.641
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: 6
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -356.766551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.766551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.766551 (E_RNA)
where:
Base-Base interactions energy: -224.213
where: short stacking energy: -101.327
Base-Backbone interact. energy: -0.850
local terms energy: -131.703541
where:
bonds (distance) C4'-P energy: -25.471
bonds (distance) P-C4' energy: -28.207
flat angles C4'-P-C4' energy: -34.352
flat angles P-C4'-P energy: -23.319
tors. eta vs tors. theta energy: -20.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -246.240658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.240658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.240658 (E_RNA)
where:
Base-Base interactions energy: -136.806
where: short stacking energy: -85.998
Base-Backbone interact. energy: -0.723
local terms energy: -108.712340
where:
bonds (distance) C4'-P energy: -23.839
bonds (distance) P-C4' energy: -29.425
flat angles C4'-P-C4' energy: -19.592
flat angles P-C4'-P energy: -23.342
tors. eta vs tors. theta energy: -12.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -159.472408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.472408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.472408 (E_RNA)
where:
Base-Base interactions energy: -47.190
where: short stacking energy: -38.161
Base-Backbone interact. energy: -0.557
local terms energy: -111.725440
where:
bonds (distance) C4'-P energy: -28.210
bonds (distance) P-C4' energy: -33.996
flat angles C4'-P-C4' energy: -29.303
flat angles P-C4'-P energy: -21.243
tors. eta vs tors. theta energy: 1.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -580.782342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.782342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.782342 (E_RNA)
where:
Base-Base interactions energy: -397.607
where: short stacking energy: -176.846
Base-Backbone interact. energy: -1.191
local terms energy: -181.984307
where:
bonds (distance) C4'-P energy: -30.907
bonds (distance) P-C4' energy: -34.094
flat angles C4'-P-C4' energy: -38.671
flat angles P-C4'-P energy: -28.789
tors. eta vs tors. theta energy: -49.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -539.365975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.365975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.365975 (E_RNA)
where:
Base-Base interactions energy: -369.731
where: short stacking energy: -155.347
Base-Backbone interact. energy: -0.236
local terms energy: -169.399038
where:
bonds (distance) C4'-P energy: -26.860
bonds (distance) P-C4' energy: -35.581
flat angles C4'-P-C4' energy: -37.155
flat angles P-C4'-P energy: -26.411
tors. eta vs tors. theta energy: -43.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -542.118721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.118721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.118721 (E_RNA)
where:
Base-Base interactions energy: -365.919
where: short stacking energy: -157.389
Base-Backbone interact. energy: 0.512
local terms energy: -176.711271
where:
bonds (distance) C4'-P energy: -36.357
bonds (distance) P-C4' energy: -32.345
flat angles C4'-P-C4' energy: -36.811
flat angles P-C4'-P energy: -27.138
tors. eta vs tors. theta energy: -44.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -523.009213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.009213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.009213 (E_RNA)
where:
Base-Base interactions energy: -368.321
where: short stacking energy: -157.117
Base-Backbone interact. energy: -0.932
local terms energy: -153.756161
where:
bonds (distance) C4'-P energy: -34.942
bonds (distance) P-C4' energy: -38.273
flat angles C4'-P-C4' energy: -28.819
flat angles P-C4'-P energy: -17.250
tors. eta vs tors. theta energy: -34.472
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: 5, replica: 2
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -472.238885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.238885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.238885 (E_RNA)
where:
Base-Base interactions energy: -327.516
where: short stacking energy: -131.997
Base-Backbone interact. energy: -0.684
local terms energy: -144.038203
where:
bonds (distance) C4'-P energy: -31.481
bonds (distance) P-C4' energy: -31.214
flat angles C4'-P-C4' energy: -36.349
flat angles P-C4'-P energy: -17.949
tors. eta vs tors. theta energy: -27.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -421.406867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.406867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.406867 (E_RNA)
where:
Base-Base interactions energy: -279.130
where: short stacking energy: -123.645
Base-Backbone interact. energy: -1.447
local terms energy: -140.829430
where:
bonds (distance) C4'-P energy: -30.866
bonds (distance) P-C4' energy: -27.428
flat angles C4'-P-C4' energy: -34.795
flat angles P-C4'-P energy: -19.145
tors. eta vs tors. theta energy: -28.596
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: 5
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -389.513145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.513145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.513145 (E_RNA)
where:
Base-Base interactions energy: -252.726
where: short stacking energy: -110.626
Base-Backbone interact. energy: 2.343
local terms energy: -139.130491
where:
bonds (distance) C4'-P energy: -27.550
bonds (distance) P-C4' energy: -32.898
flat angles C4'-P-C4' energy: -31.027
flat angles P-C4'-P energy: -23.641
tors. eta vs tors. theta energy: -24.015
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: 8, replica: 6
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -346.070072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.070072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.070072 (E_RNA)
where:
Base-Base interactions energy: -215.250
where: short stacking energy: -97.266
Base-Backbone interact. energy: -0.857
local terms energy: -129.963404
where:
bonds (distance) C4'-P energy: -29.976
bonds (distance) P-C4' energy: -22.339
flat angles C4'-P-C4' energy: -37.995
flat angles P-C4'-P energy: -17.642
tors. eta vs tors. theta energy: -22.011
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: 34
Temperature: 1.300000
Total energy: -251.996324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.996324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.996324 (E_RNA)
where:
Base-Base interactions energy: -138.066
where: short stacking energy: -73.065
Base-Backbone interact. energy: -1.338
local terms energy: -112.592131
where:
bonds (distance) C4'-P energy: -37.063
bonds (distance) P-C4' energy: -27.399
flat angles C4'-P-C4' energy: -23.688
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -11.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -164.256392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.256392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.256392 (E_RNA)
where:
Base-Base interactions energy: -59.130
where: short stacking energy: -58.165
Base-Backbone interact. energy: 0.804
local terms energy: -105.930012
where:
bonds (distance) C4'-P energy: -34.475
bonds (distance) P-C4' energy: -31.235
flat angles C4'-P-C4' energy: -25.408
flat angles P-C4'-P energy: -15.362
tors. eta vs tors. theta energy: 0.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -589.412728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.412728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.412728 (E_RNA)
where:
Base-Base interactions energy: -402.121
where: short stacking energy: -180.475
Base-Backbone interact. energy: -1.250
local terms energy: -186.041558
where:
bonds (distance) C4'-P energy: -38.223
bonds (distance) P-C4' energy: -33.641
flat angles C4'-P-C4' energy: -37.426
flat angles P-C4'-P energy: -23.559
tors. eta vs tors. theta energy: -53.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -547.675758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.675758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.675758 (E_RNA)
where:
Base-Base interactions energy: -368.792
where: short stacking energy: -156.325
Base-Backbone interact. energy: -0.791
local terms energy: -178.092462
where:
bonds (distance) C4'-P energy: -37.242
bonds (distance) P-C4' energy: -35.101
flat angles C4'-P-C4' energy: -34.786
flat angles P-C4'-P energy: -25.848
tors. eta vs tors. theta energy: -45.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -534.287198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.287198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.287198 (E_RNA)
where:
Base-Base interactions energy: -364.091
where: short stacking energy: -164.812
Base-Backbone interact. energy: -0.496
local terms energy: -169.700263
where:
bonds (distance) C4'-P energy: -31.343
bonds (distance) P-C4' energy: -36.514
flat angles C4'-P-C4' energy: -31.856
flat angles P-C4'-P energy: -20.774
tors. eta vs tors. theta energy: -49.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -534.918780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.918780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.918780 (E_RNA)
where:
Base-Base interactions energy: -378.834
where: short stacking energy: -161.896
Base-Backbone interact. energy: -0.117
local terms energy: -155.968118
where:
bonds (distance) C4'-P energy: -26.813
bonds (distance) P-C4' energy: -29.496
flat angles C4'-P-C4' energy: -35.520
flat angles P-C4'-P energy: -21.284
tors. eta vs tors. theta energy: -42.855
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: 2
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -480.242904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.242904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.242904 (E_RNA)
where:
Base-Base interactions energy: -329.235
where: short stacking energy: -138.876
Base-Backbone interact. energy: -0.568
local terms energy: -150.440035
where:
bonds (distance) C4'-P energy: -33.164
bonds (distance) P-C4' energy: -33.125
flat angles C4'-P-C4' energy: -33.273
flat angles P-C4'-P energy: -19.332
tors. eta vs tors. theta energy: -31.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -423.350575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.350575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.350575 (E_RNA)
where:
Base-Base interactions energy: -296.225
where: short stacking energy: -125.262
Base-Backbone interact. energy: -0.902
local terms energy: -126.223778
where:
bonds (distance) C4'-P energy: -29.637
bonds (distance) P-C4' energy: -27.456
flat angles C4'-P-C4' energy: -25.812
flat angles P-C4'-P energy: -18.172
tors. eta vs tors. theta energy: -25.148
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: 5
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -378.301635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.301635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.301635 (E_RNA)
where:
Base-Base interactions energy: -253.966
where: short stacking energy: -113.559
Base-Backbone interact. energy: -0.075
local terms energy: -124.261059
where:
bonds (distance) C4'-P energy: -31.496
bonds (distance) P-C4' energy: -30.043
flat angles C4'-P-C4' energy: -27.203
flat angles P-C4'-P energy: -19.484
tors. eta vs tors. theta energy: -16.035
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: 6
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -352.919688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.919688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.919688 (E_RNA)
where:
Base-Base interactions energy: -229.081
where: short stacking energy: -94.216
Base-Backbone interact. energy: -0.150
local terms energy: -123.688034
where:
bonds (distance) C4'-P energy: -30.932
bonds (distance) P-C4' energy: -27.495
flat angles C4'-P-C4' energy: -22.004
flat angles P-C4'-P energy: -28.623
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: 9, replica: 10
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -244.073670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.073670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.073670 (E_RNA)
where:
Base-Base interactions energy: -130.707
where: short stacking energy: -70.243
Base-Backbone interact. energy: -1.522
local terms energy: -111.844159
where:
bonds (distance) C4'-P energy: -30.779
bonds (distance) P-C4' energy: -30.361
flat angles C4'-P-C4' energy: -32.105
flat angles P-C4'-P energy: -14.024
tors. eta vs tors. theta energy: -4.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -175.607112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.607112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.607112 (E_RNA)
where:
Base-Base interactions energy: -90.177
where: short stacking energy: -59.359
Base-Backbone interact. energy: 1.910
local terms energy: -87.339687
where:
bonds (distance) C4'-P energy: -25.344
bonds (distance) P-C4' energy: -30.022
flat angles C4'-P-C4' energy: -11.482
flat angles P-C4'-P energy: -17.962
tors. eta vs tors. theta energy: -2.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -581.472184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.472184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.472184 (E_RNA)
where:
Base-Base interactions energy: -398.666
where: short stacking energy: -178.458
Base-Backbone interact. energy: -0.549
local terms energy: -182.257163
where:
bonds (distance) C4'-P energy: -37.039
bonds (distance) P-C4' energy: -35.547
flat angles C4'-P-C4' energy: -39.723
flat angles P-C4'-P energy: -23.148
tors. eta vs tors. theta energy: -46.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -563.900059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.900059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.900059 (E_RNA)
where:
Base-Base interactions energy: -378.693
where: short stacking energy: -168.481
Base-Backbone interact. energy: -0.611
local terms energy: -184.596599
where:
bonds (distance) C4'-P energy: -29.241
bonds (distance) P-C4' energy: -38.191
flat angles C4'-P-C4' energy: -38.345
flat angles P-C4'-P energy: -28.954
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: 9
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -526.073474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.073474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.073474 (E_RNA)
where:
Base-Base interactions energy: -365.423
where: short stacking energy: -164.279
Base-Backbone interact. energy: -0.167
local terms energy: -160.483630
where:
bonds (distance) C4'-P energy: -20.054
bonds (distance) P-C4' energy: -33.844
flat angles C4'-P-C4' energy: -33.654
flat angles P-C4'-P energy: -24.804
tors. eta vs tors. theta energy: -48.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -543.014501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.014501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.014501 (E_RNA)
where:
Base-Base interactions energy: -371.055
where: short stacking energy: -147.567
Base-Backbone interact. energy: -0.478
local terms energy: -171.481352
where:
bonds (distance) C4'-P energy: -28.840
bonds (distance) P-C4' energy: -37.696
flat angles C4'-P-C4' energy: -37.464
flat angles P-C4'-P energy: -27.202
tors. eta vs tors. theta energy: -40.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -498.644604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.644604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.644604 (E_RNA)
where:
Base-Base interactions energy: -343.947
where: short stacking energy: -149.944
Base-Backbone interact. energy: -1.549
local terms energy: -153.147741
where:
bonds (distance) C4'-P energy: -33.255
bonds (distance) P-C4' energy: -31.085
flat angles C4'-P-C4' energy: -30.846
flat angles P-C4'-P energy: -22.555
tors. eta vs tors. theta energy: -35.407
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: 4
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -431.937328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.937328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.937328 (E_RNA)
where:
Base-Base interactions energy: -303.861
where: short stacking energy: -113.102
Base-Backbone interact. energy: 0.208
local terms energy: -128.284673
where:
bonds (distance) C4'-P energy: -30.746
bonds (distance) P-C4' energy: -27.488
flat angles C4'-P-C4' energy: -26.824
flat angles P-C4'-P energy: -20.762
tors. eta vs tors. theta energy: -22.464
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: 5
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -392.645372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.645372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.645372 (E_RNA)
where:
Base-Base interactions energy: -256.263
where: short stacking energy: -125.473
Base-Backbone interact. energy: -1.207
local terms energy: -135.175680
where:
bonds (distance) C4'-P energy: -21.327
bonds (distance) P-C4' energy: -35.652
flat angles C4'-P-C4' energy: -20.045
flat angles P-C4'-P energy: -25.009
tors. eta vs tors. theta energy: -33.143
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: 6
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -331.441672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.441672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.441672 (E_RNA)
where:
Base-Base interactions energy: -199.800
where: short stacking energy: -90.306
Base-Backbone interact. energy: -0.436
local terms energy: -131.205560
where:
bonds (distance) C4'-P energy: -34.027
bonds (distance) P-C4' energy: -34.602
flat angles C4'-P-C4' energy: -28.105
flat angles P-C4'-P energy: -16.377
tors. eta vs tors. theta energy: -18.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -241.512713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.512713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.512713 (E_RNA)
where:
Base-Base interactions energy: -125.835
where: short stacking energy: -70.094
Base-Backbone interact. energy: -0.892
local terms energy: -114.786118
where:
bonds (distance) C4'-P energy: -31.046
bonds (distance) P-C4' energy: -34.810
flat angles C4'-P-C4' energy: -32.487
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -3.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -161.606625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.606625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.606625 (E_RNA)
where:
Base-Base interactions energy: -66.002
where: short stacking energy: -56.533
Base-Backbone interact. energy: -0.353
local terms energy: -95.251568
where:
bonds (distance) C4'-P energy: -31.901
bonds (distance) P-C4' energy: -28.768
flat angles C4'-P-C4' energy: -18.270
flat angles P-C4'-P energy: -16.219
tors. eta vs tors. theta energy: -0.094
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: 3
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -576.504291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.504291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.504291 (E_RNA)
where:
Base-Base interactions energy: -399.961
where: short stacking energy: -173.037
Base-Backbone interact. energy: -1.128
local terms energy: -175.415766
where:
bonds (distance) C4'-P energy: -32.180
bonds (distance) P-C4' energy: -32.665
flat angles C4'-P-C4' energy: -41.508
flat angles P-C4'-P energy: -23.406
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: 2, replica: 8
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -560.392262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.392262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.392262 (E_RNA)
where:
Base-Base interactions energy: -375.513
where: short stacking energy: -164.922
Base-Backbone interact. energy: -0.573
local terms energy: -184.305973
where:
bonds (distance) C4'-P energy: -32.435
bonds (distance) P-C4' energy: -30.951
flat angles C4'-P-C4' energy: -40.564
flat angles P-C4'-P energy: -32.209
tors. eta vs tors. theta energy: -48.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -552.479116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.479116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.479116 (E_RNA)
where:
Base-Base interactions energy: -371.622
where: short stacking energy: -167.476
Base-Backbone interact. energy: -0.853
local terms energy: -180.004186
where:
bonds (distance) C4'-P energy: -36.347
bonds (distance) P-C4' energy: -36.680
flat angles C4'-P-C4' energy: -34.736
flat angles P-C4'-P energy: -26.340
tors. eta vs tors. theta energy: -45.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -544.640779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.640779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.640779 (E_RNA)
where:
Base-Base interactions energy: -389.527
where: short stacking energy: -149.263
Base-Backbone interact. energy: -0.176
local terms energy: -154.937391
where:
bonds (distance) C4'-P energy: -29.791
bonds (distance) P-C4' energy: -34.859
flat angles C4'-P-C4' energy: -27.833
flat angles P-C4'-P energy: -23.004
tors. eta vs tors. theta energy: -39.451
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: 5, replica: 2
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -519.704898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.704898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.704898 (E_RNA)
where:
Base-Base interactions energy: -359.124
where: short stacking energy: -148.423
Base-Backbone interact. energy: 0.222
local terms energy: -160.802805
where:
bonds (distance) C4'-P energy: -31.056
bonds (distance) P-C4' energy: -30.683
flat angles C4'-P-C4' energy: -39.028
flat angles P-C4'-P energy: -22.364
tors. eta vs tors. theta energy: -37.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -445.381861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.381861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.381861 (E_RNA)
where:
Base-Base interactions energy: -323.622
where: short stacking energy: -140.576
Base-Backbone interact. energy: 1.695
local terms energy: -123.454208
where:
bonds (distance) C4'-P energy: -20.164
bonds (distance) P-C4' energy: -30.075
flat angles C4'-P-C4' energy: -34.425
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -25.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -367.914247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.914247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.914247 (E_RNA)
where:
Base-Base interactions energy: -237.271
where: short stacking energy: -117.064
Base-Backbone interact. energy: -0.584
local terms energy: -130.059030
where:
bonds (distance) C4'-P energy: -31.768
bonds (distance) P-C4' energy: -25.863
flat angles C4'-P-C4' energy: -24.435
flat angles P-C4'-P energy: -19.486
tors. eta vs tors. theta energy: -28.507
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: 6
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -354.799987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.799987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.799987 (E_RNA)
where:
Base-Base interactions energy: -216.460
where: short stacking energy: -102.070
Base-Backbone interact. energy: -0.265
local terms energy: -138.075523
where:
bonds (distance) C4'-P energy: -34.150
bonds (distance) P-C4' energy: -30.017
flat angles C4'-P-C4' energy: -36.831
flat angles P-C4'-P energy: -22.188
tors. eta vs tors. theta energy: -14.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -241.543990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.543990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.543990 (E_RNA)
where:
Base-Base interactions energy: -135.559
where: short stacking energy: -75.724
Base-Backbone interact. energy: -0.419
local terms energy: -105.565731
where:
bonds (distance) C4'-P energy: -23.075
bonds (distance) P-C4' energy: -31.681
flat angles C4'-P-C4' energy: -23.538
flat angles P-C4'-P energy: -25.535
tors. eta vs tors. theta energy: -1.737
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: 7
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -155.125327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.125327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.125327 (E_RNA)
where:
Base-Base interactions energy: -55.593
where: short stacking energy: -46.430
Base-Backbone interact. energy: -0.792
local terms energy: -98.740057
where:
bonds (distance) C4'-P energy: -27.526
bonds (distance) P-C4' energy: -30.758
flat angles C4'-P-C4' energy: -25.661
flat angles P-C4'-P energy: -16.452
tors. eta vs tors. theta energy: 1.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -588.958619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.958619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.958619 (E_RNA)
where:
Base-Base interactions energy: -400.767
where: short stacking energy: -181.362
Base-Backbone interact. energy: -1.049
local terms energy: -187.142427
where:
bonds (distance) C4'-P energy: -36.477
bonds (distance) P-C4' energy: -33.925
flat angles C4'-P-C4' energy: -38.505
flat angles P-C4'-P energy: -29.687
tors. eta vs tors. theta energy: -48.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -547.380452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.380452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.380452 (E_RNA)
where:
Base-Base interactions energy: -383.946
where: short stacking energy: -176.315
Base-Backbone interact. energy: -0.837
local terms energy: -162.597445
where:
bonds (distance) C4'-P energy: -35.736
bonds (distance) P-C4' energy: -32.351
flat angles C4'-P-C4' energy: -30.889
flat angles P-C4'-P energy: -24.451
tors. eta vs tors. theta energy: -39.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -545.172239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.172239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.172239 (E_RNA)
where:
Base-Base interactions energy: -385.385
where: short stacking energy: -176.581
Base-Backbone interact. energy: 0.013
local terms energy: -159.800846
where:
bonds (distance) C4'-P energy: -35.722
bonds (distance) P-C4' energy: -31.275
flat angles C4'-P-C4' energy: -32.699
flat angles P-C4'-P energy: -18.678
tors. eta vs tors. theta energy: -41.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -518.347284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.347284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.347284 (E_RNA)
where:
Base-Base interactions energy: -365.728
where: short stacking energy: -146.075
Base-Backbone interact. energy: 2.147
local terms energy: -154.765354
where:
bonds (distance) C4'-P energy: -26.222
bonds (distance) P-C4' energy: -28.578
flat angles C4'-P-C4' energy: -38.497
flat angles P-C4'-P energy: -23.889
tors. eta vs tors. theta energy: -37.579
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: 2
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -567.474314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.474314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.474314 (E_RNA)
where:
Base-Base interactions energy: -403.996
where: short stacking energy: -159.337
Base-Backbone interact. energy: 0.648
local terms energy: -164.126292
where:
bonds (distance) C4'-P energy: -27.689
bonds (distance) P-C4' energy: -37.403
flat angles C4'-P-C4' energy: -40.610
flat angles P-C4'-P energy: -18.322
tors. eta vs tors. theta energy: -40.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -424.081433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.081433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.081433 (E_RNA)
where:
Base-Base interactions energy: -303.442
where: short stacking energy: -120.877
Base-Backbone interact. energy: 0.714
local terms energy: -121.353607
where:
bonds (distance) C4'-P energy: -20.275
bonds (distance) P-C4' energy: -26.980
flat angles C4'-P-C4' energy: -29.010
flat angles P-C4'-P energy: -23.031
tors. eta vs tors. theta energy: -22.058
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: 6
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -334.719040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.719040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.719040 (E_RNA)
where:
Base-Base interactions energy: -208.041
where: short stacking energy: -95.395
Base-Backbone interact. energy: -0.991
local terms energy: -125.686814
where:
bonds (distance) C4'-P energy: -28.809
bonds (distance) P-C4' energy: -30.934
flat angles C4'-P-C4' energy: -30.160
flat angles P-C4'-P energy: -23.609
tors. eta vs tors. theta energy: -12.175
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: 5
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -348.026127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.026127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.026127 (E_RNA)
where:
Base-Base interactions energy: -218.372
where: short stacking energy: -105.742
Base-Backbone interact. energy: -1.325
local terms energy: -128.329799
where:
bonds (distance) C4'-P energy: -31.688
bonds (distance) P-C4' energy: -31.751
flat angles C4'-P-C4' energy: -32.884
flat angles P-C4'-P energy: -20.834
tors. eta vs tors. theta energy: -11.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -225.763139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.763139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.763139 (E_RNA)
where:
Base-Base interactions energy: -133.175
where: short stacking energy: -61.227
Base-Backbone interact. energy: -0.726
local terms energy: -91.862101
where:
bonds (distance) C4'-P energy: -30.435
bonds (distance) P-C4' energy: -25.551
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -9.104
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: 7
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -165.292642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.292642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.292642 (E_RNA)
where:
Base-Base interactions energy: -55.141
where: short stacking energy: -46.254
Base-Backbone interact. energy: -0.570
local terms energy: -109.581464
where:
bonds (distance) C4'-P energy: -27.154
bonds (distance) P-C4' energy: -31.625
flat angles C4'-P-C4' energy: -31.786
flat angles P-C4'-P energy: -19.731
tors. eta vs tors. theta energy: 0.715
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: 8
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -587.322633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.322633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.322633 (E_RNA)
where:
Base-Base interactions energy: -399.379
where: short stacking energy: -163.078
Base-Backbone interact. energy: -1.071
local terms energy: -186.872730
where:
bonds (distance) C4'-P energy: -36.001
bonds (distance) P-C4' energy: -39.842
flat angles C4'-P-C4' energy: -38.705
flat angles P-C4'-P energy: -25.492
tors. eta vs tors. theta energy: -46.832
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: 3
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -560.346920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.346920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.346920 (E_RNA)
where:
Base-Base interactions energy: -390.951
where: short stacking energy: -173.896
Base-Backbone interact. energy: -1.224
local terms energy: -168.172373
where:
bonds (distance) C4'-P energy: -30.243
bonds (distance) P-C4' energy: -32.050
flat angles C4'-P-C4' energy: -37.492
flat angles P-C4'-P energy: -23.838
tors. eta vs tors. theta energy: -44.549
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: 9
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -514.449485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.449485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.449485 (E_RNA)
where:
Base-Base interactions energy: -343.722
where: short stacking energy: -160.393
Base-Backbone interact. energy: 0.792
local terms energy: -171.519586
where:
bonds (distance) C4'-P energy: -34.506
bonds (distance) P-C4' energy: -34.843
flat angles C4'-P-C4' energy: -30.640
flat angles P-C4'-P energy: -25.148
tors. eta vs tors. theta energy: -46.382
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: 4, replica: 2
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -565.603454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.603454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.603454 (E_RNA)
where:
Base-Base interactions energy: -400.263
where: short stacking energy: -150.220
Base-Backbone interact. energy: -0.192
local terms energy: -165.148525
where:
bonds (distance) C4'-P energy: -32.499
bonds (distance) P-C4' energy: -29.072
flat angles C4'-P-C4' energy: -39.128
flat angles P-C4'-P energy: -24.768
tors. eta vs tors. theta energy: -39.682
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: 39
Temperature: 1.100000
Total energy: -523.929193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.929193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.929193 (E_RNA)
where:
Base-Base interactions energy: -360.380
where: short stacking energy: -144.772
Base-Backbone interact. energy: -1.769
local terms energy: -161.780734
where:
bonds (distance) C4'-P energy: -31.566
bonds (distance) P-C4' energy: -29.129
flat angles C4'-P-C4' energy: -32.437
flat angles P-C4'-P energy: -27.499
tors. eta vs tors. theta energy: -41.150
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: 4
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -427.434697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.434697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.434697 (E_RNA)
where:
Base-Base interactions energy: -294.663
where: short stacking energy: -110.816
Base-Backbone interact. energy: 0.749
local terms energy: -133.520977
where:
bonds (distance) C4'-P energy: -21.308
bonds (distance) P-C4' energy: -33.948
flat angles C4'-P-C4' energy: -38.716
flat angles P-C4'-P energy: -20.242
tors. eta vs tors. theta energy: -19.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -361.318627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.318627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.318627 (E_RNA)
where:
Base-Base interactions energy: -232.856
where: short stacking energy: -109.995
Base-Backbone interact. energy: -0.890
local terms energy: -127.572049
where:
bonds (distance) C4'-P energy: -23.255
bonds (distance) P-C4' energy: -39.999
flat angles C4'-P-C4' energy: -34.513
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -17.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -368.980851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.980851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.980851 (E_RNA)
where:
Base-Base interactions energy: -254.108
where: short stacking energy: -107.158
Base-Backbone interact. energy: -0.428
local terms energy: -114.444618
where:
bonds (distance) C4'-P energy: -29.086
bonds (distance) P-C4' energy: -30.994
flat angles C4'-P-C4' energy: -31.562
flat angles P-C4'-P energy: -14.487
tors. eta vs tors. theta energy: -8.317
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: 39
Temperature: 1.300000
Total energy: -274.772389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.772389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.772389 (E_RNA)
where:
Base-Base interactions energy: -153.011
where: short stacking energy: -81.801
Base-Backbone interact. energy: -1.628
local terms energy: -120.132793
where:
bonds (distance) C4'-P energy: -31.502
bonds (distance) P-C4' energy: -32.361
flat angles C4'-P-C4' energy: -28.441
flat angles P-C4'-P energy: -14.448
tors. eta vs tors. theta energy: -13.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -166.338842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.338842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.338842 (E_RNA)
where:
Base-Base interactions energy: -67.274
where: short stacking energy: -45.767
Base-Backbone interact. energy: -0.709
local terms energy: -98.355941
where:
bonds (distance) C4'-P energy: -30.450
bonds (distance) P-C4' energy: -30.747
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -18.706
tors. eta vs tors. theta energy: 0.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -574.979392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.979392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.979392 (E_RNA)
where:
Base-Base interactions energy: -399.018
where: short stacking energy: -170.391
Base-Backbone interact. energy: -0.794
local terms energy: -175.167854
where:
bonds (distance) C4'-P energy: -32.043
bonds (distance) P-C4' energy: -27.225
flat angles C4'-P-C4' energy: -38.360
flat angles P-C4'-P energy: -24.987
tors. eta vs tors. theta energy: -52.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -547.460665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.460665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.460665 (E_RNA)
where:
Base-Base interactions energy: -376.498
where: short stacking energy: -170.744
Base-Backbone interact. energy: -0.288
local terms energy: -170.674887
where:
bonds (distance) C4'-P energy: -27.780
bonds (distance) P-C4' energy: -32.601
flat angles C4'-P-C4' energy: -41.486
flat angles P-C4'-P energy: -28.697
tors. eta vs tors. theta energy: -40.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -576.856673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.856673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.856673 (E_RNA)
where:
Base-Base interactions energy: -405.586
where: short stacking energy: -163.995
Base-Backbone interact. energy: -0.138
local terms energy: -171.132432
where:
bonds (distance) C4'-P energy: -33.107
bonds (distance) P-C4' energy: -32.555
flat angles C4'-P-C4' energy: -36.956
flat angles P-C4'-P energy: -27.373
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: 4, replica: 9
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -540.061873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.061873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.061873 (E_RNA)
where:
Base-Base interactions energy: -374.433
where: short stacking energy: -169.510
Base-Backbone interact. energy: -0.430
local terms energy: -165.199257
where:
bonds (distance) C4'-P energy: -29.454
bonds (distance) P-C4' energy: -30.944
flat angles C4'-P-C4' energy: -33.753
flat angles P-C4'-P energy: -21.785
tors. eta vs tors. theta energy: -49.264
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: 1
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -530.683109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.683109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.683109 (E_RNA)
where:
Base-Base interactions energy: -376.630
where: short stacking energy: -159.161
Base-Backbone interact. energy: 3.661
local terms energy: -157.715080
where:
bonds (distance) C4'-P energy: -32.793
bonds (distance) P-C4' energy: -27.483
flat angles C4'-P-C4' energy: -35.610
flat angles P-C4'-P energy: -23.140
tors. eta vs tors. theta energy: -38.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -440.737926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.737926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.737926 (E_RNA)
where:
Base-Base interactions energy: -303.442
where: short stacking energy: -108.772
Base-Backbone interact. energy: -1.609
local terms energy: -135.686658
where:
bonds (distance) C4'-P energy: -30.706
bonds (distance) P-C4' energy: -29.532
flat angles C4'-P-C4' energy: -38.182
flat angles P-C4'-P energy: -21.446
tors. eta vs tors. theta energy: -15.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -394.161914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.161914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.161914 (E_RNA)
where:
Base-Base interactions energy: -256.521
where: short stacking energy: -103.054
Base-Backbone interact. energy: -0.982
local terms energy: -136.659073
where:
bonds (distance) C4'-P energy: -37.839
bonds (distance) P-C4' energy: -30.966
flat angles C4'-P-C4' energy: -29.939
flat angles P-C4'-P energy: -14.558
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: 8, replica: 6
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -346.691165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.691165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.691165 (E_RNA)
where:
Base-Base interactions energy: -223.981
where: short stacking energy: -109.497
Base-Backbone interact. energy: -0.111
local terms energy: -122.599119
where:
bonds (distance) C4'-P energy: -30.974
bonds (distance) P-C4' energy: -31.848
flat angles C4'-P-C4' energy: -25.477
flat angles P-C4'-P energy: -16.846
tors. eta vs tors. theta energy: -17.454
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: 40
Temperature: 1.300000
Total energy: -263.784308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.784308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.784308 (E_RNA)
where:
Base-Base interactions energy: -166.941
where: short stacking energy: -84.837
Base-Backbone interact. energy: -0.709
local terms energy: -96.134374
where:
bonds (distance) C4'-P energy: -18.918
bonds (distance) P-C4' energy: -25.643
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -27.777
tors. eta vs tors. theta energy: -7.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -152.088328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.088328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.088328 (E_RNA)
where:
Base-Base interactions energy: -46.158
where: short stacking energy: -44.502
Base-Backbone interact. energy: -1.101
local terms energy: -104.828793
where:
bonds (distance) C4'-P energy: -30.680
bonds (distance) P-C4' energy: -29.759
flat angles C4'-P-C4' energy: -28.478
flat angles P-C4'-P energy: -17.710
tors. eta vs tors. theta energy: 1.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -563.679239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.679239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.679239 (E_RNA)
where:
Base-Base interactions energy: -385.210
where: short stacking energy: -166.807
Base-Backbone interact. energy: -1.254
local terms energy: -177.214889
where:
bonds (distance) C4'-P energy: -32.199
bonds (distance) P-C4' energy: -34.936
flat angles C4'-P-C4' energy: -34.205
flat angles P-C4'-P energy: -30.722
tors. eta vs tors. theta energy: -45.153
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: 2
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -584.554134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.554134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.554134 (E_RNA)
where:
Base-Base interactions energy: -407.510
where: short stacking energy: -159.318
Base-Backbone interact. energy: -1.558
local terms energy: -175.486265
where:
bonds (distance) C4'-P energy: -28.883
bonds (distance) P-C4' energy: -35.403
flat angles C4'-P-C4' energy: -39.928
flat angles P-C4'-P energy: -26.819
tors. eta vs tors. theta energy: -44.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -534.869202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.869202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.869202 (E_RNA)
where:
Base-Base interactions energy: -375.833
where: short stacking energy: -154.959
Base-Backbone interact. energy: -0.522
local terms energy: -158.513921
where:
bonds (distance) C4'-P energy: -29.228
bonds (distance) P-C4' energy: -25.768
flat angles C4'-P-C4' energy: -39.343
flat angles P-C4'-P energy: -26.469
tors. eta vs tors. theta energy: -37.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -554.346421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.346421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.346421 (E_RNA)
where:
Base-Base interactions energy: -388.840
where: short stacking energy: -152.522
Base-Backbone interact. energy: -0.232
local terms energy: -165.274973
where:
bonds (distance) C4'-P energy: -36.427
bonds (distance) P-C4' energy: -25.709
flat angles C4'-P-C4' energy: -36.642
flat angles P-C4'-P energy: -28.699
tors. eta vs tors. theta energy: -37.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -511.404171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.404171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.404171 (E_RNA)
where:
Base-Base interactions energy: -347.967
where: short stacking energy: -156.802
Base-Backbone interact. energy: -0.904
local terms energy: -162.532647
where:
bonds (distance) C4'-P energy: -25.021
bonds (distance) P-C4' energy: -33.472
flat angles C4'-P-C4' energy: -36.020
flat angles P-C4'-P energy: -21.261
tors. eta vs tors. theta energy: -46.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -431.131904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.131904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.131904 (E_RNA)
where:
Base-Base interactions energy: -303.956
where: short stacking energy: -128.986
Base-Backbone interact. energy: -0.964
local terms energy: -126.211986
where:
bonds (distance) C4'-P energy: -35.425
bonds (distance) P-C4' energy: -32.574
flat angles C4'-P-C4' energy: -23.156
flat angles P-C4'-P energy: -16.500
tors. eta vs tors. theta energy: -18.557
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: 5
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -374.412730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.412730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.412730 (E_RNA)
where:
Base-Base interactions energy: -230.427
where: short stacking energy: -108.874
Base-Backbone interact. energy: -0.766
local terms energy: -143.219701
where:
bonds (distance) C4'-P energy: -31.793
bonds (distance) P-C4' energy: -34.097
flat angles C4'-P-C4' energy: -30.507
flat angles P-C4'-P energy: -23.452
tors. eta vs tors. theta energy: -23.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -324.820862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.820862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.820862 (E_RNA)
where:
Base-Base interactions energy: -203.284
where: short stacking energy: -101.805
Base-Backbone interact. energy: -0.204
local terms energy: -121.332197
where:
bonds (distance) C4'-P energy: -27.647
bonds (distance) P-C4' energy: -35.546
flat angles C4'-P-C4' energy: -30.380
flat angles P-C4'-P energy: -14.003
tors. eta vs tors. theta energy: -13.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -287.616677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.616677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.616677 (E_RNA)
where:
Base-Base interactions energy: -169.650
where: short stacking energy: -77.651
Base-Backbone interact. energy: -0.437
local terms energy: -117.528813
where:
bonds (distance) C4'-P energy: -28.611
bonds (distance) P-C4' energy: -32.378
flat angles C4'-P-C4' energy: -25.354
flat angles P-C4'-P energy: -22.037
tors. eta vs tors. theta energy: -9.149
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: 7
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -175.880783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.880783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.880783 (E_RNA)
where:
Base-Base interactions energy: -74.647
where: short stacking energy: -72.162
Base-Backbone interact. energy: 0.886
local terms energy: -102.119969
where:
bonds (distance) C4'-P energy: -27.218
bonds (distance) P-C4' energy: -33.127
flat angles C4'-P-C4' energy: -25.009
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -4.362
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: 2
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -595.333091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.333091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.333091 (E_RNA)
where:
Base-Base interactions energy: -410.194
where: short stacking energy: -170.748
Base-Backbone interact. energy: -1.803
local terms energy: -183.335871
where:
bonds (distance) C4'-P energy: -35.312
bonds (distance) P-C4' energy: -37.126
flat angles C4'-P-C4' energy: -34.291
flat angles P-C4'-P energy: -30.421
tors. eta vs tors. theta energy: -46.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -568.139130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.139130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.139130 (E_RNA)
where:
Base-Base interactions energy: -401.131
where: short stacking energy: -177.822
Base-Backbone interact. energy: -0.377
local terms energy: -166.631095
where:
bonds (distance) C4'-P energy: -33.215
bonds (distance) P-C4' energy: -30.314
flat angles C4'-P-C4' energy: -32.125
flat angles P-C4'-P energy: -21.582
tors. eta vs tors. theta energy: -49.395
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: 3, replica: 1
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -569.147997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.147997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.147997 (E_RNA)
where:
Base-Base interactions energy: -393.932
where: short stacking energy: -159.471
Base-Backbone interact. energy: -1.774
local terms energy: -173.441911
where:
bonds (distance) C4'-P energy: -32.187
bonds (distance) P-C4' energy: -35.137
flat angles C4'-P-C4' energy: -37.403
flat angles P-C4'-P energy: -27.159
tors. eta vs tors. theta energy: -41.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -529.172357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.172357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.172357 (E_RNA)
where:
Base-Base interactions energy: -365.949
where: short stacking energy: -173.857
Base-Backbone interact. energy: -0.171
local terms energy: -163.052835
where:
bonds (distance) C4'-P energy: -31.792
bonds (distance) P-C4' energy: -32.653
flat angles C4'-P-C4' energy: -31.968
flat angles P-C4'-P energy: -18.479
tors. eta vs tors. theta energy: -48.161
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: 42
Temperature: 1.100000
Total energy: -509.021167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.021167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.021167 (E_RNA)
where:
Base-Base interactions energy: -356.575
where: short stacking energy: -153.233
Base-Backbone interact. energy: -0.711
local terms energy: -151.735845
where:
bonds (distance) C4'-P energy: -31.395
bonds (distance) P-C4' energy: -28.285
flat angles C4'-P-C4' energy: -38.969
flat angles P-C4'-P energy: -16.456
tors. eta vs tors. theta energy: -36.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -418.176861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.176861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.176861 (E_RNA)
where:
Base-Base interactions energy: -301.774
where: short stacking energy: -118.789
Base-Backbone interact. energy: -0.055
local terms energy: -116.347153
where:
bonds (distance) C4'-P energy: -28.775
bonds (distance) P-C4' energy: -23.276
flat angles C4'-P-C4' energy: -30.382
flat angles P-C4'-P energy: -14.733
tors. eta vs tors. theta energy: -19.181
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: 5
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -381.636670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.636670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.636670 (E_RNA)
where:
Base-Base interactions energy: -240.794
where: short stacking energy: -118.804
Base-Backbone interact. energy: -0.990
local terms energy: -139.852340
where:
bonds (distance) C4'-P energy: -28.275
bonds (distance) P-C4' energy: -31.986
flat angles C4'-P-C4' energy: -32.729
flat angles P-C4'-P energy: -17.347
tors. eta vs tors. theta energy: -29.516
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: 6
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -357.693462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.693462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.693462 (E_RNA)
where:
Base-Base interactions energy: -223.956
where: short stacking energy: -101.913
Base-Backbone interact. energy: -0.268
local terms energy: -133.468975
where:
bonds (distance) C4'-P energy: -32.177
bonds (distance) P-C4' energy: -32.490
flat angles C4'-P-C4' energy: -37.128
flat angles P-C4'-P energy: -13.757
tors. eta vs tors. theta energy: -17.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -248.859878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.859878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.859878 (E_RNA)
where:
Base-Base interactions energy: -136.137
where: short stacking energy: -71.821
Base-Backbone interact. energy: -0.378
local terms energy: -112.344293
where:
bonds (distance) C4'-P energy: -26.801
bonds (distance) P-C4' energy: -24.304
flat angles C4'-P-C4' energy: -27.639
flat angles P-C4'-P energy: -24.221
tors. eta vs tors. theta energy: -9.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -165.443957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.443957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.443957 (E_RNA)
where:
Base-Base interactions energy: -58.769
where: short stacking energy: -51.983
Base-Backbone interact. energy: -0.163
local terms energy: -106.511850
where:
bonds (distance) C4'-P energy: -24.560
bonds (distance) P-C4' energy: -37.629
flat angles C4'-P-C4' energy: -27.717
flat angles P-C4'-P energy: -13.742
tors. eta vs tors. theta energy: -2.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -604.646918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.646918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.646918 (E_RNA)
where:
Base-Base interactions energy: -423.538
where: short stacking energy: -165.352
Base-Backbone interact. energy: -2.683
local terms energy: -178.425799
where:
bonds (distance) C4'-P energy: -31.193
bonds (distance) P-C4' energy: -35.750
flat angles C4'-P-C4' energy: -39.044
flat angles P-C4'-P energy: -26.608
tors. eta vs tors. theta energy: -45.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -579.491038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.491038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.491038 (E_RNA)
where:
Base-Base interactions energy: -399.554
where: short stacking energy: -168.362
Base-Backbone interact. energy: -1.658
local terms energy: -178.279618
where:
bonds (distance) C4'-P energy: -39.487
bonds (distance) P-C4' energy: -38.801
flat angles C4'-P-C4' energy: -37.433
flat angles P-C4'-P energy: -20.523
tors. eta vs tors. theta energy: -42.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -540.140081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.140081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.140081 (E_RNA)
where:
Base-Base interactions energy: -362.966
where: short stacking energy: -169.060
Base-Backbone interact. energy: -1.419
local terms energy: -175.755419
where:
bonds (distance) C4'-P energy: -32.816
bonds (distance) P-C4' energy: -34.772
flat angles C4'-P-C4' energy: -32.031
flat angles P-C4'-P energy: -26.714
tors. eta vs tors. theta energy: -49.422
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: 9
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -536.185927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.185927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.185927 (E_RNA)
where:
Base-Base interactions energy: -369.739
where: short stacking energy: -161.241
Base-Backbone interact. energy: 0.116
local terms energy: -166.563816
where:
bonds (distance) C4'-P energy: -31.335
bonds (distance) P-C4' energy: -31.846
flat angles C4'-P-C4' energy: -34.767
flat angles P-C4'-P energy: -25.747
tors. eta vs tors. theta energy: -42.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -533.904355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.904355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.904355 (E_RNA)
where:
Base-Base interactions energy: -368.665
where: short stacking energy: -150.500
Base-Backbone interact. energy: -0.900
local terms energy: -164.338970
where:
bonds (distance) C4'-P energy: -33.366
bonds (distance) P-C4' energy: -35.652
flat angles C4'-P-C4' energy: -32.649
flat angles P-C4'-P energy: -21.791
tors. eta vs tors. theta energy: -40.880
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: 4
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -418.570782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.570782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.570782 (E_RNA)
where:
Base-Base interactions energy: -297.535
where: short stacking energy: -114.164
Base-Backbone interact. energy: 3.085
local terms energy: -124.120577
where:
bonds (distance) C4'-P energy: -29.713
bonds (distance) P-C4' energy: -26.904
flat angles C4'-P-C4' energy: -28.223
flat angles P-C4'-P energy: -18.063
tors. eta vs tors. theta energy: -21.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -366.555648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.555648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.555648 (E_RNA)
where:
Base-Base interactions energy: -226.216
where: short stacking energy: -104.066
Base-Backbone interact. energy: -0.924
local terms energy: -139.415423
where:
bonds (distance) C4'-P energy: -30.635
bonds (distance) P-C4' energy: -32.277
flat angles C4'-P-C4' energy: -33.933
flat angles P-C4'-P energy: -24.171
tors. eta vs tors. theta energy: -18.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -361.960526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.960526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.960526 (E_RNA)
where:
Base-Base interactions energy: -246.431
where: short stacking energy: -112.945
Base-Backbone interact. energy: 0.176
local terms energy: -115.705266
where:
bonds (distance) C4'-P energy: -24.525
bonds (distance) P-C4' energy: -25.435
flat angles C4'-P-C4' energy: -26.887
flat angles P-C4'-P energy: -15.265
tors. eta vs tors. theta energy: -23.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -245.055739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.055739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.055739 (E_RNA)
where:
Base-Base interactions energy: -128.741
where: short stacking energy: -78.255
Base-Backbone interact. energy: 0.495
local terms energy: -116.809682
where:
bonds (distance) C4'-P energy: -27.410
bonds (distance) P-C4' energy: -29.698
flat angles C4'-P-C4' energy: -29.333
flat angles P-C4'-P energy: -22.102
tors. eta vs tors. theta energy: -8.267
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: 7
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -162.368386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.368386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.368386 (E_RNA)
where:
Base-Base interactions energy: -66.750
where: short stacking energy: -54.711
Base-Backbone interact. energy: 0.811
local terms energy: -96.430003
where:
bonds (distance) C4'-P energy: -27.128
bonds (distance) P-C4' energy: -30.709
flat angles C4'-P-C4' energy: -31.964
flat angles P-C4'-P energy: -2.437
tors. eta vs tors. theta energy: -4.192
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: 1, replica: 2
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -617.920552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.920552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.920552 (E_RNA)
where:
Base-Base interactions energy: -426.546
where: short stacking energy: -183.336
Base-Backbone interact. energy: -1.509
local terms energy: -189.865811
where:
bonds (distance) C4'-P energy: -30.800
bonds (distance) P-C4' energy: -38.340
flat angles C4'-P-C4' energy: -42.366
flat angles P-C4'-P energy: -27.580
tors. eta vs tors. theta energy: -50.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -580.928725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.928725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.928725 (E_RNA)
where:
Base-Base interactions energy: -393.525
where: short stacking energy: -171.053
Base-Backbone interact. energy: -0.955
local terms energy: -186.448658
where:
bonds (distance) C4'-P energy: -33.926
bonds (distance) P-C4' energy: -41.073
flat angles C4'-P-C4' energy: -40.460
flat angles P-C4'-P energy: -23.609
tors. eta vs tors. theta energy: -47.380
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: 44
Temperature: 1.000000
Total energy: -561.110884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.110884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.110884 (E_RNA)
where:
Base-Base interactions energy: -378.567
where: short stacking energy: -169.024
Base-Backbone interact. energy: -0.549
local terms energy: -181.994677
where:
bonds (distance) C4'-P energy: -30.064
bonds (distance) P-C4' energy: -40.027
flat angles C4'-P-C4' energy: -40.068
flat angles P-C4'-P energy: -25.952
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: 4, replica: 8
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -548.357344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.357344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.357344 (E_RNA)
where:
Base-Base interactions energy: -367.304
where: short stacking energy: -161.776
Base-Backbone interact. energy: 3.872
local terms energy: -184.925784
where:
bonds (distance) C4'-P energy: -34.569
bonds (distance) P-C4' energy: -38.946
flat angles C4'-P-C4' energy: -32.710
flat angles P-C4'-P energy: -29.833
tors. eta vs tors. theta energy: -48.868
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: 5, replica: 3
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -528.575813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.575813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.575813 (E_RNA)
where:
Base-Base interactions energy: -366.235
where: short stacking energy: -158.226
Base-Backbone interact. energy: 0.129
local terms energy: -162.470205
where:
bonds (distance) C4'-P energy: -32.394
bonds (distance) P-C4' energy: -34.251
flat angles C4'-P-C4' energy: -35.765
flat angles P-C4'-P energy: -22.152
tors. eta vs tors. theta energy: -37.907
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: 6, replica: 4
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -410.412152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.412152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.412152 (E_RNA)
where:
Base-Base interactions energy: -282.532
where: short stacking energy: -105.692
Base-Backbone interact. energy: -0.831
local terms energy: -127.048623
where:
bonds (distance) C4'-P energy: -25.985
bonds (distance) P-C4' energy: -31.913
flat angles C4'-P-C4' energy: -36.456
flat angles P-C4'-P energy: -20.872
tors. eta vs tors. theta energy: -11.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -418.698200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.698200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.698200 (E_RNA)
where:
Base-Base interactions energy: -273.304
where: short stacking energy: -133.096
Base-Backbone interact. energy: -0.288
local terms energy: -145.106239
where:
bonds (distance) C4'-P energy: -24.481
bonds (distance) P-C4' energy: -38.546
flat angles C4'-P-C4' energy: -27.969
flat angles P-C4'-P energy: -17.850
tors. eta vs tors. theta energy: -36.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -372.211316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.211316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.211316 (E_RNA)
where:
Base-Base interactions energy: -234.484
where: short stacking energy: -93.268
Base-Backbone interact. energy: -1.869
local terms energy: -135.858925
where:
bonds (distance) C4'-P energy: -32.387
bonds (distance) P-C4' energy: -33.724
flat angles C4'-P-C4' energy: -30.857
flat angles P-C4'-P energy: -20.464
tors. eta vs tors. theta energy: -18.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -229.119286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.119286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.119286 (E_RNA)
where:
Base-Base interactions energy: -128.789
where: short stacking energy: -64.309
Base-Backbone interact. energy: 1.843
local terms energy: -102.172795
where:
bonds (distance) C4'-P energy: -35.954
bonds (distance) P-C4' energy: -24.877
flat angles C4'-P-C4' energy: -30.646
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -1.109
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: 7
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -187.546396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.546396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.546396 (E_RNA)
where:
Base-Base interactions energy: -92.471
where: short stacking energy: -60.638
Base-Backbone interact. energy: -0.687
local terms energy: -94.387956
where:
bonds (distance) C4'-P energy: -24.329
bonds (distance) P-C4' energy: -28.068
flat angles C4'-P-C4' energy: -27.499
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -5.658
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: 45
Temperature: 0.900000
Total energy: -612.580273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.580273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.580273 (E_RNA)
where:
Base-Base interactions energy: -432.553
where: short stacking energy: -172.443
Base-Backbone interact. energy: 0.043
local terms energy: -180.069992
where:
bonds (distance) C4'-P energy: -32.884
bonds (distance) P-C4' energy: -34.044
flat angles C4'-P-C4' energy: -34.656
flat angles P-C4'-P energy: -30.189
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: 2, replica: 1
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -577.212995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.212995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.212995 (E_RNA)
where:
Base-Base interactions energy: -407.187
where: short stacking energy: -168.933
Base-Backbone interact. energy: -0.952
local terms energy: -169.074418
where:
bonds (distance) C4'-P energy: -29.519
bonds (distance) P-C4' energy: -33.207
flat angles C4'-P-C4' energy: -36.858
flat angles P-C4'-P energy: -21.081
tors. eta vs tors. theta energy: -48.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -543.571819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.571819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.571819 (E_RNA)
where:
Base-Base interactions energy: -375.337
where: short stacking energy: -164.625
Base-Backbone interact. energy: -0.074
local terms energy: -168.160303
where:
bonds (distance) C4'-P energy: -24.725
bonds (distance) P-C4' energy: -38.396
flat angles C4'-P-C4' energy: -35.354
flat angles P-C4'-P energy: -26.587
tors. eta vs tors. theta energy: -43.098
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: 4, replica: 3
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -539.333574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.333574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.333574 (E_RNA)
where:
Base-Base interactions energy: -366.511
where: short stacking energy: -164.880
Base-Backbone interact. energy: -0.899
local terms energy: -171.922802
where:
bonds (distance) C4'-P energy: -34.547
bonds (distance) P-C4' energy: -35.033
flat angles C4'-P-C4' energy: -36.864
flat angles P-C4'-P energy: -20.592
tors. eta vs tors. theta energy: -44.887
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: 8
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -525.635836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.635836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.635836 (E_RNA)
where:
Base-Base interactions energy: -373.011
where: short stacking energy: -166.930
Base-Backbone interact. energy: -2.347
local terms energy: -150.277731
where:
bonds (distance) C4'-P energy: -18.382
bonds (distance) P-C4' energy: -28.588
flat angles C4'-P-C4' energy: -32.535
flat angles P-C4'-P energy: -23.372
tors. eta vs tors. theta energy: -47.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -426.623433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.623433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.623433 (E_RNA)
where:
Base-Base interactions energy: -280.215
where: short stacking energy: -126.353
Base-Backbone interact. energy: -1.394
local terms energy: -145.014441
where:
bonds (distance) C4'-P energy: -32.600
bonds (distance) P-C4' energy: -32.195
flat angles C4'-P-C4' energy: -27.277
flat angles P-C4'-P energy: -22.506
tors. eta vs tors. theta energy: -30.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -405.988457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.988457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.988457 (E_RNA)
where:
Base-Base interactions energy: -281.400
where: short stacking energy: -104.400
Base-Backbone interact. energy: -0.288
local terms energy: -124.300298
where:
bonds (distance) C4'-P energy: -31.020
bonds (distance) P-C4' energy: -27.167
flat angles C4'-P-C4' energy: -33.126
flat angles P-C4'-P energy: -14.152
tors. eta vs tors. theta energy: -18.836
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: 6
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -330.574765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.574765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.574765 (E_RNA)
where:
Base-Base interactions energy: -204.487
where: short stacking energy: -96.597
Base-Backbone interact. energy: -0.067
local terms energy: -126.021247
where:
bonds (distance) C4'-P energy: -23.405
bonds (distance) P-C4' energy: -32.862
flat angles C4'-P-C4' energy: -31.543
flat angles P-C4'-P energy: -17.950
tors. eta vs tors. theta energy: -20.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -231.495629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.495629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.495629 (E_RNA)
where:
Base-Base interactions energy: -104.456
where: short stacking energy: -57.504
Base-Backbone interact. energy: -0.515
local terms energy: -126.524665
where:
bonds (distance) C4'-P energy: -30.717
bonds (distance) P-C4' energy: -38.376
flat angles C4'-P-C4' energy: -31.214
flat angles P-C4'-P energy: -14.884
tors. eta vs tors. theta energy: -11.334
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: 7
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -179.204872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.204872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.204872 (E_RNA)
where:
Base-Base interactions energy: -88.759
where: short stacking energy: -48.197
Base-Backbone interact. energy: -1.801
local terms energy: -88.645406
where:
bonds (distance) C4'-P energy: -19.952
bonds (distance) P-C4' energy: -33.775
flat angles C4'-P-C4' energy: -23.289
flat angles P-C4'-P energy: -13.660
tors. eta vs tors. theta energy: 2.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -622.127781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.127781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.127781 (E_RNA)
where:
Base-Base interactions energy: -440.239
where: short stacking energy: -175.274
Base-Backbone interact. energy: -0.301
local terms energy: -181.587674
where:
bonds (distance) C4'-P energy: -34.224
bonds (distance) P-C4' energy: -36.301
flat angles C4'-P-C4' energy: -38.726
flat angles P-C4'-P energy: -26.238
tors. eta vs tors. theta energy: -46.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -583.448394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.448394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.448394 (E_RNA)
where:
Base-Base interactions energy: -406.725
where: short stacking energy: -177.795
Base-Backbone interact. energy: -0.730
local terms energy: -175.993209
where:
bonds (distance) C4'-P energy: -34.108
bonds (distance) P-C4' energy: -37.888
flat angles C4'-P-C4' energy: -29.859
flat angles P-C4'-P energy: -26.390
tors. eta vs tors. theta energy: -47.748
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: 3
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -554.810951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.810951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.810951 (E_RNA)
where:
Base-Base interactions energy: -382.603
where: short stacking energy: -186.520
Base-Backbone interact. energy: 1.675
local terms energy: -173.882818
where:
bonds (distance) C4'-P energy: -34.127
bonds (distance) P-C4' energy: -34.850
flat angles C4'-P-C4' energy: -38.014
flat angles P-C4'-P energy: -24.029
tors. eta vs tors. theta energy: -42.862
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: 9
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -507.766676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.766676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.766676 (E_RNA)
where:
Base-Base interactions energy: -338.302
where: short stacking energy: -161.389
Base-Backbone interact. energy: -0.243
local terms energy: -169.220951
where:
bonds (distance) C4'-P energy: -28.406
bonds (distance) P-C4' energy: -38.680
flat angles C4'-P-C4' energy: -36.486
flat angles P-C4'-P energy: -24.532
tors. eta vs tors. theta energy: -41.117
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: 5
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -465.389915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.389915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.389915 (E_RNA)
where:
Base-Base interactions energy: -314.290
where: short stacking energy: -137.020
Base-Backbone interact. energy: -0.355
local terms energy: -150.744974
where:
bonds (distance) C4'-P energy: -31.831
bonds (distance) P-C4' energy: -28.537
flat angles C4'-P-C4' energy: -28.558
flat angles P-C4'-P energy: -28.510
tors. eta vs tors. theta energy: -33.309
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: 6, replica: 8
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -470.645589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.645589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.645589 (E_RNA)
where:
Base-Base interactions energy: -317.959
where: short stacking energy: -151.816
Base-Backbone interact. energy: -1.956
local terms energy: -150.730437
where:
bonds (distance) C4'-P energy: -32.127
bonds (distance) P-C4' energy: -29.798
flat angles C4'-P-C4' energy: -32.605
flat angles P-C4'-P energy: -17.318
tors. eta vs tors. theta energy: -38.882
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: 7, replica: 4
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -390.213361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.213361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.213361 (E_RNA)
where:
Base-Base interactions energy: -260.486
where: short stacking energy: -94.295
Base-Backbone interact. energy: -0.630
local terms energy: -129.097631
where:
bonds (distance) C4'-P energy: -34.194
bonds (distance) P-C4' energy: -36.437
flat angles C4'-P-C4' energy: -30.972
flat angles P-C4'-P energy: -18.330
tors. eta vs tors. theta energy: -9.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -361.502128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.502128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.502128 (E_RNA)
where:
Base-Base interactions energy: -228.413
where: short stacking energy: -112.520
Base-Backbone interact. energy: -0.918
local terms energy: -132.170845
where:
bonds (distance) C4'-P energy: -25.291
bonds (distance) P-C4' energy: -33.480
flat angles C4'-P-C4' energy: -29.012
flat angles P-C4'-P energy: -19.405
tors. eta vs tors. theta energy: -24.983
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: 9, replica: 10
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -255.084743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.084743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.084743 (E_RNA)
where:
Base-Base interactions energy: -137.503
where: short stacking energy: -71.446
Base-Backbone interact. energy: -0.647
local terms energy: -116.934399
where:
bonds (distance) C4'-P energy: -28.606
bonds (distance) P-C4' energy: -30.344
flat angles C4'-P-C4' energy: -28.461
flat angles P-C4'-P energy: -18.383
tors. eta vs tors. theta energy: -11.141
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: 7
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -157.803032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.803032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.803032 (E_RNA)
where:
Base-Base interactions energy: -59.297
where: short stacking energy: -45.806
Base-Backbone interact. energy: 0.935
local terms energy: -99.441298
where:
bonds (distance) C4'-P energy: -28.250
bonds (distance) P-C4' energy: -32.355
flat angles C4'-P-C4' energy: -24.918
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: -0.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -618.959058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.959058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.959058 (E_RNA)
where:
Base-Base interactions energy: -431.903
where: short stacking energy: -185.198
Base-Backbone interact. energy: -2.445
local terms energy: -184.611265
where:
bonds (distance) C4'-P energy: -36.121
bonds (distance) P-C4' energy: -36.947
flat angles C4'-P-C4' energy: -36.766
flat angles P-C4'-P energy: -27.504
tors. eta vs tors. theta energy: -47.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -570.644302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.644302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.644302 (E_RNA)
where:
Base-Base interactions energy: -392.067
where: short stacking energy: -166.332
Base-Backbone interact. energy: -0.406
local terms energy: -178.170936
where:
bonds (distance) C4'-P energy: -33.473
bonds (distance) P-C4' energy: -33.417
flat angles C4'-P-C4' energy: -35.947
flat angles P-C4'-P energy: -26.725
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: 3
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -532.931625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.931625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.931625 (E_RNA)
where:
Base-Base interactions energy: -361.703
where: short stacking energy: -162.258
Base-Backbone interact. energy: 0.804
local terms energy: -172.032686
where:
bonds (distance) C4'-P energy: -30.627
bonds (distance) P-C4' energy: -35.796
flat angles C4'-P-C4' energy: -32.733
flat angles P-C4'-P energy: -26.081
tors. eta vs tors. theta energy: -46.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -511.680365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.680365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.680365 (E_RNA)
where:
Base-Base interactions energy: -346.349
where: short stacking energy: -149.288
Base-Backbone interact. energy: -0.089
local terms energy: -165.241864
where:
bonds (distance) C4'-P energy: -35.091
bonds (distance) P-C4' energy: -30.946
flat angles C4'-P-C4' energy: -36.850
flat angles P-C4'-P energy: -25.319
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: 5, replica: 5
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -470.695214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.695214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.695214 (E_RNA)
where:
Base-Base interactions energy: -311.264
where: short stacking energy: -137.700
Base-Backbone interact. energy: -0.790
local terms energy: -158.640964
where:
bonds (distance) C4'-P energy: -35.466
bonds (distance) P-C4' energy: -27.976
flat angles C4'-P-C4' energy: -36.902
flat angles P-C4'-P energy: -25.777
tors. eta vs tors. theta energy: -32.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -493.036026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.036026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.036026 (E_RNA)
where:
Base-Base interactions energy: -340.299
where: short stacking energy: -141.427
Base-Backbone interact. energy: -0.056
local terms energy: -152.680923
where:
bonds (distance) C4'-P energy: -31.672
bonds (distance) P-C4' energy: -30.679
flat angles C4'-P-C4' energy: -34.963
flat angles P-C4'-P energy: -17.108
tors. eta vs tors. theta energy: -38.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -366.745065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.745065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.745065 (E_RNA)
where:
Base-Base interactions energy: -251.714
where: short stacking energy: -94.678
Base-Backbone interact. energy: 0.567
local terms energy: -115.598271
where:
bonds (distance) C4'-P energy: -33.306
bonds (distance) P-C4' energy: -36.480
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -15.145
tors. eta vs tors. theta energy: -15.541
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: 6
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -367.034851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.034851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.034851 (E_RNA)
where:
Base-Base interactions energy: -242.868
where: short stacking energy: -95.595
Base-Backbone interact. energy: -1.366
local terms energy: -122.800815
where:
bonds (distance) C4'-P energy: -27.125
bonds (distance) P-C4' energy: -32.157
flat angles C4'-P-C4' energy: -34.394
flat angles P-C4'-P energy: -15.902
tors. eta vs tors. theta energy: -13.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -243.111204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.111204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.111204 (E_RNA)
where:
Base-Base interactions energy: -124.784
where: short stacking energy: -73.547
Base-Backbone interact. energy: 0.903
local terms energy: -119.230345
where:
bonds (distance) C4'-P energy: -35.461
bonds (distance) P-C4' energy: -41.602
flat angles C4'-P-C4' energy: -23.405
flat angles P-C4'-P energy: -17.581
tors. eta vs tors. theta energy: -1.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -221.596483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.596483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.596483 (E_RNA)
where:
Base-Base interactions energy: -107.815
where: short stacking energy: -74.718
Base-Backbone interact. energy: 0.734
local terms energy: -114.515331
where:
bonds (distance) C4'-P energy: -26.541
bonds (distance) P-C4' energy: -32.445
flat angles C4'-P-C4' energy: -29.753
flat angles P-C4'-P energy: -14.716
tors. eta vs tors. theta energy: -11.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -611.102308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.102308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.102308 (E_RNA)
where:
Base-Base interactions energy: -438.965
where: short stacking energy: -164.074
Base-Backbone interact. energy: -1.082
local terms energy: -171.055284
where:
bonds (distance) C4'-P energy: -26.848
bonds (distance) P-C4' energy: -39.192
flat angles C4'-P-C4' energy: -41.684
flat angles P-C4'-P energy: -15.958
tors. eta vs tors. theta energy: -47.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -557.335592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.335592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.335592 (E_RNA)
where:
Base-Base interactions energy: -395.478
where: short stacking energy: -166.704
Base-Backbone interact. energy: 0.778
local terms energy: -162.635598
where:
bonds (distance) C4'-P energy: -32.542
bonds (distance) P-C4' energy: -36.784
flat angles C4'-P-C4' energy: -34.571
flat angles P-C4'-P energy: -15.731
tors. eta vs tors. theta energy: -43.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -542.287053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.287053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.287053 (E_RNA)
where:
Base-Base interactions energy: -370.994
where: short stacking energy: -161.405
Base-Backbone interact. energy: -0.640
local terms energy: -170.652999
where:
bonds (distance) C4'-P energy: -32.664
bonds (distance) P-C4' energy: -37.984
flat angles C4'-P-C4' energy: -35.884
flat angles P-C4'-P energy: -23.504
tors. eta vs tors. theta energy: -40.617
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: 3
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -522.802599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.802599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.802599 (E_RNA)
where:
Base-Base interactions energy: -354.378
where: short stacking energy: -153.042
Base-Backbone interact. energy: -0.140
local terms energy: -168.285034
where:
bonds (distance) C4'-P energy: -30.343
bonds (distance) P-C4' energy: -36.740
flat angles C4'-P-C4' energy: -35.534
flat angles P-C4'-P energy: -25.905
tors. eta vs tors. theta energy: -39.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -516.596587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.596587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.596587 (E_RNA)
where:
Base-Base interactions energy: -358.450
where: short stacking energy: -138.881
Base-Backbone interact. energy: -0.351
local terms energy: -157.795206
where:
bonds (distance) C4'-P energy: -27.329
bonds (distance) P-C4' energy: -36.096
flat angles C4'-P-C4' energy: -37.791
flat angles P-C4'-P energy: -23.787
tors. eta vs tors. theta energy: -32.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -429.607098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.607098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.607098 (E_RNA)
where:
Base-Base interactions energy: -300.298
where: short stacking energy: -125.190
Base-Backbone interact. energy: -0.164
local terms energy: -129.144859
where:
bonds (distance) C4'-P energy: -31.911
bonds (distance) P-C4' energy: -32.732
flat angles C4'-P-C4' energy: -25.358
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -28.100
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: 4
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -401.005964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.005964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.005964 (E_RNA)
where:
Base-Base interactions energy: -276.340
where: short stacking energy: -116.061
Base-Backbone interact. energy: -0.020
local terms energy: -124.646024
where:
bonds (distance) C4'-P energy: -30.466
bonds (distance) P-C4' energy: -29.464
flat angles C4'-P-C4' energy: -33.212
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -20.450
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: 6
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -308.977712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.977712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.977712 (E_RNA)
where:
Base-Base interactions energy: -199.763
where: short stacking energy: -104.732
Base-Backbone interact. energy: -0.648
local terms energy: -108.566657
where:
bonds (distance) C4'-P energy: -26.478
bonds (distance) P-C4' energy: -26.777
flat angles C4'-P-C4' energy: -24.288
flat angles P-C4'-P energy: -17.318
tors. eta vs tors. theta energy: -13.705
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: 7
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -257.400478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.400478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.400478 (E_RNA)
where:
Base-Base interactions energy: -150.031
where: short stacking energy: -84.749
Base-Backbone interact. energy: 0.134
local terms energy: -107.502824
where:
bonds (distance) C4'-P energy: -26.705
bonds (distance) P-C4' energy: -28.010
flat angles C4'-P-C4' energy: -35.155
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -8.988
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: 10, replica: 10
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -234.731671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.731671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.731671 (E_RNA)
where:
Base-Base interactions energy: -113.844
where: short stacking energy: -53.917
Base-Backbone interact. energy: -2.821
local terms energy: -118.067271
where:
bonds (distance) C4'-P energy: -28.649
bonds (distance) P-C4' energy: -33.242
flat angles C4'-P-C4' energy: -27.787
flat angles P-C4'-P energy: -22.588
tors. eta vs tors. theta energy: -5.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -615.195998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.195998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.195998 (E_RNA)
where:
Base-Base interactions energy: -439.167
where: short stacking energy: -186.968
Base-Backbone interact. energy: -1.598
local terms energy: -174.431062
where:
bonds (distance) C4'-P energy: -31.945
bonds (distance) P-C4' energy: -28.454
flat angles C4'-P-C4' energy: -38.441
flat angles P-C4'-P energy: -27.910
tors. eta vs tors. theta energy: -47.681
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: 1
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -588.089689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.089689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.089689 (E_RNA)
where:
Base-Base interactions energy: -413.426
where: short stacking energy: -164.355
Base-Backbone interact. energy: -1.094
local terms energy: -173.570337
where:
bonds (distance) C4'-P energy: -37.359
bonds (distance) P-C4' energy: -32.143
flat angles C4'-P-C4' energy: -38.152
flat angles P-C4'-P energy: -27.708
tors. eta vs tors. theta energy: -38.209
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: 9
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -529.662646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.662646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.662646 (E_RNA)
where:
Base-Base interactions energy: -362.226
where: short stacking energy: -161.147
Base-Backbone interact. energy: -0.149
local terms energy: -167.287781
where:
bonds (distance) C4'-P energy: -28.975
bonds (distance) P-C4' energy: -32.029
flat angles C4'-P-C4' energy: -35.928
flat angles P-C4'-P energy: -22.872
tors. eta vs tors. theta energy: -47.484
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: 3
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -533.888135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.888135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.888135 (E_RNA)
where:
Base-Base interactions energy: -355.347
where: short stacking energy: -159.613
Base-Backbone interact. energy: -1.022
local terms energy: -177.519047
where:
bonds (distance) C4'-P energy: -36.269
bonds (distance) P-C4' energy: -30.742
flat angles C4'-P-C4' energy: -38.921
flat angles P-C4'-P energy: -25.428
tors. eta vs tors. theta energy: -46.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -519.802013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.802013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.802013 (E_RNA)
where:
Base-Base interactions energy: -343.026
where: short stacking energy: -150.268
Base-Backbone interact. energy: -0.407
local terms energy: -176.369264
where:
bonds (distance) C4'-P energy: -31.797
bonds (distance) P-C4' energy: -31.713
flat angles C4'-P-C4' energy: -39.068
flat angles P-C4'-P energy: -27.159
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: 6, replica: 4
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -443.791268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.791268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.791268 (E_RNA)
where:
Base-Base interactions energy: -303.828
where: short stacking energy: -123.313
Base-Backbone interact. energy: -2.120
local terms energy: -137.843564
where:
bonds (distance) C4'-P energy: -34.750
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -33.627
flat angles P-C4'-P energy: -21.429
tors. eta vs tors. theta energy: -30.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -426.323927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.323927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.323927 (E_RNA)
where:
Base-Base interactions energy: -290.254
where: short stacking energy: -130.828
Base-Backbone interact. energy: -0.878
local terms energy: -135.191868
where:
bonds (distance) C4'-P energy: -28.524
bonds (distance) P-C4' energy: -27.402
flat angles C4'-P-C4' energy: -32.137
flat angles P-C4'-P energy: -15.148
tors. eta vs tors. theta energy: -31.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -312.598053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.598053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.598053 (E_RNA)
where:
Base-Base interactions energy: -181.981
where: short stacking energy: -99.415
Base-Backbone interact. energy: -0.218
local terms energy: -130.398809
where:
bonds (distance) C4'-P energy: -29.888
bonds (distance) P-C4' energy: -31.474
flat angles C4'-P-C4' energy: -29.818
flat angles P-C4'-P energy: -21.013
tors. eta vs tors. theta energy: -18.206
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: 7
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -266.510063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.510063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.510063 (E_RNA)
where:
Base-Base interactions energy: -153.617
where: short stacking energy: -82.366
Base-Backbone interact. energy: -0.527
local terms energy: -112.366001
where:
bonds (distance) C4'-P energy: -29.883
bonds (distance) P-C4' energy: -32.784
flat angles C4'-P-C4' energy: -28.445
flat angles P-C4'-P energy: -19.436
tors. eta vs tors. theta energy: -1.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -239.312485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.312485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.312485 (E_RNA)
where:
Base-Base interactions energy: -131.429
where: short stacking energy: -75.337
Base-Backbone interact. energy: -0.629
local terms energy: -107.254407
where:
bonds (distance) C4'-P energy: -26.438
bonds (distance) P-C4' energy: -26.139
flat angles C4'-P-C4' energy: -31.464
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -11.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -601.686339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.686339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.686339 (E_RNA)
where:
Base-Base interactions energy: -426.065
where: short stacking energy: -179.859
Base-Backbone interact. energy: -1.359
local terms energy: -174.262215
where:
bonds (distance) C4'-P energy: -34.106
bonds (distance) P-C4' energy: -33.531
flat angles C4'-P-C4' energy: -36.596
flat angles P-C4'-P energy: -27.101
tors. eta vs tors. theta energy: -42.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -600.310737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.310737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.310737 (E_RNA)
where:
Base-Base interactions energy: -423.856
where: short stacking energy: -161.605
Base-Backbone interact. energy: -1.410
local terms energy: -175.045261
where:
bonds (distance) C4'-P energy: -30.821
bonds (distance) P-C4' energy: -38.481
flat angles C4'-P-C4' energy: -39.182
flat angles P-C4'-P energy: -25.814
tors. eta vs tors. theta energy: -40.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -558.887016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.887016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.887016 (E_RNA)
where:
Base-Base interactions energy: -392.248
where: short stacking energy: -177.156
Base-Backbone interact. energy: -0.583
local terms energy: -166.055816
where:
bonds (distance) C4'-P energy: -29.117
bonds (distance) P-C4' energy: -27.794
flat angles C4'-P-C4' energy: -37.683
flat angles P-C4'-P energy: -23.250
tors. eta vs tors. theta energy: -48.212
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: 9
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -518.918230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.918230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.918230 (E_RNA)
where:
Base-Base interactions energy: -354.479
where: short stacking energy: -155.508
Base-Backbone interact. energy: 0.182
local terms energy: -164.620868
where:
bonds (distance) C4'-P energy: -33.148
bonds (distance) P-C4' energy: -32.244
flat angles C4'-P-C4' energy: -36.517
flat angles P-C4'-P energy: -23.591
tors. eta vs tors. theta energy: -39.120
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: 8
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -500.486930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.486930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.486930 (E_RNA)
where:
Base-Base interactions energy: -347.315
where: short stacking energy: -143.117
Base-Backbone interact. energy: 1.948
local terms energy: -155.120150
where:
bonds (distance) C4'-P energy: -35.398
bonds (distance) P-C4' energy: -23.308
flat angles C4'-P-C4' energy: -30.617
flat angles P-C4'-P energy: -28.108
tors. eta vs tors. theta energy: -37.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -446.350129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.350129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.350129 (E_RNA)
where:
Base-Base interactions energy: -302.867
where: short stacking energy: -113.270
Base-Backbone interact. energy: -0.328
local terms energy: -143.155059
where:
bonds (distance) C4'-P energy: -37.695
bonds (distance) P-C4' energy: -38.207
flat angles C4'-P-C4' energy: -31.765
flat angles P-C4'-P energy: -20.684
tors. eta vs tors. theta energy: -14.804
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: 50
Temperature: 1.200000
Total energy: -450.071270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.071270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.071270 (E_RNA)
where:
Base-Base interactions energy: -297.559
where: short stacking energy: -136.575
Base-Backbone interact. energy: -1.058
local terms energy: -151.454424
where:
bonds (distance) C4'-P energy: -21.771
bonds (distance) P-C4' energy: -34.858
flat angles C4'-P-C4' energy: -35.824
flat angles P-C4'-P energy: -22.538
tors. eta vs tors. theta energy: -36.463
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: 6
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -311.599224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.599224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.599224 (E_RNA)
where:
Base-Base interactions energy: -173.195
where: short stacking energy: -78.372
Base-Backbone interact. energy: -2.173
local terms energy: -136.231267
where:
bonds (distance) C4'-P energy: -32.879
bonds (distance) P-C4' energy: -35.232
flat angles C4'-P-C4' energy: -36.620
flat angles P-C4'-P energy: -20.763
tors. eta vs tors. theta energy: -10.738
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: 10
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -242.718048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.718048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.718048 (E_RNA)
where:
Base-Base interactions energy: -142.634
where: short stacking energy: -61.576
Base-Backbone interact. energy: 1.729
local terms energy: -101.813474
where:
bonds (distance) C4'-P energy: -21.088
bonds (distance) P-C4' energy: -38.836
flat angles C4'-P-C4' energy: -20.497
flat angles P-C4'-P energy: -17.734
tors. eta vs tors. theta energy: -3.659
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: 10, replica: 7
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -224.427710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.427710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.427710 (E_RNA)
where:
Base-Base interactions energy: -127.328
where: short stacking energy: -70.082
Base-Backbone interact. energy: 0.585
local terms energy: -97.685243
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -34.983
flat angles C4'-P-C4' energy: -33.541
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -4.803
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: 1, replica: 1
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -597.874234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.874234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.874234 (E_RNA)
where:
Base-Base interactions energy: -430.161
where: short stacking energy: -170.283
Base-Backbone interact. energy: 4.746
local terms energy: -172.458792
where:
bonds (distance) C4'-P energy: -29.972
bonds (distance) P-C4' energy: -36.374
flat angles C4'-P-C4' energy: -38.416
flat angles P-C4'-P energy: -24.860
tors. eta vs tors. theta energy: -42.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -600.252739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.252739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.252739 (E_RNA)
where:
Base-Base interactions energy: -424.585
where: short stacking energy: -167.656
Base-Backbone interact. energy: 1.604
local terms energy: -177.271237
where:
bonds (distance) C4'-P energy: -38.234
bonds (distance) P-C4' energy: -37.958
flat angles C4'-P-C4' energy: -30.969
flat angles P-C4'-P energy: -24.916
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: 3, replica: 3
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -568.732147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.732147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.732147 (E_RNA)
where:
Base-Base interactions energy: -387.708
where: short stacking energy: -171.195
Base-Backbone interact. energy: -0.759
local terms energy: -180.265025
where:
bonds (distance) C4'-P energy: -33.337
bonds (distance) P-C4' energy: -36.815
flat angles C4'-P-C4' energy: -37.990
flat angles P-C4'-P energy: -25.355
tors. eta vs tors. theta energy: -46.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -509.454207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.454207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.454207 (E_RNA)
where:
Base-Base interactions energy: -345.037
where: short stacking energy: -132.998
Base-Backbone interact. energy: -1.143
local terms energy: -163.273885
where:
bonds (distance) C4'-P energy: -27.541
bonds (distance) P-C4' energy: -34.132
flat angles C4'-P-C4' energy: -33.434
flat angles P-C4'-P energy: -26.105
tors. eta vs tors. theta energy: -42.062
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: 9
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -511.607648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.607648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.607648 (E_RNA)
where:
Base-Base interactions energy: -350.110
where: short stacking energy: -163.931
Base-Backbone interact. energy: -0.034
local terms energy: -161.463033
where:
bonds (distance) C4'-P energy: -27.307
bonds (distance) P-C4' energy: -26.027
flat angles C4'-P-C4' energy: -35.673
flat angles P-C4'-P energy: -26.527
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: 5
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -463.328261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.328261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.328261 (E_RNA)
where:
Base-Base interactions energy: -297.329
where: short stacking energy: -142.281
Base-Backbone interact. energy: -0.327
local terms energy: -165.672536
where:
bonds (distance) C4'-P energy: -35.217
bonds (distance) P-C4' energy: -34.066
flat angles C4'-P-C4' energy: -35.382
flat angles P-C4'-P energy: -19.210
tors. eta vs tors. theta energy: -41.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -430.320895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.320895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.320895 (E_RNA)
where:
Base-Base interactions energy: -283.396
where: short stacking energy: -105.989
Base-Backbone interact. energy: -2.878
local terms energy: -144.047508
where:
bonds (distance) C4'-P energy: -30.971
bonds (distance) P-C4' energy: -28.877
flat angles C4'-P-C4' energy: -32.766
flat angles P-C4'-P energy: -20.323
tors. eta vs tors. theta energy: -31.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -341.477183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.477183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.477183 (E_RNA)
where:
Base-Base interactions energy: -203.329
where: short stacking energy: -97.262
Base-Backbone interact. energy: -0.354
local terms energy: -137.794490
where:
bonds (distance) C4'-P energy: -32.155
bonds (distance) P-C4' energy: -36.612
flat angles C4'-P-C4' energy: -26.663
flat angles P-C4'-P energy: -16.537
tors. eta vs tors. theta energy: -25.828
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: 10
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -242.974926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.974926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.974926 (E_RNA)
where:
Base-Base interactions energy: -126.712
where: short stacking energy: -64.065
Base-Backbone interact. energy: -0.556
local terms energy: -115.706064
where:
bonds (distance) C4'-P energy: -28.706
bonds (distance) P-C4' energy: -32.764
flat angles C4'-P-C4' energy: -28.267
flat angles P-C4'-P energy: -22.181
tors. eta vs tors. theta energy: -3.788
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: 7
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -208.495888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.495888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.495888 (E_RNA)
where:
Base-Base interactions energy: -111.423
where: short stacking energy: -58.669
Base-Backbone interact. energy: -0.354
local terms energy: -96.718370
where:
bonds (distance) C4'-P energy: -25.094
bonds (distance) P-C4' energy: -35.714
flat angles C4'-P-C4' energy: -21.709
flat angles P-C4'-P energy: -18.339
tors. eta vs tors. theta energy: 4.138
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: 2
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -629.199678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.199678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.199678 (E_RNA)
where:
Base-Base interactions energy: -449.384
where: short stacking energy: -184.826
Base-Backbone interact. energy: -0.549
local terms energy: -179.266094
where:
bonds (distance) C4'-P energy: -35.429
bonds (distance) P-C4' energy: -37.056
flat angles C4'-P-C4' energy: -34.897
flat angles P-C4'-P energy: -28.560
tors. eta vs tors. theta energy: -43.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -590.362119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.362119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.362119 (E_RNA)
where:
Base-Base interactions energy: -412.636
where: short stacking energy: -168.649
Base-Backbone interact. energy: 0.277
local terms energy: -178.003225
where:
bonds (distance) C4'-P energy: -36.068
bonds (distance) P-C4' energy: -38.819
flat angles C4'-P-C4' energy: -38.230
flat angles P-C4'-P energy: -23.462
tors. eta vs tors. theta energy: -41.424
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: 3, replica: 3
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -549.777591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.777591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.777591 (E_RNA)
where:
Base-Base interactions energy: -370.292
where: short stacking energy: -175.462
Base-Backbone interact. energy: -0.567
local terms energy: -178.917764
where:
bonds (distance) C4'-P energy: -32.182
bonds (distance) P-C4' energy: -34.879
flat angles C4'-P-C4' energy: -37.830
flat angles P-C4'-P energy: -27.246
tors. eta vs tors. theta energy: -46.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -546.755354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.755354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.755354 (E_RNA)
where:
Base-Base interactions energy: -384.157
where: short stacking energy: -146.316
Base-Backbone interact. energy: -1.207
local terms energy: -161.390601
where:
bonds (distance) C4'-P energy: -34.063
bonds (distance) P-C4' energy: -35.992
flat angles C4'-P-C4' energy: -35.568
flat angles P-C4'-P energy: -17.391
tors. eta vs tors. theta energy: -38.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -501.438902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.438902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.438902 (E_RNA)
where:
Base-Base interactions energy: -351.092
where: short stacking energy: -157.195
Base-Backbone interact. energy: -0.099
local terms energy: -150.247949
where:
bonds (distance) C4'-P energy: -34.419
bonds (distance) P-C4' energy: -24.439
flat angles C4'-P-C4' energy: -33.359
flat angles P-C4'-P energy: -19.675
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: 6, replica: 5
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -444.993771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.993771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.993771 (E_RNA)
where:
Base-Base interactions energy: -300.712
where: short stacking energy: -148.868
Base-Backbone interact. energy: 6.576
local terms energy: -150.857206
where:
bonds (distance) C4'-P energy: -34.629
bonds (distance) P-C4' energy: -32.318
flat angles C4'-P-C4' energy: -26.458
flat angles P-C4'-P energy: -22.843
tors. eta vs tors. theta energy: -34.609
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: 4
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -416.370926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.370926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.370926 (E_RNA)
where:
Base-Base interactions energy: -271.643
where: short stacking energy: -119.985
Base-Backbone interact. energy: -1.131
local terms energy: -143.596940
where:
bonds (distance) C4'-P energy: -30.734
bonds (distance) P-C4' energy: -30.136
flat angles C4'-P-C4' energy: -26.879
flat angles P-C4'-P energy: -25.313
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: 6
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -374.339620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.339620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.339620 (E_RNA)
where:
Base-Base interactions energy: -230.304
where: short stacking energy: -103.525
Base-Backbone interact. energy: -0.285
local terms energy: -143.750650
where:
bonds (distance) C4'-P energy: -33.102
bonds (distance) P-C4' energy: -28.802
flat angles C4'-P-C4' energy: -35.653
flat angles P-C4'-P energy: -21.005
tors. eta vs tors. theta energy: -25.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -203.067925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.067925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.067925 (E_RNA)
where:
Base-Base interactions energy: -91.429
where: short stacking energy: -60.505
Base-Backbone interact. energy: 1.693
local terms energy: -113.332003
where:
bonds (distance) C4'-P energy: -32.585
bonds (distance) P-C4' energy: -26.058
flat angles C4'-P-C4' energy: -28.398
flat angles P-C4'-P energy: -16.206
tors. eta vs tors. theta energy: -10.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -267.005401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.005401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.005401 (E_RNA)
where:
Base-Base interactions energy: -148.607
where: short stacking energy: -96.116
Base-Backbone interact. energy: 4.633
local terms energy: -123.031684
where:
bonds (distance) C4'-P energy: -23.661
bonds (distance) P-C4' energy: -27.799
flat angles C4'-P-C4' energy: -31.403
flat angles P-C4'-P energy: -19.867
tors. eta vs tors. theta energy: -20.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -619.395823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.395823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.395823 (E_RNA)
where:
Base-Base interactions energy: -438.535
where: short stacking energy: -175.850
Base-Backbone interact. energy: -2.005
local terms energy: -178.855411
where:
bonds (distance) C4'-P energy: -35.196
bonds (distance) P-C4' energy: -37.806
flat angles C4'-P-C4' energy: -35.274
flat angles P-C4'-P energy: -24.804
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: 2, replica: 1
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -585.427389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.427389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.427389 (E_RNA)
where:
Base-Base interactions energy: -406.952
where: short stacking energy: -164.825
Base-Backbone interact. energy: -1.194
local terms energy: -177.281897
where:
bonds (distance) C4'-P energy: -33.042
bonds (distance) P-C4' energy: -36.043
flat angles C4'-P-C4' energy: -41.016
flat angles P-C4'-P energy: -22.362
tors. eta vs tors. theta energy: -44.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -557.511309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.511309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.511309 (E_RNA)
where:
Base-Base interactions energy: -382.467
where: short stacking energy: -173.696
Base-Backbone interact. energy: -0.945
local terms energy: -174.099819
where:
bonds (distance) C4'-P energy: -32.697
bonds (distance) P-C4' energy: -37.366
flat angles C4'-P-C4' energy: -36.470
flat angles P-C4'-P energy: -21.548
tors. eta vs tors. theta energy: -46.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -532.085095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.085095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.085095 (E_RNA)
where:
Base-Base interactions energy: -381.472
where: short stacking energy: -158.729
Base-Backbone interact. energy: -0.324
local terms energy: -150.289427
where:
bonds (distance) C4'-P energy: -23.758
bonds (distance) P-C4' energy: -28.585
flat angles C4'-P-C4' energy: -33.972
flat angles P-C4'-P energy: -29.510
tors. eta vs tors. theta energy: -34.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -492.820579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.820579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.820579 (E_RNA)
where:
Base-Base interactions energy: -322.738
where: short stacking energy: -141.143
Base-Backbone interact. energy: -2.065
local terms energy: -168.017434
where:
bonds (distance) C4'-P energy: -31.176
bonds (distance) P-C4' energy: -37.017
flat angles C4'-P-C4' energy: -38.086
flat angles P-C4'-P energy: -20.576
tors. eta vs tors. theta energy: -41.163
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: 6, replica: 5
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -441.029732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.029732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.029732 (E_RNA)
where:
Base-Base interactions energy: -289.818
where: short stacking energy: -139.002
Base-Backbone interact. energy: -0.581
local terms energy: -150.630787
where:
bonds (distance) C4'-P energy: -27.804
bonds (distance) P-C4' energy: -36.537
flat angles C4'-P-C4' energy: -32.141
flat angles P-C4'-P energy: -17.834
tors. eta vs tors. theta energy: -36.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -432.148611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.148611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.148611 (E_RNA)
where:
Base-Base interactions energy: -295.881
where: short stacking energy: -114.407
Base-Backbone interact. energy: 0.862
local terms energy: -137.129490
where:
bonds (distance) C4'-P energy: -33.337
bonds (distance) P-C4' energy: -27.557
flat angles C4'-P-C4' energy: -29.760
flat angles P-C4'-P energy: -19.226
tors. eta vs tors. theta energy: -27.251
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: 6
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -348.498450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.498450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.498450 (E_RNA)
where:
Base-Base interactions energy: -214.341
where: short stacking energy: -100.899
Base-Backbone interact. energy: -3.166
local terms energy: -130.990604
where:
bonds (distance) C4'-P energy: -19.608
bonds (distance) P-C4' energy: -34.312
flat angles C4'-P-C4' energy: -27.461
flat angles P-C4'-P energy: -22.828
tors. eta vs tors. theta energy: -26.783
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: 7
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -183.374287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.374287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.374287 (E_RNA)
where:
Base-Base interactions energy: -76.211
where: short stacking energy: -71.752
Base-Backbone interact. energy: -0.765
local terms energy: -106.398766
where:
bonds (distance) C4'-P energy: -21.845
bonds (distance) P-C4' energy: -27.470
flat angles C4'-P-C4' energy: -31.755
flat angles P-C4'-P energy: -18.911
tors. eta vs tors. theta energy: -6.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -234.866310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.866310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.866310 (E_RNA)
where:
Base-Base interactions energy: -126.479
where: short stacking energy: -62.785
Base-Backbone interact. energy: -0.571
local terms energy: -107.816313
where:
bonds (distance) C4'-P energy: -36.160
bonds (distance) P-C4' energy: -26.623
flat angles C4'-P-C4' energy: -26.006
flat angles P-C4'-P energy: -19.759
tors. eta vs tors. theta energy: 0.731
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: 1, replica: 2
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -613.593059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.593059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.593059 (E_RNA)
where:
Base-Base interactions energy: -435.077
where: short stacking energy: -170.386
Base-Backbone interact. energy: -1.809
local terms energy: -176.706632
where:
bonds (distance) C4'-P energy: -38.468
bonds (distance) P-C4' energy: -36.908
flat angles C4'-P-C4' energy: -36.697
flat angles P-C4'-P energy: -23.314
tors. eta vs tors. theta energy: -41.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -589.519183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.519183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.519183 (E_RNA)
where:
Base-Base interactions energy: -421.334
where: short stacking energy: -172.901
Base-Backbone interact. energy: -0.478
local terms energy: -167.707032
where:
bonds (distance) C4'-P energy: -24.790
bonds (distance) P-C4' energy: -39.302
flat angles C4'-P-C4' energy: -37.781
flat angles P-C4'-P energy: -21.109
tors. eta vs tors. theta energy: -44.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -551.375707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.375707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.375707 (E_RNA)
where:
Base-Base interactions energy: -388.723
where: short stacking energy: -165.899
Base-Backbone interact. energy: -0.512
local terms energy: -162.141108
where:
bonds (distance) C4'-P energy: -29.435
bonds (distance) P-C4' energy: -29.394
flat angles C4'-P-C4' energy: -41.342
flat angles P-C4'-P energy: -22.920
tors. eta vs tors. theta energy: -39.051
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: 3
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -540.678877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.678877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.678877 (E_RNA)
where:
Base-Base interactions energy: -382.343
where: short stacking energy: -164.980
Base-Backbone interact. energy: 0.235
local terms energy: -158.570968
where:
bonds (distance) C4'-P energy: -31.517
bonds (distance) P-C4' energy: -30.329
flat angles C4'-P-C4' energy: -30.623
flat angles P-C4'-P energy: -26.697
tors. eta vs tors. theta energy: -39.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -438.575517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.575517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.575517 (E_RNA)
where:
Base-Base interactions energy: -295.259
where: short stacking energy: -128.558
Base-Backbone interact. energy: -0.698
local terms energy: -142.618294
where:
bonds (distance) C4'-P energy: -35.216
bonds (distance) P-C4' energy: -32.225
flat angles C4'-P-C4' energy: -30.526
flat angles P-C4'-P energy: -17.031
tors. eta vs tors. theta energy: -27.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -517.690842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.690842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.690842 (E_RNA)
where:
Base-Base interactions energy: -351.762
where: short stacking energy: -150.828
Base-Backbone interact. energy: -0.272
local terms energy: -165.656657
where:
bonds (distance) C4'-P energy: -34.571
bonds (distance) P-C4' energy: -27.545
flat angles C4'-P-C4' energy: -36.381
flat angles P-C4'-P energy: -25.349
tors. eta vs tors. theta energy: -41.810
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: 54
Temperature: 1.200000
Total energy: -474.021591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.021591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.021591 (E_RNA)
where:
Base-Base interactions energy: -324.217
where: short stacking energy: -139.536
Base-Backbone interact. energy: -1.046
local terms energy: -148.758390
where:
bonds (distance) C4'-P energy: -31.937
bonds (distance) P-C4' energy: -30.235
flat angles C4'-P-C4' energy: -28.771
flat angles P-C4'-P energy: -27.531
tors. eta vs tors. theta energy: -30.286
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: 6
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -361.397675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.397675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.397675 (E_RNA)
where:
Base-Base interactions energy: -235.027
where: short stacking energy: -123.332
Base-Backbone interact. energy: 3.331
local terms energy: -129.701401
where:
bonds (distance) C4'-P energy: -25.329
bonds (distance) P-C4' energy: -24.119
flat angles C4'-P-C4' energy: -30.325
flat angles P-C4'-P energy: -21.928
tors. eta vs tors. theta energy: -28.000
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: 10
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -252.424617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.424617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.424617 (E_RNA)
where:
Base-Base interactions energy: -135.290
where: short stacking energy: -64.736
Base-Backbone interact. energy: -0.111
local terms energy: -117.023493
where:
bonds (distance) C4'-P energy: -24.853
bonds (distance) P-C4' energy: -37.012
flat angles C4'-P-C4' energy: -32.214
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -10.588
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: 7
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -165.927020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.927020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.927020 (E_RNA)
where:
Base-Base interactions energy: -74.927
where: short stacking energy: -65.890
Base-Backbone interact. energy: 0.525
local terms energy: -91.525603
where:
bonds (distance) C4'-P energy: -25.543
bonds (distance) P-C4' energy: -28.941
flat angles C4'-P-C4' energy: -25.865
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -0.322
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: 55
Temperature: 0.900000
Total energy: -623.162266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.162266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.162266 (E_RNA)
where:
Base-Base interactions energy: -450.057
where: short stacking energy: -175.591
Base-Backbone interact. energy: -0.569
local terms energy: -172.536905
where:
bonds (distance) C4'-P energy: -28.714
bonds (distance) P-C4' energy: -37.368
flat angles C4'-P-C4' energy: -39.491
flat angles P-C4'-P energy: -24.187
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: 2, replica: 1
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -594.070975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.070975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.070975 (E_RNA)
where:
Base-Base interactions energy: -422.512
where: short stacking energy: -179.150
Base-Backbone interact. energy: -0.210
local terms energy: -171.348951
where:
bonds (distance) C4'-P energy: -33.150
bonds (distance) P-C4' energy: -30.867
flat angles C4'-P-C4' energy: -29.044
flat angles P-C4'-P energy: -30.586
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: 3, replica: 8
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -562.220029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.220029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.220029 (E_RNA)
where:
Base-Base interactions energy: -390.855
where: short stacking energy: -170.589
Base-Backbone interact. energy: -1.296
local terms energy: -170.069179
where:
bonds (distance) C4'-P energy: -29.902
bonds (distance) P-C4' energy: -30.627
flat angles C4'-P-C4' energy: -39.183
flat angles P-C4'-P energy: -25.378
tors. eta vs tors. theta energy: -44.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -549.829951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.829951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.829951 (E_RNA)
where:
Base-Base interactions energy: -380.430
where: short stacking energy: -160.776
Base-Backbone interact. energy: -1.766
local terms energy: -167.633952
where:
bonds (distance) C4'-P energy: -34.497
bonds (distance) P-C4' energy: -33.283
flat angles C4'-P-C4' energy: -32.619
flat angles P-C4'-P energy: -23.595
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: 5, replica: 5
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -401.733423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.733423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.733423 (E_RNA)
where:
Base-Base interactions energy: -263.231
where: short stacking energy: -127.772
Base-Backbone interact. energy: -0.371
local terms energy: -138.131794
where:
bonds (distance) C4'-P energy: -33.760
bonds (distance) P-C4' energy: -35.762
flat angles C4'-P-C4' energy: -25.851
flat angles P-C4'-P energy: -18.789
tors. eta vs tors. theta energy: -23.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -491.772021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.772021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.772021 (E_RNA)
where:
Base-Base interactions energy: -326.311
where: short stacking energy: -137.084
Base-Backbone interact. energy: 0.691
local terms energy: -166.152818
where:
bonds (distance) C4'-P energy: -35.019
bonds (distance) P-C4' energy: -33.941
flat angles C4'-P-C4' energy: -29.499
flat angles P-C4'-P energy: -25.821
tors. eta vs tors. theta energy: -41.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -457.441017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.441017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.441017 (E_RNA)
where:
Base-Base interactions energy: -311.049
where: short stacking energy: -129.386
Base-Backbone interact. energy: 2.774
local terms energy: -149.165910
where:
bonds (distance) C4'-P energy: -27.116
bonds (distance) P-C4' energy: -32.231
flat angles C4'-P-C4' energy: -32.322
flat angles P-C4'-P energy: -26.195
tors. eta vs tors. theta energy: -31.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -330.603416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.603416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.603416 (E_RNA)
where:
Base-Base interactions energy: -202.845
where: short stacking energy: -93.616
Base-Backbone interact. energy: -0.257
local terms energy: -127.501030
where:
bonds (distance) C4'-P energy: -33.799
bonds (distance) P-C4' energy: -28.607
flat angles C4'-P-C4' energy: -28.703
flat angles P-C4'-P energy: -23.074
tors. eta vs tors. theta energy: -13.317
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: 55
Temperature: 1.300000
Total energy: -232.479997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.479997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.479997 (E_RNA)
where:
Base-Base interactions energy: -133.773
where: short stacking energy: -62.090
Base-Backbone interact. energy: -1.002
local terms energy: -97.704592
where:
bonds (distance) C4'-P energy: -25.783
bonds (distance) P-C4' energy: -34.318
flat angles C4'-P-C4' energy: -20.245
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -6.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -163.838790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.838790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.838790 (E_RNA)
where:
Base-Base interactions energy: -59.491
where: short stacking energy: -56.352
Base-Backbone interact. energy: -0.186
local terms energy: -104.161660
where:
bonds (distance) C4'-P energy: -32.357
bonds (distance) P-C4' energy: -30.337
flat angles C4'-P-C4' energy: -21.737
flat angles P-C4'-P energy: -18.275
tors. eta vs tors. theta energy: -1.455
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: 56
Temperature: 0.900000
Total energy: -621.703141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.703141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.703141 (E_RNA)
where:
Base-Base interactions energy: -436.929
where: short stacking energy: -174.224
Base-Backbone interact. energy: -1.875
local terms energy: -182.899002
where:
bonds (distance) C4'-P energy: -37.020
bonds (distance) P-C4' energy: -36.100
flat angles C4'-P-C4' energy: -40.095
flat angles P-C4'-P energy: -23.928
tors. eta vs tors. theta energy: -45.757
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: 1
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -594.241182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.241182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.241182 (E_RNA)
where:
Base-Base interactions energy: -425.885
where: short stacking energy: -176.005
Base-Backbone interact. energy: -1.133
local terms energy: -167.222988
where:
bonds (distance) C4'-P energy: -25.485
bonds (distance) P-C4' energy: -41.801
flat angles C4'-P-C4' energy: -37.112
flat angles P-C4'-P energy: -21.397
tors. eta vs tors. theta energy: -41.428
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: 56
Temperature: 1.000000
Total energy: -557.369725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.369725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.369725 (E_RNA)
where:
Base-Base interactions energy: -387.519
where: short stacking energy: -160.846
Base-Backbone interact. energy: 1.731
local terms energy: -171.582007
where:
bonds (distance) C4'-P energy: -35.569
bonds (distance) P-C4' energy: -30.186
flat angles C4'-P-C4' energy: -38.468
flat angles P-C4'-P energy: -25.882
tors. eta vs tors. theta energy: -41.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -529.066910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.066910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.066910 (E_RNA)
where:
Base-Base interactions energy: -355.613
where: short stacking energy: -150.918
Base-Backbone interact. energy: -0.094
local terms energy: -173.359553
where:
bonds (distance) C4'-P energy: -32.337
bonds (distance) P-C4' energy: -33.642
flat angles C4'-P-C4' energy: -37.967
flat angles P-C4'-P energy: -29.672
tors. eta vs tors. theta energy: -39.742
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: 9
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -490.356323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.356323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.356323 (E_RNA)
where:
Base-Base interactions energy: -322.396
where: short stacking energy: -154.370
Base-Backbone interact. energy: -0.754
local terms energy: -167.206625
where:
bonds (distance) C4'-P energy: -25.732
bonds (distance) P-C4' energy: -36.374
flat angles C4'-P-C4' energy: -39.691
flat angles P-C4'-P energy: -24.017
tors. eta vs tors. theta energy: -41.392
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: 56
Temperature: 1.150000
Total energy: -379.351222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.351222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.351222 (E_RNA)
where:
Base-Base interactions energy: -249.162
where: short stacking energy: -122.628
Base-Backbone interact. energy: 0.285
local terms energy: -130.474741
where:
bonds (distance) C4'-P energy: -31.948
bonds (distance) P-C4' energy: -34.961
flat angles C4'-P-C4' energy: -20.543
flat angles P-C4'-P energy: -18.051
tors. eta vs tors. theta energy: -24.972
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: 4
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -469.383829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.383829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.383829 (E_RNA)
where:
Base-Base interactions energy: -319.700
where: short stacking energy: -129.756
Base-Backbone interact. energy: -1.120
local terms energy: -148.564684
where:
bonds (distance) C4'-P energy: -38.077
bonds (distance) P-C4' energy: -28.272
flat angles C4'-P-C4' energy: -28.496
flat angles P-C4'-P energy: -24.941
tors. eta vs tors. theta energy: -28.779
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: 6
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -344.483075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.483075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.483075 (E_RNA)
where:
Base-Base interactions energy: -205.237
where: short stacking energy: -94.157
Base-Backbone interact. energy: 0.046
local terms energy: -139.292167
where:
bonds (distance) C4'-P energy: -35.090
bonds (distance) P-C4' energy: -37.342
flat angles C4'-P-C4' energy: -30.281
flat angles P-C4'-P energy: -19.326
tors. eta vs tors. theta energy: -17.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -250.316134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.316134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.316134 (E_RNA)
where:
Base-Base interactions energy: -130.398
where: short stacking energy: -79.231
Base-Backbone interact. energy: -0.373
local terms energy: -119.545398
where:
bonds (distance) C4'-P energy: -29.592
bonds (distance) P-C4' energy: -29.459
flat angles C4'-P-C4' energy: -21.655
flat angles P-C4'-P energy: -22.968
tors. eta vs tors. theta energy: -15.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -158.766529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.766529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.766529 (E_RNA)
where:
Base-Base interactions energy: -54.502
where: short stacking energy: -47.040
Base-Backbone interact. energy: -0.368
local terms energy: -103.896568
where:
bonds (distance) C4'-P energy: -27.314
bonds (distance) P-C4' energy: -27.757
flat angles C4'-P-C4' energy: -27.428
flat angles P-C4'-P energy: -21.489
tors. eta vs tors. theta energy: 0.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -616.323786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.323786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.323786 (E_RNA)
where:
Base-Base interactions energy: -437.893
where: short stacking energy: -164.057
Base-Backbone interact. energy: -0.505
local terms energy: -177.926048
where:
bonds (distance) C4'-P energy: -32.111
bonds (distance) P-C4' energy: -37.503
flat angles C4'-P-C4' energy: -34.548
flat angles P-C4'-P energy: -24.694
tors. eta vs tors. theta energy: -49.070
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: 8
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -583.666806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.666806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.666806 (E_RNA)
where:
Base-Base interactions energy: -414.037
where: short stacking energy: -161.839
Base-Backbone interact. energy: -1.086
local terms energy: -168.543314
where:
bonds (distance) C4'-P energy: -30.396
bonds (distance) P-C4' energy: -34.514
flat angles C4'-P-C4' energy: -36.621
flat angles P-C4'-P energy: -27.080
tors. eta vs tors. theta energy: -39.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -571.414386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.414386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.414386 (E_RNA)
where:
Base-Base interactions energy: -416.978
where: short stacking energy: -159.302
Base-Backbone interact. energy: 5.378
local terms energy: -159.814748
where:
bonds (distance) C4'-P energy: -35.107
bonds (distance) P-C4' energy: -30.950
flat angles C4'-P-C4' energy: -38.513
flat angles P-C4'-P energy: -16.119
tors. eta vs tors. theta energy: -39.126
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: 4, replica: 3
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -535.002765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.002765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.002765 (E_RNA)
where:
Base-Base interactions energy: -373.584
where: short stacking energy: -167.065
Base-Backbone interact. energy: -0.191
local terms energy: -161.228295
where:
bonds (distance) C4'-P energy: -33.881
bonds (distance) P-C4' energy: -31.697
flat angles C4'-P-C4' energy: -37.440
flat angles P-C4'-P energy: -22.514
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: 5, replica: 9
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -488.386375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.386375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.386375 (E_RNA)
where:
Base-Base interactions energy: -327.487
where: short stacking energy: -138.966
Base-Backbone interact. energy: 0.532
local terms energy: -161.430782
where:
bonds (distance) C4'-P energy: -34.780
bonds (distance) P-C4' energy: -38.900
flat angles C4'-P-C4' energy: -36.927
flat angles P-C4'-P energy: -21.242
tors. eta vs tors. theta energy: -29.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -487.224165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.224165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.224165 (E_RNA)
where:
Base-Base interactions energy: -328.178
where: short stacking energy: -136.022
Base-Backbone interact. energy: 0.879
local terms energy: -159.926087
where:
bonds (distance) C4'-P energy: -32.763
bonds (distance) P-C4' energy: -35.681
flat angles C4'-P-C4' energy: -33.026
flat angles P-C4'-P energy: -19.366
tors. eta vs tors. theta energy: -39.089
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: 5
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -375.634639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.634639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.634639 (E_RNA)
where:
Base-Base interactions energy: -227.321
where: short stacking energy: -111.713
Base-Backbone interact. energy: -0.526
local terms energy: -147.787543
where:
bonds (distance) C4'-P energy: -35.103
bonds (distance) P-C4' energy: -36.790
flat angles C4'-P-C4' energy: -33.692
flat angles P-C4'-P energy: -22.107
tors. eta vs tors. theta energy: -20.095
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: 6
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -313.450512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.450512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.450512 (E_RNA)
where:
Base-Base interactions energy: -192.389
where: short stacking energy: -85.463
Base-Backbone interact. energy: 0.932
local terms energy: -121.993769
where:
bonds (distance) C4'-P energy: -28.666
bonds (distance) P-C4' energy: -23.454
flat angles C4'-P-C4' energy: -27.345
flat angles P-C4'-P energy: -23.686
tors. eta vs tors. theta energy: -18.842
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: 57
Temperature: 1.300000
Total energy: -258.292940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.292940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.292940 (E_RNA)
where:
Base-Base interactions energy: -158.931
where: short stacking energy: -71.001
Base-Backbone interact. energy: 0.342
local terms energy: -99.704251
where:
bonds (distance) C4'-P energy: -19.205
bonds (distance) P-C4' energy: -27.358
flat angles C4'-P-C4' energy: -30.193
flat angles P-C4'-P energy: -13.513
tors. eta vs tors. theta energy: -9.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -174.354276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.354276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.354276 (E_RNA)
where:
Base-Base interactions energy: -99.856
where: short stacking energy: -62.628
Base-Backbone interact. energy: -0.537
local terms energy: -73.961517
where:
bonds (distance) C4'-P energy: -24.392
bonds (distance) P-C4' energy: -27.134
flat angles C4'-P-C4' energy: -17.514
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: 4.559
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: 58
Temperature: 0.900000
Total energy: -614.755924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.755924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.755924 (E_RNA)
where:
Base-Base interactions energy: -431.095
where: short stacking energy: -171.592
Base-Backbone interact. energy: -0.534
local terms energy: -183.126928
where:
bonds (distance) C4'-P energy: -38.173
bonds (distance) P-C4' energy: -31.708
flat angles C4'-P-C4' energy: -42.215
flat angles P-C4'-P energy: -27.546
tors. eta vs tors. theta energy: -43.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -568.453588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.453588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.453588 (E_RNA)
where:
Base-Base interactions energy: -402.351
where: short stacking energy: -164.079
Base-Backbone interact. energy: -0.851
local terms energy: -165.251510
where:
bonds (distance) C4'-P energy: -31.901
bonds (distance) P-C4' energy: -32.965
flat angles C4'-P-C4' energy: -38.209
flat angles P-C4'-P energy: -21.235
tors. eta vs tors. theta energy: -40.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -564.705227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.705227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.705227 (E_RNA)
where:
Base-Base interactions energy: -396.896
where: short stacking energy: -174.390
Base-Backbone interact. energy: 1.865
local terms energy: -169.674625
where:
bonds (distance) C4'-P energy: -32.945
bonds (distance) P-C4' energy: -32.194
flat angles C4'-P-C4' energy: -28.353
flat angles P-C4'-P energy: -24.131
tors. eta vs tors. theta energy: -52.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -574.066957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.066957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.066957 (E_RNA)
where:
Base-Base interactions energy: -420.282
where: short stacking energy: -171.221
Base-Backbone interact. energy: -0.667
local terms energy: -153.117613
where:
bonds (distance) C4'-P energy: -35.620
bonds (distance) P-C4' energy: -20.100
flat angles C4'-P-C4' energy: -33.458
flat angles P-C4'-P energy: -19.848
tors. eta vs tors. theta energy: -44.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -523.703290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.703290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.703290 (E_RNA)
where:
Base-Base interactions energy: -353.689
where: short stacking energy: -154.616
Base-Backbone interact. energy: -0.721
local terms energy: -169.292994
where:
bonds (distance) C4'-P energy: -27.609
bonds (distance) P-C4' energy: -37.717
flat angles C4'-P-C4' energy: -35.173
flat angles P-C4'-P energy: -23.355
tors. eta vs tors. theta energy: -45.439
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: 9
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -466.697327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.697327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.697327 (E_RNA)
where:
Base-Base interactions energy: -324.847
where: short stacking energy: -137.765
Base-Backbone interact. energy: 0.293
local terms energy: -142.143780
where:
bonds (distance) C4'-P energy: -34.020
bonds (distance) P-C4' energy: -28.171
flat angles C4'-P-C4' energy: -28.673
flat angles P-C4'-P energy: -17.094
tors. eta vs tors. theta energy: -34.186
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: 7, replica: 5
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -394.808369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.808369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.808369 (E_RNA)
where:
Base-Base interactions energy: -259.092
where: short stacking energy: -107.575
Base-Backbone interact. energy: -0.349
local terms energy: -135.367116
where:
bonds (distance) C4'-P energy: -29.756
bonds (distance) P-C4' energy: -21.987
flat angles C4'-P-C4' energy: -29.098
flat angles P-C4'-P energy: -26.803
tors. eta vs tors. theta energy: -27.723
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: 6
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -310.737693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.737693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.737693 (E_RNA)
where:
Base-Base interactions energy: -184.367
where: short stacking energy: -84.515
Base-Backbone interact. energy: 1.846
local terms energy: -128.216869
where:
bonds (distance) C4'-P energy: -29.009
bonds (distance) P-C4' energy: -28.876
flat angles C4'-P-C4' energy: -32.436
flat angles P-C4'-P energy: -19.474
tors. eta vs tors. theta energy: -18.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -233.066219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.066219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.066219 (E_RNA)
where:
Base-Base interactions energy: -129.945
where: short stacking energy: -71.530
Base-Backbone interact. energy: -0.573
local terms energy: -102.548979
where:
bonds (distance) C4'-P energy: -29.223
bonds (distance) P-C4' energy: -27.927
flat angles C4'-P-C4' energy: -19.642
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -14.236
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: 10, replica: 7
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -150.285257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.285257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.285257 (E_RNA)
where:
Base-Base interactions energy: -48.498
where: short stacking energy: -37.427
Base-Backbone interact. energy: 0.805
local terms energy: -102.591717
where:
bonds (distance) C4'-P energy: -32.226
bonds (distance) P-C4' energy: -30.975
flat angles C4'-P-C4' energy: -31.034
flat angles P-C4'-P energy: -14.347
tors. eta vs tors. theta energy: 5.990
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: 2
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -616.203809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.203809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.203809 (E_RNA)
where:
Base-Base interactions energy: -445.095
where: short stacking energy: -162.842
Base-Backbone interact. energy: -1.059
local terms energy: -170.049690
where:
bonds (distance) C4'-P energy: -33.916
bonds (distance) P-C4' energy: -36.399
flat angles C4'-P-C4' energy: -34.871
flat angles P-C4'-P energy: -26.040
tors. eta vs tors. theta energy: -38.824
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: 3
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -579.250837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.250837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.250837 (E_RNA)
where:
Base-Base interactions energy: -394.944
where: short stacking energy: -168.936
Base-Backbone interact. energy: -1.113
local terms energy: -183.193952
where:
bonds (distance) C4'-P energy: -33.571
bonds (distance) P-C4' energy: -36.380
flat angles C4'-P-C4' energy: -36.162
flat angles P-C4'-P energy: -29.226
tors. eta vs tors. theta energy: -47.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -559.798826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.798826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.798826 (E_RNA)
where:
Base-Base interactions energy: -387.804
where: short stacking energy: -154.173
Base-Backbone interact. energy: -0.976
local terms energy: -171.019269
where:
bonds (distance) C4'-P energy: -36.230
bonds (distance) P-C4' energy: -29.472
flat angles C4'-P-C4' energy: -34.763
flat angles P-C4'-P energy: -29.139
tors. eta vs tors. theta energy: -41.415
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: 4, replica: 1
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -566.080625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.080625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.080625 (E_RNA)
where:
Base-Base interactions energy: -412.269
where: short stacking energy: -165.846
Base-Backbone interact. energy: -0.487
local terms energy: -153.324327
where:
bonds (distance) C4'-P energy: -23.513
bonds (distance) P-C4' energy: -30.188
flat angles C4'-P-C4' energy: -34.360
flat angles P-C4'-P energy: -19.923
tors. eta vs tors. theta energy: -45.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -541.164555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.164555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.164555 (E_RNA)
where:
Base-Base interactions energy: -373.459
where: short stacking energy: -163.345
Base-Backbone interact. energy: -0.824
local terms energy: -166.881329
where:
bonds (distance) C4'-P energy: -25.565
bonds (distance) P-C4' energy: -27.208
flat angles C4'-P-C4' energy: -38.140
flat angles P-C4'-P energy: -32.643
tors. eta vs tors. theta energy: -43.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -440.994238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.994238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.994238 (E_RNA)
where:
Base-Base interactions energy: -293.834
where: short stacking energy: -126.140
Base-Backbone interact. energy: -0.378
local terms energy: -146.781905
where:
bonds (distance) C4'-P energy: -31.565
bonds (distance) P-C4' energy: -37.010
flat angles C4'-P-C4' energy: -31.749
flat angles P-C4'-P energy: -18.108
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: 7, replica: 5
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -399.821980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.821980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.821980 (E_RNA)
where:
Base-Base interactions energy: -266.124
where: short stacking energy: -116.139
Base-Backbone interact. energy: -0.109
local terms energy: -133.589592
where:
bonds (distance) C4'-P energy: -19.081
bonds (distance) P-C4' energy: -26.442
flat angles C4'-P-C4' energy: -38.212
flat angles P-C4'-P energy: -22.438
tors. eta vs tors. theta energy: -27.417
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: 6
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -325.402160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.402160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.402160 (E_RNA)
where:
Base-Base interactions energy: -194.106
where: short stacking energy: -92.490
Base-Backbone interact. energy: -0.557
local terms energy: -130.739196
where:
bonds (distance) C4'-P energy: -26.347
bonds (distance) P-C4' energy: -31.117
flat angles C4'-P-C4' energy: -33.027
flat angles P-C4'-P energy: -23.373
tors. eta vs tors. theta energy: -16.875
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: 10
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -250.212042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.212042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.212042 (E_RNA)
where:
Base-Base interactions energy: -146.296
where: short stacking energy: -80.956
Base-Backbone interact. energy: -0.522
local terms energy: -103.393840
where:
bonds (distance) C4'-P energy: -27.248
bonds (distance) P-C4' energy: -30.928
flat angles C4'-P-C4' energy: -29.535
flat angles P-C4'-P energy: -4.756
tors. eta vs tors. theta energy: -10.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -188.790984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.790984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.790984 (E_RNA)
where:
Base-Base interactions energy: -84.666
where: short stacking energy: -47.826
Base-Backbone interact. energy: 0.152
local terms energy: -104.276507
where:
bonds (distance) C4'-P energy: -31.392
bonds (distance) P-C4' energy: -34.084
flat angles C4'-P-C4' energy: -23.282
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -4.880
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: 60
Temperature: 0.900000
Total energy: -610.047978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.047978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.047978 (E_RNA)
where:
Base-Base interactions energy: -448.331
where: short stacking energy: -168.242
Base-Backbone interact. energy: -0.785
local terms energy: -160.931910
where:
bonds (distance) C4'-P energy: -27.503
bonds (distance) P-C4' energy: -36.135
flat angles C4'-P-C4' energy: -29.941
flat angles P-C4'-P energy: -23.273
tors. eta vs tors. theta energy: -44.080
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: 3
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -575.494462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.494462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.494462 (E_RNA)
where:
Base-Base interactions energy: -400.557
where: short stacking energy: -174.892
Base-Backbone interact. energy: -0.347
local terms energy: -174.590218
where:
bonds (distance) C4'-P energy: -34.328
bonds (distance) P-C4' energy: -32.005
flat angles C4'-P-C4' energy: -36.756
flat angles P-C4'-P energy: -20.799
tors. eta vs tors. theta energy: -50.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -573.244555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.244555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.244555 (E_RNA)
where:
Base-Base interactions energy: -401.223
where: short stacking energy: -161.326
Base-Backbone interact. energy: -0.489
local terms energy: -171.531803
where:
bonds (distance) C4'-P energy: -36.616
bonds (distance) P-C4' energy: -32.388
flat angles C4'-P-C4' energy: -40.746
flat angles P-C4'-P energy: -23.500
tors. eta vs tors. theta energy: -38.282
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: 8
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -538.721323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.721323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.721323 (E_RNA)
where:
Base-Base interactions energy: -377.787
where: short stacking energy: -150.534
Base-Backbone interact. energy: -1.505
local terms energy: -159.429352
where:
bonds (distance) C4'-P energy: -33.567
bonds (distance) P-C4' energy: -36.227
flat angles C4'-P-C4' energy: -26.103
flat angles P-C4'-P energy: -30.466
tors. eta vs tors. theta energy: -33.066
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: 4
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -528.340396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.340396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.340396 (E_RNA)
where:
Base-Base interactions energy: -375.434
where: short stacking energy: -167.008
Base-Backbone interact. energy: -0.321
local terms energy: -152.585440
where:
bonds (distance) C4'-P energy: -31.959
bonds (distance) P-C4' energy: -23.852
flat angles C4'-P-C4' energy: -27.684
flat angles P-C4'-P energy: -25.650
tors. eta vs tors. theta energy: -43.441
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: 9
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -446.887424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.887424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.887424 (E_RNA)
where:
Base-Base interactions energy: -304.243
where: short stacking energy: -136.045
Base-Backbone interact. energy: -1.907
local terms energy: -140.737333
where:
bonds (distance) C4'-P energy: -24.484
bonds (distance) P-C4' energy: -30.714
flat angles C4'-P-C4' energy: -32.869
flat angles P-C4'-P energy: -17.563
tors. eta vs tors. theta energy: -35.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -378.668709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.668709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.668709 (E_RNA)
where:
Base-Base interactions energy: -244.358
where: short stacking energy: -117.227
Base-Backbone interact. energy: 0.078
local terms energy: -134.387933
where:
bonds (distance) C4'-P energy: -27.187
bonds (distance) P-C4' energy: -28.653
flat angles C4'-P-C4' energy: -30.403
flat angles P-C4'-P energy: -27.287
tors. eta vs tors. theta energy: -20.857
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: 6
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -346.367497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.367497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.367497 (E_RNA)
where:
Base-Base interactions energy: -213.685
where: short stacking energy: -107.862
Base-Backbone interact. energy: -0.514
local terms energy: -132.168563
where:
bonds (distance) C4'-P energy: -27.972
bonds (distance) P-C4' energy: -24.925
flat angles C4'-P-C4' energy: -32.144
flat angles P-C4'-P energy: -18.557
tors. eta vs tors. theta energy: -28.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -229.591155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.591155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.591155 (E_RNA)
where:
Base-Base interactions energy: -129.268
where: short stacking energy: -71.921
Base-Backbone interact. energy: 1.755
local terms energy: -102.077689
where:
bonds (distance) C4'-P energy: -25.639
bonds (distance) P-C4' energy: -33.151
flat angles C4'-P-C4' energy: -26.745
flat angles P-C4'-P energy: -6.067
tors. eta vs tors. theta energy: -10.476
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: 7
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -180.833333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.833333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.833333 (E_RNA)
where:
Base-Base interactions energy: -83.693
where: short stacking energy: -57.595
Base-Backbone interact. energy: -0.251
local terms energy: -96.889209
where:
bonds (distance) C4'-P energy: -29.865
bonds (distance) P-C4' energy: -28.206
flat angles C4'-P-C4' energy: -22.649
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -7.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -618.316798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.316798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.316798 (E_RNA)
where:
Base-Base interactions energy: -446.010
where: short stacking energy: -171.576
Base-Backbone interact. energy: -2.179
local terms energy: -170.127699
where:
bonds (distance) C4'-P energy: -27.373
bonds (distance) P-C4' energy: -38.035
flat angles C4'-P-C4' energy: -33.959
flat angles P-C4'-P energy: -27.239
tors. eta vs tors. theta energy: -43.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -587.018209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.018209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.018209 (E_RNA)
where:
Base-Base interactions energy: -417.440
where: short stacking energy: -165.817
Base-Backbone interact. energy: -1.174
local terms energy: -168.404515
where:
bonds (distance) C4'-P energy: -27.278
bonds (distance) P-C4' energy: -35.489
flat angles C4'-P-C4' energy: -36.231
flat angles P-C4'-P energy: -26.428
tors. eta vs tors. theta energy: -42.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -554.514984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.514984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.514984 (E_RNA)
where:
Base-Base interactions energy: -380.693
where: short stacking energy: -171.246
Base-Backbone interact. energy: -0.301
local terms energy: -173.520939
where:
bonds (distance) C4'-P energy: -30.636
bonds (distance) P-C4' energy: -34.854
flat angles C4'-P-C4' energy: -36.861
flat angles P-C4'-P energy: -25.386
tors. eta vs tors. theta energy: -45.784
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: 4, replica: 4
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -523.772079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.772079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.772079 (E_RNA)
where:
Base-Base interactions energy: -363.484
where: short stacking energy: -159.082
Base-Backbone interact. energy: 1.640
local terms energy: -161.927859
where:
bonds (distance) C4'-P energy: -31.833
bonds (distance) P-C4' energy: -27.721
flat angles C4'-P-C4' energy: -32.160
flat angles P-C4'-P energy: -26.139
tors. eta vs tors. theta energy: -44.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -501.561948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.561948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.561948 (E_RNA)
where:
Base-Base interactions energy: -357.945
where: short stacking energy: -137.688
Base-Backbone interact. energy: -1.714
local terms energy: -141.902362
where:
bonds (distance) C4'-P energy: -35.584
bonds (distance) P-C4' energy: -25.712
flat angles C4'-P-C4' energy: -31.562
flat angles P-C4'-P energy: -20.409
tors. eta vs tors. theta energy: -28.636
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: 6, replica: 9
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -453.901970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.901970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.901970 (E_RNA)
where:
Base-Base interactions energy: -307.568
where: short stacking energy: -134.206
Base-Backbone interact. energy: -0.709
local terms energy: -145.625617
where:
bonds (distance) C4'-P energy: -20.934
bonds (distance) P-C4' energy: -32.039
flat angles C4'-P-C4' energy: -34.197
flat angles P-C4'-P energy: -14.623
tors. eta vs tors. theta energy: -43.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -380.210107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.210107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.210107 (E_RNA)
where:
Base-Base interactions energy: -244.840
where: short stacking energy: -116.637
Base-Backbone interact. energy: -1.156
local terms energy: -134.214161
where:
bonds (distance) C4'-P energy: -24.098
bonds (distance) P-C4' energy: -27.630
flat angles C4'-P-C4' energy: -31.862
flat angles P-C4'-P energy: -23.203
tors. eta vs tors. theta energy: -27.420
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: 8, replica: 6
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -340.531615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.531615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.531615 (E_RNA)
where:
Base-Base interactions energy: -222.038
where: short stacking energy: -116.873
Base-Backbone interact. energy: 5.373
local terms energy: -123.866234
where:
bonds (distance) C4'-P energy: -25.520
bonds (distance) P-C4' energy: -30.356
flat angles C4'-P-C4' energy: -30.525
flat angles P-C4'-P energy: -19.032
tors. eta vs tors. theta energy: -18.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -209.385194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.385194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.385194 (E_RNA)
where:
Base-Base interactions energy: -109.557
where: short stacking energy: -60.593
Base-Backbone interact. energy: -0.214
local terms energy: -99.614039
where:
bonds (distance) C4'-P energy: -23.054
bonds (distance) P-C4' energy: -32.122
flat angles C4'-P-C4' energy: -29.601
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -1.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -174.711837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.711837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.711837 (E_RNA)
where:
Base-Base interactions energy: -88.003
where: short stacking energy: -39.072
Base-Backbone interact. energy: -2.110
local terms energy: -84.598681
where:
bonds (distance) C4'-P energy: -28.904
bonds (distance) P-C4' energy: -30.345
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -15.127
tors. eta vs tors. theta energy: 5.411
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: 2
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -628.745823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.745823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.745823 (E_RNA)
where:
Base-Base interactions energy: -455.720
where: short stacking energy: -165.438
Base-Backbone interact. energy: -1.398
local terms energy: -171.627711
where:
bonds (distance) C4'-P energy: -36.303
bonds (distance) P-C4' energy: -31.122
flat angles C4'-P-C4' energy: -38.584
flat angles P-C4'-P energy: -23.200
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: 2, replica: 1
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -577.134523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.134523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.134523 (E_RNA)
where:
Base-Base interactions energy: -403.037
where: short stacking energy: -170.607
Base-Backbone interact. energy: -1.204
local terms energy: -172.893153
where:
bonds (distance) C4'-P energy: -34.377
bonds (distance) P-C4' energy: -37.351
flat angles C4'-P-C4' energy: -36.869
flat angles P-C4'-P energy: -22.341
tors. eta vs tors. theta energy: -41.956
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: 3, replica: 4
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -545.410834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.410834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.410834 (E_RNA)
where:
Base-Base interactions energy: -377.394
where: short stacking energy: -154.256
Base-Backbone interact. energy: -0.164
local terms energy: -167.852481
where:
bonds (distance) C4'-P energy: -35.446
bonds (distance) P-C4' energy: -36.465
flat angles C4'-P-C4' energy: -30.258
flat angles P-C4'-P energy: -23.675
tors. eta vs tors. theta energy: -42.008
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: 3
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -549.186295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.186295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.186295 (E_RNA)
where:
Base-Base interactions energy: -371.122
where: short stacking energy: -162.521
Base-Backbone interact. energy: -0.330
local terms energy: -177.734709
where:
bonds (distance) C4'-P energy: -29.927
bonds (distance) P-C4' energy: -38.304
flat angles C4'-P-C4' energy: -32.672
flat angles P-C4'-P energy: -28.194
tors. eta vs tors. theta energy: -48.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -511.530476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.530476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.530476 (E_RNA)
where:
Base-Base interactions energy: -350.566
where: short stacking energy: -150.664
Base-Backbone interact. energy: -0.401
local terms energy: -160.563595
where:
bonds (distance) C4'-P energy: -29.605
bonds (distance) P-C4' energy: -32.550
flat angles C4'-P-C4' energy: -32.732
flat angles P-C4'-P energy: -23.565
tors. eta vs tors. theta energy: -42.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -470.199124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.199124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.199124 (E_RNA)
where:
Base-Base interactions energy: -312.428
where: short stacking energy: -145.646
Base-Backbone interact. energy: -0.958
local terms energy: -156.812771
where:
bonds (distance) C4'-P energy: -26.823
bonds (distance) P-C4' energy: -35.056
flat angles C4'-P-C4' energy: -34.609
flat angles P-C4'-P energy: -27.112
tors. eta vs tors. theta energy: -33.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -365.524991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.524991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.524991 (E_RNA)
where:
Base-Base interactions energy: -230.318
where: short stacking energy: -111.230
Base-Backbone interact. energy: -0.394
local terms energy: -134.812511
where:
bonds (distance) C4'-P energy: -37.736
bonds (distance) P-C4' energy: -24.212
flat angles C4'-P-C4' energy: -30.175
flat angles P-C4'-P energy: -19.445
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: 8, replica: 5
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -363.991240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.991240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.991240 (E_RNA)
where:
Base-Base interactions energy: -236.997
where: short stacking energy: -112.842
Base-Backbone interact. energy: -0.040
local terms energy: -126.954336
where:
bonds (distance) C4'-P energy: -32.079
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -26.534
flat angles P-C4'-P energy: -26.185
tors. eta vs tors. theta energy: -24.584
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: 7
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -209.808325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.808325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.808325 (E_RNA)
where:
Base-Base interactions energy: -109.651
where: short stacking energy: -60.245
Base-Backbone interact. energy: 2.636
local terms energy: -102.793152
where:
bonds (distance) C4'-P energy: -29.738
bonds (distance) P-C4' energy: -28.168
flat angles C4'-P-C4' energy: -31.740
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -6.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -193.424456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.424456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.424456 (E_RNA)
where:
Base-Base interactions energy: -94.389
where: short stacking energy: -48.237
Base-Backbone interact. energy: -0.477
local terms energy: -98.558070
where:
bonds (distance) C4'-P energy: -31.354
bonds (distance) P-C4' energy: -27.486
flat angles C4'-P-C4' energy: -20.457
flat angles P-C4'-P energy: -24.375
tors. eta vs tors. theta energy: 5.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -628.460641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.460641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.460641 (E_RNA)
where:
Base-Base interactions energy: -460.820
where: short stacking energy: -167.669
Base-Backbone interact. energy: -2.011
local terms energy: -165.630283
where:
bonds (distance) C4'-P energy: -36.336
bonds (distance) P-C4' energy: -22.047
flat angles C4'-P-C4' energy: -36.832
flat angles P-C4'-P energy: -26.718
tors. eta vs tors. theta energy: -43.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -557.100151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.100151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.100151 (E_RNA)
where:
Base-Base interactions energy: -382.232
where: short stacking energy: -165.460
Base-Backbone interact. energy: -0.157
local terms energy: -174.710737
where:
bonds (distance) C4'-P energy: -37.184
bonds (distance) P-C4' energy: -26.956
flat angles C4'-P-C4' energy: -35.787
flat angles P-C4'-P energy: -28.060
tors. eta vs tors. theta energy: -46.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -571.772638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.772638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.772638 (E_RNA)
where:
Base-Base interactions energy: -398.105
where: short stacking energy: -165.471
Base-Backbone interact. energy: -1.084
local terms energy: -172.584429
where:
bonds (distance) C4'-P energy: -33.078
bonds (distance) P-C4' energy: -34.467
flat angles C4'-P-C4' energy: -40.279
flat angles P-C4'-P energy: -23.841
tors. eta vs tors. theta energy: -40.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -501.066502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.066502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.066502 (E_RNA)
where:
Base-Base interactions energy: -355.408
where: short stacking energy: -160.548
Base-Backbone interact. energy: -1.261
local terms energy: -144.397319
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -36.314
flat angles C4'-P-C4' energy: -34.509
flat angles P-C4'-P energy: -21.061
tors. eta vs tors. theta energy: -37.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -521.031255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.031255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.031255 (E_RNA)
where:
Base-Base interactions energy: -358.883
where: short stacking energy: -155.620
Base-Backbone interact. energy: -0.083
local terms energy: -162.064586
where:
bonds (distance) C4'-P energy: -26.289
bonds (distance) P-C4' energy: -32.530
flat angles C4'-P-C4' energy: -36.643
flat angles P-C4'-P energy: -21.999
tors. eta vs tors. theta energy: -44.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -452.199347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.199347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.199347 (E_RNA)
where:
Base-Base interactions energy: -311.278
where: short stacking energy: -144.798
Base-Backbone interact. energy: -0.432
local terms energy: -140.489597
where:
bonds (distance) C4'-P energy: -24.960
bonds (distance) P-C4' energy: -26.308
flat angles C4'-P-C4' energy: -26.778
flat angles P-C4'-P energy: -24.647
tors. eta vs tors. theta energy: -37.796
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: 6
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -361.624110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.624110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.624110 (E_RNA)
where:
Base-Base interactions energy: -240.345
where: short stacking energy: -98.335
Base-Backbone interact. energy: -0.401
local terms energy: -120.878713
where:
bonds (distance) C4'-P energy: -24.532
bonds (distance) P-C4' energy: -27.822
flat angles C4'-P-C4' energy: -30.723
flat angles P-C4'-P energy: -22.256
tors. eta vs tors. theta energy: -15.546
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: 8, replica: 5
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -372.654181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.654181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.654181 (E_RNA)
where:
Base-Base interactions energy: -237.918
where: short stacking energy: -116.164
Base-Backbone interact. energy: -0.308
local terms energy: -134.428264
where:
bonds (distance) C4'-P energy: -26.655
bonds (distance) P-C4' energy: -37.108
flat angles C4'-P-C4' energy: -30.959
flat angles P-C4'-P energy: -18.093
tors. eta vs tors. theta energy: -21.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -295.184019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.184019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.184019 (E_RNA)
where:
Base-Base interactions energy: -167.866
where: short stacking energy: -92.252
Base-Backbone interact. energy: -3.074
local terms energy: -124.244289
where:
bonds (distance) C4'-P energy: -32.108
bonds (distance) P-C4' energy: -23.684
flat angles C4'-P-C4' energy: -32.780
flat angles P-C4'-P energy: -20.611
tors. eta vs tors. theta energy: -15.062
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: 10
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -168.568876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.568876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.568876 (E_RNA)
where:
Base-Base interactions energy: -68.277
where: short stacking energy: -54.686
Base-Backbone interact. energy: -0.856
local terms energy: -99.435469
where:
bonds (distance) C4'-P energy: -29.907
bonds (distance) P-C4' energy: -23.834
flat angles C4'-P-C4' energy: -27.394
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -5.806
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: 64
Temperature: 0.900000
Total energy: -608.379906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.379906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.379906 (E_RNA)
where:
Base-Base interactions energy: -436.068
where: short stacking energy: -167.320
Base-Backbone interact. energy: -1.567
local terms energy: -170.745705
where:
bonds (distance) C4'-P energy: -31.184
bonds (distance) P-C4' energy: -38.459
flat angles C4'-P-C4' energy: -33.786
flat angles P-C4'-P energy: -22.349
tors. eta vs tors. theta energy: -44.967
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: 4
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -569.077019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.077019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.077019 (E_RNA)
where:
Base-Base interactions energy: -384.473
where: short stacking energy: -169.056
Base-Backbone interact. energy: -1.303
local terms energy: -183.300681
where:
bonds (distance) C4'-P energy: -36.184
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -38.912
flat angles P-C4'-P energy: -23.808
tors. eta vs tors. theta energy: -47.716
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: 1
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -589.397302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.397302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.397302 (E_RNA)
where:
Base-Base interactions energy: -422.065
where: short stacking energy: -172.431
Base-Backbone interact. energy: -0.781
local terms energy: -166.551413
where:
bonds (distance) C4'-P energy: -29.239
bonds (distance) P-C4' energy: -33.776
flat angles C4'-P-C4' energy: -39.138
flat angles P-C4'-P energy: -25.819
tors. eta vs tors. theta energy: -38.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -498.534691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.534691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.534691 (E_RNA)
where:
Base-Base interactions energy: -340.614
where: short stacking energy: -131.549
Base-Backbone interact. energy: -0.874
local terms energy: -157.045829
where:
bonds (distance) C4'-P energy: -33.739
bonds (distance) P-C4' energy: -30.497
flat angles C4'-P-C4' energy: -36.637
flat angles P-C4'-P energy: -21.659
tors. eta vs tors. theta energy: -34.512
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: 9
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -495.631312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.631312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.631312 (E_RNA)
where:
Base-Base interactions energy: -325.297
where: short stacking energy: -151.238
Base-Backbone interact. energy: -0.365
local terms energy: -169.969465
where:
bonds (distance) C4'-P energy: -36.664
bonds (distance) P-C4' energy: -29.806
flat angles C4'-P-C4' energy: -36.311
flat angles P-C4'-P energy: -26.863
tors. eta vs tors. theta energy: -40.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -464.676110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.676110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.676110 (E_RNA)
where:
Base-Base interactions energy: -322.213
where: short stacking energy: -145.099
Base-Backbone interact. energy: -0.031
local terms energy: -142.432746
where:
bonds (distance) C4'-P energy: -29.004
bonds (distance) P-C4' energy: -25.534
flat angles C4'-P-C4' energy: -31.773
flat angles P-C4'-P energy: -23.096
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: 7, replica: 6
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -363.856731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.856731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.856731 (E_RNA)
where:
Base-Base interactions energy: -233.416
where: short stacking energy: -98.184
Base-Backbone interact. energy: -0.902
local terms energy: -129.537997
where:
bonds (distance) C4'-P energy: -29.977
bonds (distance) P-C4' energy: -39.198
flat angles C4'-P-C4' energy: -21.088
flat angles P-C4'-P energy: -15.189
tors. eta vs tors. theta energy: -24.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -363.904167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.904167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.904167 (E_RNA)
where:
Base-Base interactions energy: -229.226
where: short stacking energy: -118.615
Base-Backbone interact. energy: 0.857
local terms energy: -135.534388
where:
bonds (distance) C4'-P energy: -30.380
bonds (distance) P-C4' energy: -31.469
flat angles C4'-P-C4' energy: -29.828
flat angles P-C4'-P energy: -18.301
tors. eta vs tors. theta energy: -25.556
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: 9, replica: 7
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -294.445973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.445973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.445973 (E_RNA)
where:
Base-Base interactions energy: -187.775
where: short stacking energy: -103.910
Base-Backbone interact. energy: 1.232
local terms energy: -107.903357
where:
bonds (distance) C4'-P energy: -23.684
bonds (distance) P-C4' energy: -25.040
flat angles C4'-P-C4' energy: -31.521
flat angles P-C4'-P energy: -19.309
tors. eta vs tors. theta energy: -8.349
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: 10, replica: 10
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -154.906497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.906497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.906497 (E_RNA)
where:
Base-Base interactions energy: -59.544
where: short stacking energy: -49.827
Base-Backbone interact. energy: 2.675
local terms energy: -98.038332
where:
bonds (distance) C4'-P energy: -22.749
bonds (distance) P-C4' energy: -31.051
flat angles C4'-P-C4' energy: -26.225
flat angles P-C4'-P energy: -16.258
tors. eta vs tors. theta energy: -1.755
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: 65
Temperature: 0.900000
Total energy: -616.901708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.901708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.901708 (E_RNA)
where:
Base-Base interactions energy: -445.529
where: short stacking energy: -181.457
Base-Backbone interact. energy: -1.451
local terms energy: -169.922459
where:
bonds (distance) C4'-P energy: -30.430
bonds (distance) P-C4' energy: -37.370
flat angles C4'-P-C4' energy: -29.522
flat angles P-C4'-P energy: -23.598
tors. eta vs tors. theta energy: -49.003
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: 1
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -583.744424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.744424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.744424 (E_RNA)
where:
Base-Base interactions energy: -422.490
where: short stacking energy: -167.333
Base-Backbone interact. energy: -1.290
local terms energy: -159.965129
where:
bonds (distance) C4'-P energy: -33.351
bonds (distance) P-C4' energy: -39.807
flat angles C4'-P-C4' energy: -29.760
flat angles P-C4'-P energy: -22.783
tors. eta vs tors. theta energy: -34.264
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: 4
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -556.039569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.039569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.039569 (E_RNA)
where:
Base-Base interactions energy: -380.233
where: short stacking energy: -163.629
Base-Backbone interact. energy: -0.017
local terms energy: -175.788840
where:
bonds (distance) C4'-P energy: -33.520
bonds (distance) P-C4' energy: -36.762
flat angles C4'-P-C4' energy: -35.633
flat angles P-C4'-P energy: -24.985
tors. eta vs tors. theta energy: -44.890
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: 9
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -507.745460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.745460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.745460 (E_RNA)
where:
Base-Base interactions energy: -338.302
where: short stacking energy: -162.293
Base-Backbone interact. energy: -0.084
local terms energy: -169.359561
where:
bonds (distance) C4'-P energy: -35.586
bonds (distance) P-C4' energy: -38.179
flat angles C4'-P-C4' energy: -33.782
flat angles P-C4'-P energy: -22.167
tors. eta vs tors. theta energy: -39.645
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: 8
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -498.067110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.067110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.067110 (E_RNA)
where:
Base-Base interactions energy: -342.702
where: short stacking energy: -146.552
Base-Backbone interact. energy: -0.477
local terms energy: -154.888410
where:
bonds (distance) C4'-P energy: -31.774
bonds (distance) P-C4' energy: -33.753
flat angles C4'-P-C4' energy: -30.246
flat angles P-C4'-P energy: -25.199
tors. eta vs tors. theta energy: -33.917
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: 3
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -466.623029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.623029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.623029 (E_RNA)
where:
Base-Base interactions energy: -325.613
where: short stacking energy: -136.115
Base-Backbone interact. energy: 0.117
local terms energy: -141.126821
where:
bonds (distance) C4'-P energy: -22.260
bonds (distance) P-C4' energy: -31.938
flat angles C4'-P-C4' energy: -24.789
flat angles P-C4'-P energy: -28.227
tors. eta vs tors. theta energy: -33.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -368.375127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.375127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.375127 (E_RNA)
where:
Base-Base interactions energy: -246.981
where: short stacking energy: -111.936
Base-Backbone interact. energy: -0.263
local terms energy: -121.131709
where:
bonds (distance) C4'-P energy: -19.508
bonds (distance) P-C4' energy: -33.013
flat angles C4'-P-C4' energy: -25.980
flat angles P-C4'-P energy: -21.018
tors. eta vs tors. theta energy: -21.613
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: 7
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -302.230667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.230667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.230667 (E_RNA)
where:
Base-Base interactions energy: -185.862
where: short stacking energy: -88.319
Base-Backbone interact. energy: -0.354
local terms energy: -116.014461
where:
bonds (distance) C4'-P energy: -29.041
bonds (distance) P-C4' energy: -27.915
flat angles C4'-P-C4' energy: -24.887
flat angles P-C4'-P energy: -16.665
tors. eta vs tors. theta energy: -17.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -361.373379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.373379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.373379 (E_RNA)
where:
Base-Base interactions energy: -228.226
where: short stacking energy: -115.190
Base-Backbone interact. energy: -0.335
local terms energy: -132.812549
where:
bonds (distance) C4'-P energy: -25.999
bonds (distance) P-C4' energy: -31.609
flat angles C4'-P-C4' energy: -27.880
flat angles P-C4'-P energy: -18.860
tors. eta vs tors. theta energy: -28.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -217.319655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.319655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.319655 (E_RNA)
where:
Base-Base interactions energy: -128.776
where: short stacking energy: -62.278
Base-Backbone interact. energy: 0.372
local terms energy: -88.915402
where:
bonds (distance) C4'-P energy: -24.499
bonds (distance) P-C4' energy: -25.461
flat angles C4'-P-C4' energy: -27.246
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -2.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -597.250552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.250552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.250552 (E_RNA)
where:
Base-Base interactions energy: -416.242
where: short stacking energy: -173.687
Base-Backbone interact. energy: -1.311
local terms energy: -179.697710
where:
bonds (distance) C4'-P energy: -38.212
bonds (distance) P-C4' energy: -29.940
flat angles C4'-P-C4' energy: -37.961
flat angles P-C4'-P energy: -30.056
tors. eta vs tors. theta energy: -43.529
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: 66
Temperature: 0.950000
Total energy: -600.690250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.690250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.690250 (E_RNA)
where:
Base-Base interactions energy: -431.449
where: short stacking energy: -175.252
Base-Backbone interact. energy: -0.801
local terms energy: -168.441092
where:
bonds (distance) C4'-P energy: -31.000
bonds (distance) P-C4' energy: -31.759
flat angles C4'-P-C4' energy: -37.556
flat angles P-C4'-P energy: -26.962
tors. eta vs tors. theta energy: -41.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -544.683337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.683337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.683337 (E_RNA)
where:
Base-Base interactions energy: -374.435
where: short stacking energy: -157.996
Base-Backbone interact. energy: -0.392
local terms energy: -169.856586
where:
bonds (distance) C4'-P energy: -30.525
bonds (distance) P-C4' energy: -33.480
flat angles C4'-P-C4' energy: -35.699
flat angles P-C4'-P energy: -26.101
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: 4, replica: 9
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -513.999633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.999633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.999633 (E_RNA)
where:
Base-Base interactions energy: -344.319
where: short stacking energy: -156.741
Base-Backbone interact. energy: -0.598
local terms energy: -169.081834
where:
bonds (distance) C4'-P energy: -32.241
bonds (distance) P-C4' energy: -26.474
flat angles C4'-P-C4' energy: -38.784
flat angles P-C4'-P energy: -24.180
tors. eta vs tors. theta energy: -47.403
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: 8
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -473.150195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.150195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.150195 (E_RNA)
where:
Base-Base interactions energy: -319.603
where: short stacking energy: -142.924
Base-Backbone interact. energy: 1.295
local terms energy: -154.841789
where:
bonds (distance) C4'-P energy: -26.343
bonds (distance) P-C4' energy: -32.742
flat angles C4'-P-C4' energy: -36.961
flat angles P-C4'-P energy: -22.608
tors. eta vs tors. theta energy: -36.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -473.697752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.697752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.697752 (E_RNA)
where:
Base-Base interactions energy: -324.316
where: short stacking energy: -137.056
Base-Backbone interact. energy: -0.097
local terms energy: -149.285257
where:
bonds (distance) C4'-P energy: -24.223
bonds (distance) P-C4' energy: -33.818
flat angles C4'-P-C4' energy: -35.539
flat angles P-C4'-P energy: -21.382
tors. eta vs tors. theta energy: -34.324
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: 6
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -379.711240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.711240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.711240 (E_RNA)
where:
Base-Base interactions energy: -236.091
where: short stacking energy: -109.469
Base-Backbone interact. energy: -0.397
local terms energy: -143.223515
where:
bonds (distance) C4'-P energy: -37.433
bonds (distance) P-C4' energy: -29.996
flat angles C4'-P-C4' energy: -28.298
flat angles P-C4'-P energy: -23.963
tors. eta vs tors. theta energy: -23.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -331.386009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.386009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.386009 (E_RNA)
where:
Base-Base interactions energy: -214.904
where: short stacking energy: -97.357
Base-Backbone interact. energy: -0.579
local terms energy: -115.902573
where:
bonds (distance) C4'-P energy: -24.910
bonds (distance) P-C4' energy: -27.934
flat angles C4'-P-C4' energy: -31.173
flat angles P-C4'-P energy: -16.276
tors. eta vs tors. theta energy: -15.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -355.674414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.674414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.674414 (E_RNA)
where:
Base-Base interactions energy: -230.083
where: short stacking energy: -119.450
Base-Backbone interact. energy: -1.169
local terms energy: -124.421811
where:
bonds (distance) C4'-P energy: -23.371
bonds (distance) P-C4' energy: -29.775
flat angles C4'-P-C4' energy: -28.686
flat angles P-C4'-P energy: -10.798
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: 10
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -214.762901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.762901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.762901 (E_RNA)
where:
Base-Base interactions energy: -104.947
where: short stacking energy: -55.513
Base-Backbone interact. energy: -0.585
local terms energy: -109.231116
where:
bonds (distance) C4'-P energy: -30.128
bonds (distance) P-C4' energy: -32.077
flat angles C4'-P-C4' energy: -27.198
flat angles P-C4'-P energy: -23.918
tors. eta vs tors. theta energy: 4.089
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: 1, replica: 1
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -596.226064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.226064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.226064 (E_RNA)
where:
Base-Base interactions energy: -428.069
where: short stacking energy: -168.034
Base-Backbone interact. energy: -2.483
local terms energy: -165.674968
where:
bonds (distance) C4'-P energy: -30.875
bonds (distance) P-C4' energy: -36.565
flat angles C4'-P-C4' energy: -34.673
flat angles P-C4'-P energy: -29.239
tors. eta vs tors. theta energy: -34.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -586.628922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.628922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.628922 (E_RNA)
where:
Base-Base interactions energy: -421.165
where: short stacking energy: -178.264
Base-Backbone interact. energy: 0.536
local terms energy: -166.000143
where:
bonds (distance) C4'-P energy: -33.774
bonds (distance) P-C4' energy: -36.022
flat angles C4'-P-C4' energy: -34.215
flat angles P-C4'-P energy: -24.796
tors. eta vs tors. theta energy: -37.194
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: 4
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -543.460412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.460412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.460412 (E_RNA)
where:
Base-Base interactions energy: -373.370
where: short stacking energy: -155.611
Base-Backbone interact. energy: -0.425
local terms energy: -169.666336
where:
bonds (distance) C4'-P energy: -33.649
bonds (distance) P-C4' energy: -34.799
flat angles C4'-P-C4' energy: -39.217
flat angles P-C4'-P energy: -26.308
tors. eta vs tors. theta energy: -35.693
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: 8
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -521.043257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.043257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.043257 (E_RNA)
where:
Base-Base interactions energy: -362.706
where: short stacking energy: -148.621
Base-Backbone interact. energy: -0.009
local terms energy: -158.328140
where:
bonds (distance) C4'-P energy: -25.907
bonds (distance) P-C4' energy: -40.267
flat angles C4'-P-C4' energy: -36.656
flat angles P-C4'-P energy: -22.873
tors. eta vs tors. theta energy: -32.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -508.700104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.700104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.700104 (E_RNA)
where:
Base-Base interactions energy: -355.527
where: short stacking energy: -151.946
Base-Backbone interact. energy: 0.663
local terms energy: -153.836360
where:
bonds (distance) C4'-P energy: -28.309
bonds (distance) P-C4' energy: -25.854
flat angles C4'-P-C4' energy: -36.139
flat angles P-C4'-P energy: -18.180
tors. eta vs tors. theta energy: -45.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -492.491569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.491569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.491569 (E_RNA)
where:
Base-Base interactions energy: -326.642
where: short stacking energy: -142.515
Base-Backbone interact. energy: -0.406
local terms energy: -165.442945
where:
bonds (distance) C4'-P energy: -38.136
bonds (distance) P-C4' energy: -31.019
flat angles C4'-P-C4' energy: -30.347
flat angles P-C4'-P energy: -23.263
tors. eta vs tors. theta energy: -42.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -343.393213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.393213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.393213 (E_RNA)
where:
Base-Base interactions energy: -209.581
where: short stacking energy: -97.513
Base-Backbone interact. energy: -0.810
local terms energy: -133.002213
where:
bonds (distance) C4'-P energy: -26.758
bonds (distance) P-C4' energy: -36.324
flat angles C4'-P-C4' energy: -30.455
flat angles P-C4'-P energy: -21.461
tors. eta vs tors. theta energy: -18.004
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: 5
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -344.917130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.917130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.917130 (E_RNA)
where:
Base-Base interactions energy: -216.271
where: short stacking energy: -103.198
Base-Backbone interact. energy: -0.982
local terms energy: -127.664665
where:
bonds (distance) C4'-P energy: -30.324
bonds (distance) P-C4' energy: -27.756
flat angles C4'-P-C4' energy: -30.747
flat angles P-C4'-P energy: -19.092
tors. eta vs tors. theta energy: -19.746
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: 7
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -347.518648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.518648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.518648 (E_RNA)
where:
Base-Base interactions energy: -223.947
where: short stacking energy: -101.119
Base-Backbone interact. energy: 0.512
local terms energy: -124.084448
where:
bonds (distance) C4'-P energy: -24.931
bonds (distance) P-C4' energy: -30.285
flat angles C4'-P-C4' energy: -30.181
flat angles P-C4'-P energy: -17.449
tors. eta vs tors. theta energy: -21.238
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: 10
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -196.093234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.093234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.093234 (E_RNA)
where:
Base-Base interactions energy: -99.644
where: short stacking energy: -63.866
Base-Backbone interact. energy: -0.557
local terms energy: -95.891674
where:
bonds (distance) C4'-P energy: -21.097
bonds (distance) P-C4' energy: -25.177
flat angles C4'-P-C4' energy: -28.053
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -8.957
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: 68
Temperature: 0.900000
Total energy: -597.287427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.287427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.287427 (E_RNA)
where:
Base-Base interactions energy: -414.666
where: short stacking energy: -172.482
Base-Backbone interact. energy: -0.247
local terms energy: -182.374266
where:
bonds (distance) C4'-P energy: -32.292
bonds (distance) P-C4' energy: -38.508
flat angles C4'-P-C4' energy: -40.043
flat angles P-C4'-P energy: -24.970
tors. eta vs tors. theta energy: -46.561
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: 1
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -587.536831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.536831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.536831 (E_RNA)
where:
Base-Base interactions energy: -417.275
where: short stacking energy: -178.602
Base-Backbone interact. energy: -1.034
local terms energy: -169.227689
where:
bonds (distance) C4'-P energy: -28.498
bonds (distance) P-C4' energy: -30.811
flat angles C4'-P-C4' energy: -36.300
flat angles P-C4'-P energy: -29.111
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: 3, replica: 4
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -548.053457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.053457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.053457 (E_RNA)
where:
Base-Base interactions energy: -382.285
where: short stacking energy: -151.724
Base-Backbone interact. energy: -0.215
local terms energy: -165.553874
where:
bonds (distance) C4'-P energy: -29.150
bonds (distance) P-C4' energy: -32.257
flat angles C4'-P-C4' energy: -33.315
flat angles P-C4'-P energy: -27.760
tors. eta vs tors. theta energy: -43.072
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: 68
Temperature: 1.050000
Total energy: -512.555189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.555189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.555189 (E_RNA)
where:
Base-Base interactions energy: -353.737
where: short stacking energy: -133.606
Base-Backbone interact. energy: -0.841
local terms energy: -157.977294
where:
bonds (distance) C4'-P energy: -31.867
bonds (distance) P-C4' energy: -38.062
flat angles C4'-P-C4' energy: -35.059
flat angles P-C4'-P energy: -22.424
tors. eta vs tors. theta energy: -30.565
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: 3
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -489.438737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.438737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.438737 (E_RNA)
where:
Base-Base interactions energy: -326.879
where: short stacking energy: -151.229
Base-Backbone interact. energy: -0.443
local terms energy: -162.116748
where:
bonds (distance) C4'-P energy: -34.378
bonds (distance) P-C4' energy: -35.799
flat angles C4'-P-C4' energy: -31.983
flat angles P-C4'-P energy: -23.068
tors. eta vs tors. theta energy: -36.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -484.898607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.898607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.898607 (E_RNA)
where:
Base-Base interactions energy: -323.616
where: short stacking energy: -136.057
Base-Backbone interact. energy: -0.919
local terms energy: -160.363088
where:
bonds (distance) C4'-P energy: -27.741
bonds (distance) P-C4' energy: -32.704
flat angles C4'-P-C4' energy: -37.758
flat angles P-C4'-P energy: -25.229
tors. eta vs tors. theta energy: -36.930
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: 6
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -366.943486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.943486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.943486 (E_RNA)
where:
Base-Base interactions energy: -250.245
where: short stacking energy: -103.213
Base-Backbone interact. energy: -0.684
local terms energy: -116.014878
where:
bonds (distance) C4'-P energy: -26.495
bonds (distance) P-C4' energy: -25.882
flat angles C4'-P-C4' energy: -28.132
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -22.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -328.462729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.462729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.462729 (E_RNA)
where:
Base-Base interactions energy: -191.768
where: short stacking energy: -91.782
Base-Backbone interact. energy: -0.906
local terms energy: -135.788085
where:
bonds (distance) C4'-P energy: -29.291
bonds (distance) P-C4' energy: -31.554
flat angles C4'-P-C4' energy: -34.983
flat angles P-C4'-P energy: -17.063
tors. eta vs tors. theta energy: -22.897
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: 7
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -340.988192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.988192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.988192 (E_RNA)
where:
Base-Base interactions energy: -233.045
where: short stacking energy: -100.185
Base-Backbone interact. energy: -0.845
local terms energy: -107.097598
where:
bonds (distance) C4'-P energy: -27.563
bonds (distance) P-C4' energy: -25.665
flat angles C4'-P-C4' energy: -22.842
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -17.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -195.330280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.330280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.330280 (E_RNA)
where:
Base-Base interactions energy: -103.767
where: short stacking energy: -59.961
Base-Backbone interact. energy: -1.376
local terms energy: -90.186914
where:
bonds (distance) C4'-P energy: -27.410
bonds (distance) P-C4' energy: -17.870
flat angles C4'-P-C4' energy: -21.551
flat angles P-C4'-P energy: -23.100
tors. eta vs tors. theta energy: -0.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -610.026075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.026075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.026075 (E_RNA)
where:
Base-Base interactions energy: -423.517
where: short stacking energy: -180.845
Base-Backbone interact. energy: -0.727
local terms energy: -185.782078
where:
bonds (distance) C4'-P energy: -35.260
bonds (distance) P-C4' energy: -42.447
flat angles C4'-P-C4' energy: -37.987
flat angles P-C4'-P energy: -23.477
tors. eta vs tors. theta energy: -46.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -586.852437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.852437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.852437 (E_RNA)
where:
Base-Base interactions energy: -407.438
where: short stacking energy: -170.760
Base-Backbone interact. energy: -0.400
local terms energy: -179.014029
where:
bonds (distance) C4'-P energy: -36.186
bonds (distance) P-C4' energy: -31.301
flat angles C4'-P-C4' energy: -39.269
flat angles P-C4'-P energy: -23.430
tors. eta vs tors. theta energy: -48.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -553.411332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.411332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.411332 (E_RNA)
where:
Base-Base interactions energy: -386.378
where: short stacking energy: -167.642
Base-Backbone interact. energy: 0.663
local terms energy: -167.696289
where:
bonds (distance) C4'-P energy: -32.710
bonds (distance) P-C4' energy: -32.725
flat angles C4'-P-C4' energy: -32.081
flat angles P-C4'-P energy: -27.693
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: 4, replica: 8
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -489.400356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.400356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.400356 (E_RNA)
where:
Base-Base interactions energy: -332.241
where: short stacking energy: -132.566
Base-Backbone interact. energy: -1.648
local terms energy: -155.511933
where:
bonds (distance) C4'-P energy: -31.629
bonds (distance) P-C4' energy: -32.481
flat angles C4'-P-C4' energy: -37.502
flat angles P-C4'-P energy: -23.531
tors. eta vs tors. theta energy: -30.370
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: 3
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -501.661526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.661526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.661526 (E_RNA)
where:
Base-Base interactions energy: -330.230
where: short stacking energy: -151.146
Base-Backbone interact. energy: -2.120
local terms energy: -169.311478
where:
bonds (distance) C4'-P energy: -32.432
bonds (distance) P-C4' energy: -38.802
flat angles C4'-P-C4' energy: -35.848
flat angles P-C4'-P energy: -27.131
tors. eta vs tors. theta energy: -35.098
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: 9
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -477.920018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.920018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.920018 (E_RNA)
where:
Base-Base interactions energy: -318.334
where: short stacking energy: -130.145
Base-Backbone interact. energy: -0.653
local terms energy: -158.932380
where:
bonds (distance) C4'-P energy: -33.137
bonds (distance) P-C4' energy: -29.559
flat angles C4'-P-C4' energy: -41.013
flat angles P-C4'-P energy: -18.155
tors. eta vs tors. theta energy: -37.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -375.851862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.851862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.851862 (E_RNA)
where:
Base-Base interactions energy: -248.791
where: short stacking energy: -112.770
Base-Backbone interact. energy: 1.390
local terms energy: -128.450543
where:
bonds (distance) C4'-P energy: -26.429
bonds (distance) P-C4' energy: -35.617
flat angles C4'-P-C4' energy: -32.228
flat angles P-C4'-P energy: -17.787
tors. eta vs tors. theta energy: -16.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -309.120943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.120943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.120943 (E_RNA)
where:
Base-Base interactions energy: -196.065
where: short stacking energy: -80.708
Base-Backbone interact. energy: -0.603
local terms energy: -112.452987
where:
bonds (distance) C4'-P energy: -31.845
bonds (distance) P-C4' energy: -30.157
flat angles C4'-P-C4' energy: -27.683
flat angles P-C4'-P energy: -15.699
tors. eta vs tors. theta energy: -7.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -315.042262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.042262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.042262 (E_RNA)
where:
Base-Base interactions energy: -201.935
where: short stacking energy: -90.390
Base-Backbone interact. energy: 0.676
local terms energy: -113.782788
where:
bonds (distance) C4'-P energy: -31.601
bonds (distance) P-C4' energy: -26.954
flat angles C4'-P-C4' energy: -23.526
flat angles P-C4'-P energy: -23.648
tors. eta vs tors. theta energy: -8.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -178.108606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.108606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.108606 (E_RNA)
where:
Base-Base interactions energy: -77.674
where: short stacking energy: -49.117
Base-Backbone interact. energy: 4.419
local terms energy: -104.853715
where:
bonds (distance) C4'-P energy: -26.347
bonds (distance) P-C4' energy: -22.439
flat angles C4'-P-C4' energy: -32.567
flat angles P-C4'-P energy: -17.032
tors. eta vs tors. theta energy: -6.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -598.031305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.031305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.031305 (E_RNA)
where:
Base-Base interactions energy: -413.057
where: short stacking energy: -181.675
Base-Backbone interact. energy: -1.886
local terms energy: -183.088960
where:
bonds (distance) C4'-P energy: -34.876
bonds (distance) P-C4' energy: -40.273
flat angles C4'-P-C4' energy: -33.120
flat angles P-C4'-P energy: -25.642
tors. eta vs tors. theta energy: -49.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -589.212129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.212129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.212129 (E_RNA)
where:
Base-Base interactions energy: -418.592
where: short stacking energy: -179.300
Base-Backbone interact. energy: -1.095
local terms energy: -169.525622
where:
bonds (distance) C4'-P energy: -30.536
bonds (distance) P-C4' energy: -30.373
flat angles C4'-P-C4' energy: -33.848
flat angles P-C4'-P energy: -27.543
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: 3, replica: 4
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -556.207873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.207873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.207873 (E_RNA)
where:
Base-Base interactions energy: -393.761
where: short stacking energy: -167.921
Base-Backbone interact. energy: -0.963
local terms energy: -161.483885
where:
bonds (distance) C4'-P energy: -29.182
bonds (distance) P-C4' energy: -28.192
flat angles C4'-P-C4' energy: -38.939
flat angles P-C4'-P energy: -22.831
tors. eta vs tors. theta energy: -42.340
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: 4, replica: 8
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -505.347458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.347458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.347458 (E_RNA)
where:
Base-Base interactions energy: -352.154
where: short stacking energy: -130.153
Base-Backbone interact. energy: -0.737
local terms energy: -152.456675
where:
bonds (distance) C4'-P energy: -34.243
bonds (distance) P-C4' energy: -37.225
flat angles C4'-P-C4' energy: -35.938
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -32.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -496.152669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.152669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.152669 (E_RNA)
where:
Base-Base interactions energy: -330.039
where: short stacking energy: -147.519
Base-Backbone interact. energy: -0.406
local terms energy: -165.707821
where:
bonds (distance) C4'-P energy: -30.825
bonds (distance) P-C4' energy: -30.697
flat angles C4'-P-C4' energy: -35.075
flat angles P-C4'-P energy: -29.321
tors. eta vs tors. theta energy: -39.790
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: 3
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -493.867600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.867600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.867600 (E_RNA)
where:
Base-Base interactions energy: -337.800
where: short stacking energy: -142.157
Base-Backbone interact. energy: -0.791
local terms energy: -155.275862
where:
bonds (distance) C4'-P energy: -35.992
bonds (distance) P-C4' energy: -30.773
flat angles C4'-P-C4' energy: -32.241
flat angles P-C4'-P energy: -22.049
tors. eta vs tors. theta energy: -34.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -361.179183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.179183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.179183 (E_RNA)
where:
Base-Base interactions energy: -228.657
where: short stacking energy: -92.490
Base-Backbone interact. energy: -1.730
local terms energy: -130.791999
where:
bonds (distance) C4'-P energy: -32.277
bonds (distance) P-C4' energy: -34.495
flat angles C4'-P-C4' energy: -35.726
flat angles P-C4'-P energy: -16.228
tors. eta vs tors. theta energy: -12.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -336.204405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.204405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.204405 (E_RNA)
where:
Base-Base interactions energy: -213.012
where: short stacking energy: -97.204
Base-Backbone interact. energy: -0.257
local terms energy: -122.936317
where:
bonds (distance) C4'-P energy: -22.606
bonds (distance) P-C4' energy: -30.966
flat angles C4'-P-C4' energy: -30.665
flat angles P-C4'-P energy: -22.587
tors. eta vs tors. theta energy: -16.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -305.963294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.963294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.963294 (E_RNA)
where:
Base-Base interactions energy: -203.371
where: short stacking energy: -90.128
Base-Backbone interact. energy: 3.710
local terms energy: -106.302135
where:
bonds (distance) C4'-P energy: -27.848
bonds (distance) P-C4' energy: -30.015
flat angles C4'-P-C4' energy: -27.674
flat angles P-C4'-P energy: -14.960
tors. eta vs tors. theta energy: -5.804
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: 10
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -168.110687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.110687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.110687 (E_RNA)
where:
Base-Base interactions energy: -61.869
where: short stacking energy: -59.455
Base-Backbone interact. energy: -0.449
local terms energy: -105.792388
where:
bonds (distance) C4'-P energy: -25.905
bonds (distance) P-C4' energy: -24.100
flat angles C4'-P-C4' energy: -29.783
flat angles P-C4'-P energy: -19.248
tors. eta vs tors. theta energy: -6.757
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: 1, replica: 1
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -595.800569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.800569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.800569 (E_RNA)
where:
Base-Base interactions energy: -422.476
where: short stacking energy: -180.230
Base-Backbone interact. energy: -1.412
local terms energy: -171.912081
where:
bonds (distance) C4'-P energy: -31.952
bonds (distance) P-C4' energy: -38.143
flat angles C4'-P-C4' energy: -28.325
flat angles P-C4'-P energy: -23.749
tors. eta vs tors. theta energy: -49.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -598.289558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.289558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.289558 (E_RNA)
where:
Base-Base interactions energy: -419.619
where: short stacking energy: -166.993
Base-Backbone interact. energy: -2.191
local terms energy: -176.479437
where:
bonds (distance) C4'-P energy: -33.006
bonds (distance) P-C4' energy: -32.514
flat angles C4'-P-C4' energy: -37.671
flat angles P-C4'-P energy: -25.971
tors. eta vs tors. theta energy: -47.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -553.510508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.510508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.510508 (E_RNA)
where:
Base-Base interactions energy: -377.122
where: short stacking energy: -153.478
Base-Backbone interact. energy: -1.009
local terms energy: -175.380301
where:
bonds (distance) C4'-P energy: -32.366
bonds (distance) P-C4' energy: -31.586
flat angles C4'-P-C4' energy: -36.214
flat angles P-C4'-P energy: -29.239
tors. eta vs tors. theta energy: -45.976
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: 8
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -502.383675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.383675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.383675 (E_RNA)
where:
Base-Base interactions energy: -365.199
where: short stacking energy: -128.233
Base-Backbone interact. energy: -0.763
local terms energy: -136.422051
where:
bonds (distance) C4'-P energy: -22.576
bonds (distance) P-C4' energy: -26.811
flat angles C4'-P-C4' energy: -32.507
flat angles P-C4'-P energy: -24.842
tors. eta vs tors. theta energy: -29.686
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: 9
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -534.216652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.216652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.216652 (E_RNA)
where:
Base-Base interactions energy: -357.562
where: short stacking energy: -149.604
Base-Backbone interact. energy: -0.904
local terms energy: -175.750388
where:
bonds (distance) C4'-P energy: -31.781
bonds (distance) P-C4' energy: -38.411
flat angles C4'-P-C4' energy: -36.824
flat angles P-C4'-P energy: -23.095
tors. eta vs tors. theta energy: -45.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -496.964807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.964807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.964807 (E_RNA)
where:
Base-Base interactions energy: -341.321
where: short stacking energy: -160.817
Base-Backbone interact. energy: 0.073
local terms energy: -155.717161
where:
bonds (distance) C4'-P energy: -26.513
bonds (distance) P-C4' energy: -35.753
flat angles C4'-P-C4' energy: -25.132
flat angles P-C4'-P energy: -24.771
tors. eta vs tors. theta energy: -43.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -347.337094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.337094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.337094 (E_RNA)
where:
Base-Base interactions energy: -218.313
where: short stacking energy: -93.768
Base-Backbone interact. energy: -0.622
local terms energy: -128.401522
where:
bonds (distance) C4'-P energy: -27.361
bonds (distance) P-C4' energy: -37.182
flat angles C4'-P-C4' energy: -29.913
flat angles P-C4'-P energy: -20.150
tors. eta vs tors. theta energy: -13.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -360.540149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.540149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.540149 (E_RNA)
where:
Base-Base interactions energy: -246.423
where: short stacking energy: -101.156
Base-Backbone interact. energy: 0.168
local terms energy: -114.285397
where:
bonds (distance) C4'-P energy: -22.102
bonds (distance) P-C4' energy: -33.149
flat angles C4'-P-C4' energy: -27.396
flat angles P-C4'-P energy: -16.992
tors. eta vs tors. theta energy: -14.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -342.769838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.769838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.769838 (E_RNA)
where:
Base-Base interactions energy: -204.446
where: short stacking energy: -97.991
Base-Backbone interact. energy: 2.205
local terms energy: -140.528809
where:
bonds (distance) C4'-P energy: -37.296
bonds (distance) P-C4' energy: -31.623
flat angles C4'-P-C4' energy: -32.785
flat angles P-C4'-P energy: -17.015
tors. eta vs tors. theta energy: -21.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -153.197303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.197303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.197303 (E_RNA)
where:
Base-Base interactions energy: -61.293
where: short stacking energy: -53.670
Base-Backbone interact. energy: 1.853
local terms energy: -93.757733
where:
bonds (distance) C4'-P energy: -29.569
bonds (distance) P-C4' energy: -37.093
flat angles C4'-P-C4' energy: -9.414
flat angles P-C4'-P energy: -20.573
tors. eta vs tors. theta energy: 2.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -589.870526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.870526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.870526 (E_RNA)
where:
Base-Base interactions energy: -406.890
where: short stacking energy: -183.982
Base-Backbone interact. energy: -1.379
local terms energy: -181.601546
where:
bonds (distance) C4'-P energy: -33.985
bonds (distance) P-C4' energy: -26.813
flat angles C4'-P-C4' energy: -36.971
flat angles P-C4'-P energy: -31.927
tors. eta vs tors. theta energy: -51.905
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: 2
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -596.665744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.665744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.665744 (E_RNA)
where:
Base-Base interactions energy: -427.694
where: short stacking energy: -171.394
Base-Backbone interact. energy: -1.659
local terms energy: -167.312620
where:
bonds (distance) C4'-P energy: -28.434
bonds (distance) P-C4' energy: -33.322
flat angles C4'-P-C4' energy: -35.678
flat angles P-C4'-P energy: -25.029
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: 3, replica: 4
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -548.226361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.226361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.226361 (E_RNA)
where:
Base-Base interactions energy: -388.385
where: short stacking energy: -145.801
Base-Backbone interact. energy: -2.304
local terms energy: -157.537638
where:
bonds (distance) C4'-P energy: -30.724
bonds (distance) P-C4' energy: -31.763
flat angles C4'-P-C4' energy: -37.790
flat angles P-C4'-P energy: -18.264
tors. eta vs tors. theta energy: -38.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -512.212442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.212442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.212442 (E_RNA)
where:
Base-Base interactions energy: -344.485
where: short stacking energy: -146.291
Base-Backbone interact. energy: -0.892
local terms energy: -166.835394
where:
bonds (distance) C4'-P energy: -26.194
bonds (distance) P-C4' energy: -33.931
flat angles C4'-P-C4' energy: -39.902
flat angles P-C4'-P energy: -26.459
tors. eta vs tors. theta energy: -40.348
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: 5, replica: 9
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -531.775715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.775715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.775715 (E_RNA)
where:
Base-Base interactions energy: -365.413
where: short stacking energy: -159.740
Base-Backbone interact. energy: 0.409
local terms energy: -166.771371
where:
bonds (distance) C4'-P energy: -29.745
bonds (distance) P-C4' energy: -33.977
flat angles C4'-P-C4' energy: -32.228
flat angles P-C4'-P energy: -24.880
tors. eta vs tors. theta energy: -45.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -492.321889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.321889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.321889 (E_RNA)
where:
Base-Base interactions energy: -345.982
where: short stacking energy: -148.878
Base-Backbone interact. energy: -0.617
local terms energy: -145.723629
where:
bonds (distance) C4'-P energy: -24.123
bonds (distance) P-C4' energy: -30.354
flat angles C4'-P-C4' energy: -32.126
flat angles P-C4'-P energy: -18.369
tors. eta vs tors. theta energy: -40.752
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: 72
Temperature: 1.200000
Total energy: -369.098958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.098958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.098958 (E_RNA)
where:
Base-Base interactions energy: -223.083
where: short stacking energy: -115.657
Base-Backbone interact. energy: 0.666
local terms energy: -146.681316
where:
bonds (distance) C4'-P energy: -31.576
bonds (distance) P-C4' energy: -30.196
flat angles C4'-P-C4' energy: -30.923
flat angles P-C4'-P energy: -23.172
tors. eta vs tors. theta energy: -30.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -308.086458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.086458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.086458 (E_RNA)
where:
Base-Base interactions energy: -182.157
where: short stacking energy: -79.516
Base-Backbone interact. energy: -0.385
local terms energy: -125.544692
where:
bonds (distance) C4'-P energy: -38.080
bonds (distance) P-C4' energy: -31.462
flat angles C4'-P-C4' energy: -24.056
flat angles P-C4'-P energy: -24.536
tors. eta vs tors. theta energy: -7.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -330.398456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.398456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.398456 (E_RNA)
where:
Base-Base interactions energy: -208.354
where: short stacking energy: -91.921
Base-Backbone interact. energy: 2.033
local terms energy: -124.077698
where:
bonds (distance) C4'-P energy: -20.733
bonds (distance) P-C4' energy: -32.724
flat angles C4'-P-C4' energy: -36.704
flat angles P-C4'-P energy: -21.531
tors. eta vs tors. theta energy: -12.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -165.951029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.951029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.951029 (E_RNA)
where:
Base-Base interactions energy: -53.223
where: short stacking energy: -45.441
Base-Backbone interact. energy: 1.362
local terms energy: -114.090185
where:
bonds (distance) C4'-P energy: -31.497
bonds (distance) P-C4' energy: -35.546
flat angles C4'-P-C4' energy: -30.995
flat angles P-C4'-P energy: -14.154
tors. eta vs tors. theta energy: -1.898
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: 1, replica: 1
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -596.354519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.354519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.354519 (E_RNA)
where:
Base-Base interactions energy: -410.485
where: short stacking energy: -173.786
Base-Backbone interact. energy: -0.546
local terms energy: -185.323493
where:
bonds (distance) C4'-P energy: -36.705
bonds (distance) P-C4' energy: -38.275
flat angles C4'-P-C4' energy: -39.592
flat angles P-C4'-P energy: -23.932
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: 2, replica: 4
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -561.086791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.086791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.086791 (E_RNA)
where:
Base-Base interactions energy: -380.530
where: short stacking energy: -166.026
Base-Backbone interact. energy: -0.643
local terms energy: -179.913495
where:
bonds (distance) C4'-P energy: -33.596
bonds (distance) P-C4' energy: -34.415
flat angles C4'-P-C4' energy: -35.440
flat angles P-C4'-P energy: -28.600
tors. eta vs tors. theta energy: -47.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -585.565374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.565374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.565374 (E_RNA)
where:
Base-Base interactions energy: -406.233
where: short stacking energy: -169.381
Base-Backbone interact. energy: -2.189
local terms energy: -177.143350
where:
bonds (distance) C4'-P energy: -35.765
bonds (distance) P-C4' energy: -33.680
flat angles C4'-P-C4' energy: -37.576
flat angles P-C4'-P energy: -24.675
tors. eta vs tors. theta energy: -45.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -551.599189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.599189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.599189 (E_RNA)
where:
Base-Base interactions energy: -379.423
where: short stacking energy: -170.400
Base-Backbone interact. energy: 0.719
local terms energy: -172.894353
where:
bonds (distance) C4'-P energy: -34.525
bonds (distance) P-C4' energy: -31.936
flat angles C4'-P-C4' energy: -28.725
flat angles P-C4'-P energy: -27.279
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: 5, replica: 8
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -516.264670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.264670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.264670 (E_RNA)
where:
Base-Base interactions energy: -346.887
where: short stacking energy: -145.949
Base-Backbone interact. energy: 0.066
local terms energy: -169.443718
where:
bonds (distance) C4'-P energy: -33.637
bonds (distance) P-C4' energy: -31.892
flat angles C4'-P-C4' energy: -34.584
flat angles P-C4'-P energy: -27.135
tors. eta vs tors. theta energy: -42.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -499.202868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.202868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.202868 (E_RNA)
where:
Base-Base interactions energy: -348.087
where: short stacking energy: -147.172
Base-Backbone interact. energy: -1.195
local terms energy: -149.920297
where:
bonds (distance) C4'-P energy: -26.707
bonds (distance) P-C4' energy: -26.353
flat angles C4'-P-C4' energy: -36.628
flat angles P-C4'-P energy: -22.678
tors. eta vs tors. theta energy: -37.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -354.072068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.072068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.072068 (E_RNA)
where:
Base-Base interactions energy: -224.066
where: short stacking energy: -95.328
Base-Backbone interact. energy: 2.601
local terms energy: -132.607380
where:
bonds (distance) C4'-P energy: -29.243
bonds (distance) P-C4' energy: -29.786
flat angles C4'-P-C4' energy: -31.818
flat angles P-C4'-P energy: -24.241
tors. eta vs tors. theta energy: -17.519
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: 5
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -377.998271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.998271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.998271 (E_RNA)
where:
Base-Base interactions energy: -222.738
where: short stacking energy: -106.045
Base-Backbone interact. energy: -0.582
local terms energy: -154.678230
where:
bonds (distance) C4'-P energy: -34.871
bonds (distance) P-C4' energy: -33.411
flat angles C4'-P-C4' energy: -32.147
flat angles P-C4'-P energy: -26.117
tors. eta vs tors. theta energy: -28.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -331.413990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.413990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.413990 (E_RNA)
where:
Base-Base interactions energy: -205.177
where: short stacking energy: -100.838
Base-Backbone interact. energy: -0.591
local terms energy: -125.646072
where:
bonds (distance) C4'-P energy: -27.308
bonds (distance) P-C4' energy: -27.120
flat angles C4'-P-C4' energy: -34.873
flat angles P-C4'-P energy: -18.353
tors. eta vs tors. theta energy: -17.992
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: 10
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -159.740362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.740362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.740362 (E_RNA)
where:
Base-Base interactions energy: -69.474
where: short stacking energy: -36.459
Base-Backbone interact. energy: -0.224
local terms energy: -90.041598
where:
bonds (distance) C4'-P energy: -29.195
bonds (distance) P-C4' energy: -32.111
flat angles C4'-P-C4' energy: -22.996
flat angles P-C4'-P energy: -6.147
tors. eta vs tors. theta energy: 0.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -571.400308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.400308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.400308 (E_RNA)
where:
Base-Base interactions energy: -387.648
where: short stacking energy: -180.864
Base-Backbone interact. energy: -0.570
local terms energy: -183.182142
where:
bonds (distance) C4'-P energy: -38.420
bonds (distance) P-C4' energy: -34.742
flat angles C4'-P-C4' energy: -39.400
flat angles P-C4'-P energy: -24.001
tors. eta vs tors. theta energy: -46.619
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: 2, replica: 1
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -589.499185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.499185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.499185 (E_RNA)
where:
Base-Base interactions energy: -408.401
where: short stacking energy: -178.952
Base-Backbone interact. energy: -1.165
local terms energy: -179.932702
where:
bonds (distance) C4'-P energy: -32.168
bonds (distance) P-C4' energy: -34.283
flat angles C4'-P-C4' energy: -37.704
flat angles P-C4'-P energy: -25.249
tors. eta vs tors. theta energy: -50.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -593.660273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.660273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.660273 (E_RNA)
where:
Base-Base interactions energy: -416.571
where: short stacking energy: -163.606
Base-Backbone interact. energy: 0.034
local terms energy: -177.123268
where:
bonds (distance) C4'-P energy: -39.855
bonds (distance) P-C4' energy: -31.349
flat angles C4'-P-C4' energy: -37.150
flat angles P-C4'-P energy: -23.613
tors. eta vs tors. theta energy: -45.156
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: 9
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -537.404644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.404644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.404644 (E_RNA)
where:
Base-Base interactions energy: -367.631
where: short stacking energy: -170.882
Base-Backbone interact. energy: -0.765
local terms energy: -169.008017
where:
bonds (distance) C4'-P energy: -29.542
bonds (distance) P-C4' energy: -30.534
flat angles C4'-P-C4' energy: -37.302
flat angles P-C4'-P energy: -26.848
tors. eta vs tors. theta energy: -44.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -534.173404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.173404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.173404 (E_RNA)
where:
Base-Base interactions energy: -373.853
where: short stacking energy: -147.755
Base-Backbone interact. energy: 0.034
local terms energy: -160.354123
where:
bonds (distance) C4'-P energy: -33.354
bonds (distance) P-C4' energy: -31.908
flat angles C4'-P-C4' energy: -36.693
flat angles P-C4'-P energy: -21.952
tors. eta vs tors. theta energy: -36.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -482.145605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.145605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.145605 (E_RNA)
where:
Base-Base interactions energy: -333.042
where: short stacking energy: -143.843
Base-Backbone interact. energy: -1.463
local terms energy: -147.640646
where:
bonds (distance) C4'-P energy: -24.579
bonds (distance) P-C4' energy: -35.290
flat angles C4'-P-C4' energy: -33.042
flat angles P-C4'-P energy: -16.551
tors. eta vs tors. theta energy: -38.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -356.076074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.076074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.076074 (E_RNA)
where:
Base-Base interactions energy: -221.964
where: short stacking energy: -98.003
Base-Backbone interact. energy: 5.469
local terms energy: -139.580852
where:
bonds (distance) C4'-P energy: -34.462
bonds (distance) P-C4' energy: -28.736
flat angles C4'-P-C4' energy: -35.468
flat angles P-C4'-P energy: -22.039
tors. eta vs tors. theta energy: -18.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -340.840600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.840600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.840600 (E_RNA)
where:
Base-Base interactions energy: -211.289
where: short stacking energy: -98.294
Base-Backbone interact. energy: -2.290
local terms energy: -127.261687
where:
bonds (distance) C4'-P energy: -31.700
bonds (distance) P-C4' energy: -26.620
flat angles C4'-P-C4' energy: -33.032
flat angles P-C4'-P energy: -21.948
tors. eta vs tors. theta energy: -13.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -290.466720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.466720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.466720 (E_RNA)
where:
Base-Base interactions energy: -172.883
where: short stacking energy: -73.345
Base-Backbone interact. energy: 1.595
local terms energy: -119.178856
where:
bonds (distance) C4'-P energy: -22.867
bonds (distance) P-C4' energy: -33.221
flat angles C4'-P-C4' energy: -30.932
flat angles P-C4'-P energy: -19.341
tors. eta vs tors. theta energy: -12.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -243.261035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.261035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.261035 (E_RNA)
where:
Base-Base interactions energy: -135.596
where: short stacking energy: -75.109
Base-Backbone interact. energy: -1.230
local terms energy: -106.434675
where:
bonds (distance) C4'-P energy: -24.744
bonds (distance) P-C4' energy: -30.699
flat angles C4'-P-C4' energy: -24.329
flat angles P-C4'-P energy: -21.135
tors. eta vs tors. theta energy: -5.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -576.246576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.246576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.246576 (E_RNA)
where:
Base-Base interactions energy: -385.059
where: short stacking energy: -184.821
Base-Backbone interact. energy: -0.206
local terms energy: -190.981522
where:
bonds (distance) C4'-P energy: -33.253
bonds (distance) P-C4' energy: -38.805
flat angles C4'-P-C4' energy: -42.310
flat angles P-C4'-P energy: -27.747
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: 2, replica: 1
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -599.540690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.540690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.540690 (E_RNA)
where:
Base-Base interactions energy: -423.252
where: short stacking energy: -176.752
Base-Backbone interact. energy: -1.122
local terms energy: -175.166786
where:
bonds (distance) C4'-P energy: -37.298
bonds (distance) P-C4' energy: -34.800
flat angles C4'-P-C4' energy: -30.614
flat angles P-C4'-P energy: -25.209
tors. eta vs tors. theta energy: -47.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -582.430591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.430591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.430591 (E_RNA)
where:
Base-Base interactions energy: -418.130
where: short stacking energy: -169.381
Base-Backbone interact. energy: -0.597
local terms energy: -163.703427
where:
bonds (distance) C4'-P energy: -35.662
bonds (distance) P-C4' energy: -32.469
flat angles C4'-P-C4' energy: -31.657
flat angles P-C4'-P energy: -27.629
tors. eta vs tors. theta energy: -36.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -557.921488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.921488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.921488 (E_RNA)
where:
Base-Base interactions energy: -377.301
where: short stacking energy: -174.453
Base-Backbone interact. energy: -1.143
local terms energy: -179.477315
where:
bonds (distance) C4'-P energy: -31.350
bonds (distance) P-C4' energy: -34.025
flat angles C4'-P-C4' energy: -35.229
flat angles P-C4'-P energy: -26.400
tors. eta vs tors. theta energy: -52.474
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: 3
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -520.893622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.893622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.893622 (E_RNA)
where:
Base-Base interactions energy: -372.504
where: short stacking energy: -151.988
Base-Backbone interact. energy: -0.571
local terms energy: -147.818227
where:
bonds (distance) C4'-P energy: -34.703
bonds (distance) P-C4' energy: -26.985
flat angles C4'-P-C4' energy: -32.676
flat angles P-C4'-P energy: -22.460
tors. eta vs tors. theta energy: -30.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -491.664325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.664325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.664325 (E_RNA)
where:
Base-Base interactions energy: -346.916
where: short stacking energy: -147.062
Base-Backbone interact. energy: -0.999
local terms energy: -143.749143
where:
bonds (distance) C4'-P energy: -32.964
bonds (distance) P-C4' energy: -29.351
flat angles C4'-P-C4' energy: -22.605
flat angles P-C4'-P energy: -18.848
tors. eta vs tors. theta energy: -39.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -384.315088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.315088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.315088 (E_RNA)
where:
Base-Base interactions energy: -248.130
where: short stacking energy: -113.468
Base-Backbone interact. energy: 0.358
local terms energy: -136.542982
where:
bonds (distance) C4'-P energy: -37.085
bonds (distance) P-C4' energy: -27.821
flat angles C4'-P-C4' energy: -27.933
flat angles P-C4'-P energy: -21.146
tors. eta vs tors. theta energy: -22.558
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: 7
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -307.112573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.112573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.112573 (E_RNA)
where:
Base-Base interactions energy: -185.801
where: short stacking energy: -94.601
Base-Backbone interact. energy: -0.087
local terms energy: -121.224423
where:
bonds (distance) C4'-P energy: -31.617
bonds (distance) P-C4' energy: -35.493
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -17.188
tors. eta vs tors. theta energy: -19.443
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: 5
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -344.656309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.656309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.656309 (E_RNA)
where:
Base-Base interactions energy: -230.651
where: short stacking energy: -107.386
Base-Backbone interact. energy: -0.432
local terms energy: -113.573324
where:
bonds (distance) C4'-P energy: -24.652
bonds (distance) P-C4' energy: -27.597
flat angles C4'-P-C4' energy: -24.117
flat angles P-C4'-P energy: -22.710
tors. eta vs tors. theta energy: -14.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -241.468298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.468298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.468298 (E_RNA)
where:
Base-Base interactions energy: -130.581
where: short stacking energy: -77.130
Base-Backbone interact. energy: 0.187
local terms energy: -111.075072
where:
bonds (distance) C4'-P energy: -32.388
bonds (distance) P-C4' energy: -29.313
flat angles C4'-P-C4' energy: -29.982
flat angles P-C4'-P energy: -15.431
tors. eta vs tors. theta energy: -3.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -610.797043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.797043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.797043 (E_RNA)
where:
Base-Base interactions energy: -431.187
where: short stacking energy: -179.738
Base-Backbone interact. energy: -1.300
local terms energy: -178.310610
where:
bonds (distance) C4'-P energy: -30.714
bonds (distance) P-C4' energy: -38.395
flat angles C4'-P-C4' energy: -33.336
flat angles P-C4'-P energy: -27.233
tors. eta vs tors. theta energy: -48.633
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: 4
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -542.225167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.225167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.225167 (E_RNA)
where:
Base-Base interactions energy: -384.847
where: short stacking energy: -158.388
Base-Backbone interact. energy: -1.470
local terms energy: -155.907865
where:
bonds (distance) C4'-P energy: -30.541
bonds (distance) P-C4' energy: -33.786
flat angles C4'-P-C4' energy: -32.225
flat angles P-C4'-P energy: -23.039
tors. eta vs tors. theta energy: -36.317
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: 76
Temperature: 1.000000
Total energy: -603.737208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.737208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.737208 (E_RNA)
where:
Base-Base interactions energy: -434.774
where: short stacking energy: -186.310
Base-Backbone interact. energy: -0.511
local terms energy: -168.452985
where:
bonds (distance) C4'-P energy: -29.955
bonds (distance) P-C4' energy: -34.475
flat angles C4'-P-C4' energy: -38.570
flat angles P-C4'-P energy: -15.393
tors. eta vs tors. theta energy: -50.061
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: 9
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -544.767423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.767423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.767423 (E_RNA)
where:
Base-Base interactions energy: -379.745
where: short stacking energy: -166.995
Base-Backbone interact. energy: -0.353
local terms energy: -164.669682
where:
bonds (distance) C4'-P energy: -35.374
bonds (distance) P-C4' energy: -24.331
flat angles C4'-P-C4' energy: -34.936
flat angles P-C4'-P energy: -29.121
tors. eta vs tors. theta energy: -40.908
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: 5, replica: 3
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -511.997661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.997661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.997661 (E_RNA)
where:
Base-Base interactions energy: -349.824
where: short stacking energy: -148.585
Base-Backbone interact. energy: -1.116
local terms energy: -161.058238
where:
bonds (distance) C4'-P energy: -34.569
bonds (distance) P-C4' energy: -28.577
flat angles C4'-P-C4' energy: -44.112
flat angles P-C4'-P energy: -25.676
tors. eta vs tors. theta energy: -28.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -483.843933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.843933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.843933 (E_RNA)
where:
Base-Base interactions energy: -326.568
where: short stacking energy: -137.116
Base-Backbone interact. energy: -1.128
local terms energy: -156.148046
where:
bonds (distance) C4'-P energy: -35.445
bonds (distance) P-C4' energy: -29.516
flat angles C4'-P-C4' energy: -34.249
flat angles P-C4'-P energy: -17.298
tors. eta vs tors. theta energy: -39.641
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: 7
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -343.000582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.000582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.000582 (E_RNA)
where:
Base-Base interactions energy: -224.995
where: short stacking energy: -122.889
Base-Backbone interact. energy: 3.028
local terms energy: -121.033642
where:
bonds (distance) C4'-P energy: -25.390
bonds (distance) P-C4' energy: -26.441
flat angles C4'-P-C4' energy: -28.762
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -28.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -350.504868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.504868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.504868 (E_RNA)
where:
Base-Base interactions energy: -219.350
where: short stacking energy: -103.528
Base-Backbone interact. energy: -0.057
local terms energy: -131.097823
where:
bonds (distance) C4'-P energy: -25.157
bonds (distance) P-C4' energy: -31.365
flat angles C4'-P-C4' energy: -29.699
flat angles P-C4'-P energy: -19.681
tors. eta vs tors. theta energy: -25.197
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: 5
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -386.608016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.608016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.608016 (E_RNA)
where:
Base-Base interactions energy: -247.853
where: short stacking energy: -121.913
Base-Backbone interact. energy: -0.350
local terms energy: -138.405101
where:
bonds (distance) C4'-P energy: -27.286
bonds (distance) P-C4' energy: -33.160
flat angles C4'-P-C4' energy: -25.747
flat angles P-C4'-P energy: -25.209
tors. eta vs tors. theta energy: -27.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -220.711777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.711777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.711777 (E_RNA)
where:
Base-Base interactions energy: -117.455
where: short stacking energy: -68.116
Base-Backbone interact. energy: 0.051
local terms energy: -103.308188
where:
bonds (distance) C4'-P energy: -29.352
bonds (distance) P-C4' energy: -29.170
flat angles C4'-P-C4' energy: -22.092
flat angles P-C4'-P energy: -17.794
tors. eta vs tors. theta energy: -4.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -607.165909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.165909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.165909 (E_RNA)
where:
Base-Base interactions energy: -422.129
where: short stacking energy: -177.625
Base-Backbone interact. energy: -2.082
local terms energy: -182.954503
where:
bonds (distance) C4'-P energy: -32.380
bonds (distance) P-C4' energy: -35.158
flat angles C4'-P-C4' energy: -37.645
flat angles P-C4'-P energy: -28.116
tors. eta vs tors. theta energy: -49.655
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: 2, replica: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -602.802385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.802385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.802385 (E_RNA)
where:
Base-Base interactions energy: -427.468
where: short stacking energy: -172.214
Base-Backbone interact. energy: -0.063
local terms energy: -175.271471
where:
bonds (distance) C4'-P energy: -29.683
bonds (distance) P-C4' energy: -34.556
flat angles C4'-P-C4' energy: -33.361
flat angles P-C4'-P energy: -27.794
tors. eta vs tors. theta energy: -49.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -545.029486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.029486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.029486 (E_RNA)
where:
Base-Base interactions energy: -392.456
where: short stacking energy: -161.469
Base-Backbone interact. energy: -0.401
local terms energy: -152.172655
where:
bonds (distance) C4'-P energy: -28.128
bonds (distance) P-C4' energy: -31.393
flat angles C4'-P-C4' energy: -36.666
flat angles P-C4'-P energy: -20.578
tors. eta vs tors. theta energy: -35.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -519.189932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.189932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.189932 (E_RNA)
where:
Base-Base interactions energy: -364.345
where: short stacking energy: -156.454
Base-Backbone interact. energy: 1.193
local terms energy: -156.037910
where:
bonds (distance) C4'-P energy: -32.848
bonds (distance) P-C4' energy: -29.335
flat angles C4'-P-C4' energy: -31.100
flat angles P-C4'-P energy: -24.897
tors. eta vs tors. theta energy: -37.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -526.450058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.450058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.450058 (E_RNA)
where:
Base-Base interactions energy: -368.201
where: short stacking energy: -161.266
Base-Backbone interact. energy: -0.469
local terms energy: -157.779762
where:
bonds (distance) C4'-P energy: -33.726
bonds (distance) P-C4' energy: -30.503
flat angles C4'-P-C4' energy: -32.807
flat angles P-C4'-P energy: -21.130
tors. eta vs tors. theta energy: -39.614
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: 8
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -511.768867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.768867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.768867 (E_RNA)
where:
Base-Base interactions energy: -348.817
where: short stacking energy: -149.486
Base-Backbone interact. energy: 0.181
local terms energy: -163.131956
where:
bonds (distance) C4'-P energy: -29.264
bonds (distance) P-C4' energy: -33.179
flat angles C4'-P-C4' energy: -31.057
flat angles P-C4'-P energy: -24.595
tors. eta vs tors. theta energy: -45.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -327.398039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.398039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.398039 (E_RNA)
where:
Base-Base interactions energy: -214.005
where: short stacking energy: -95.651
Base-Backbone interact. energy: 0.871
local terms energy: -114.264544
where:
bonds (distance) C4'-P energy: -19.821
bonds (distance) P-C4' energy: -28.118
flat angles C4'-P-C4' energy: -30.167
flat angles P-C4'-P energy: -18.333
tors. eta vs tors. theta energy: -17.826
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: 5
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -353.908850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.908850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.908850 (E_RNA)
where:
Base-Base interactions energy: -222.424
where: short stacking energy: -103.335
Base-Backbone interact. energy: -0.942
local terms energy: -130.542129
where:
bonds (distance) C4'-P energy: -27.615
bonds (distance) P-C4' energy: -31.591
flat angles C4'-P-C4' energy: -29.553
flat angles P-C4'-P energy: -20.800
tors. eta vs tors. theta energy: -20.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -314.699485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.699485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.699485 (E_RNA)
where:
Base-Base interactions energy: -198.418
where: short stacking energy: -93.350
Base-Backbone interact. energy: -0.534
local terms energy: -115.747834
where:
bonds (distance) C4'-P energy: -35.187
bonds (distance) P-C4' energy: -31.221
flat angles C4'-P-C4' energy: -26.773
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -13.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -215.854318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.854318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.854318 (E_RNA)
where:
Base-Base interactions energy: -132.135
where: short stacking energy: -72.488
Base-Backbone interact. energy: 0.649
local terms energy: -84.368778
where:
bonds (distance) C4'-P energy: -19.690
bonds (distance) P-C4' energy: -22.422
flat angles C4'-P-C4' energy: -26.546
flat angles P-C4'-P energy: -18.420
tors. eta vs tors. theta energy: 2.708
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: 2
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -624.900182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.900182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.900182 (E_RNA)
where:
Base-Base interactions energy: -432.717
where: short stacking energy: -180.399
Base-Backbone interact. energy: 1.112
local terms energy: -193.295363
where:
bonds (distance) C4'-P energy: -39.829
bonds (distance) P-C4' energy: -34.760
flat angles C4'-P-C4' energy: -35.592
flat angles P-C4'-P energy: -33.220
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: 2, replica: 1
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -600.162917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.162917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.162917 (E_RNA)
where:
Base-Base interactions energy: -417.738
where: short stacking energy: -170.981
Base-Backbone interact. energy: -0.912
local terms energy: -181.513120
where:
bonds (distance) C4'-P energy: -36.645
bonds (distance) P-C4' energy: -35.043
flat angles C4'-P-C4' energy: -38.484
flat angles P-C4'-P energy: -26.795
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: 3, replica: 3
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -514.233287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.233287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.233287 (E_RNA)
where:
Base-Base interactions energy: -348.209
where: short stacking energy: -142.300
Base-Backbone interact. energy: -1.038
local terms energy: -164.986430
where:
bonds (distance) C4'-P energy: -32.206
bonds (distance) P-C4' energy: -37.904
flat angles C4'-P-C4' energy: -34.698
flat angles P-C4'-P energy: -25.994
tors. eta vs tors. theta energy: -34.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -545.629675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.629675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.629675 (E_RNA)
where:
Base-Base interactions energy: -377.514
where: short stacking energy: -159.837
Base-Backbone interact. energy: -0.003
local terms energy: -168.113070
where:
bonds (distance) C4'-P energy: -34.732
bonds (distance) P-C4' energy: -37.790
flat angles C4'-P-C4' energy: -28.461
flat angles P-C4'-P energy: -21.668
tors. eta vs tors. theta energy: -45.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -526.279288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.279288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.279288 (E_RNA)
where:
Base-Base interactions energy: -355.124
where: short stacking energy: -170.053
Base-Backbone interact. energy: -0.986
local terms energy: -170.169991
where:
bonds (distance) C4'-P energy: -34.222
bonds (distance) P-C4' energy: -31.849
flat angles C4'-P-C4' energy: -36.315
flat angles P-C4'-P energy: -21.390
tors. eta vs tors. theta energy: -46.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -475.682937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.682937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.682937 (E_RNA)
where:
Base-Base interactions energy: -328.331
where: short stacking energy: -132.424
Base-Backbone interact. energy: -0.561
local terms energy: -146.791559
where:
bonds (distance) C4'-P energy: -28.908
bonds (distance) P-C4' energy: -32.000
flat angles C4'-P-C4' energy: -34.573
flat angles P-C4'-P energy: -14.721
tors. eta vs tors. theta energy: -36.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -335.927186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.927186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.927186 (E_RNA)
where:
Base-Base interactions energy: -225.827
where: short stacking energy: -92.792
Base-Backbone interact. energy: -0.617
local terms energy: -109.483084
where:
bonds (distance) C4'-P energy: -33.042
bonds (distance) P-C4' energy: -21.627
flat angles C4'-P-C4' energy: -26.006
flat angles P-C4'-P energy: -19.498
tors. eta vs tors. theta energy: -9.310
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: 5
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -348.136510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.136510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.136510 (E_RNA)
where:
Base-Base interactions energy: -213.165
where: short stacking energy: -98.134
Base-Backbone interact. energy: 1.132
local terms energy: -136.103453
where:
bonds (distance) C4'-P energy: -26.575
bonds (distance) P-C4' energy: -32.460
flat angles C4'-P-C4' energy: -31.185
flat angles P-C4'-P energy: -26.487
tors. eta vs tors. theta energy: -19.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -353.751334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.751334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.751334 (E_RNA)
where:
Base-Base interactions energy: -230.718
where: short stacking energy: -93.096
Base-Backbone interact. energy: -1.237
local terms energy: -121.795847
where:
bonds (distance) C4'-P energy: -27.308
bonds (distance) P-C4' energy: -31.459
flat angles C4'-P-C4' energy: -29.830
flat angles P-C4'-P energy: -18.726
tors. eta vs tors. theta energy: -14.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -233.542939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.542939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.542939 (E_RNA)
where:
Base-Base interactions energy: -129.275
where: short stacking energy: -71.612
Base-Backbone interact. energy: -0.621
local terms energy: -103.647367
where:
bonds (distance) C4'-P energy: -27.592
bonds (distance) P-C4' energy: -32.450
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -20.228
tors. eta vs tors. theta energy: -5.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -607.129085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.129085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.129085 (E_RNA)
where:
Base-Base interactions energy: -423.002
where: short stacking energy: -170.302
Base-Backbone interact. energy: -0.339
local terms energy: -183.788436
where:
bonds (distance) C4'-P energy: -34.865
bonds (distance) P-C4' energy: -36.049
flat angles C4'-P-C4' energy: -37.717
flat angles P-C4'-P energy: -26.068
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: 2, replica: 1
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -597.193775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.193775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.193775 (E_RNA)
where:
Base-Base interactions energy: -416.577
where: short stacking energy: -174.115
Base-Backbone interact. energy: -0.564
local terms energy: -180.052805
where:
bonds (distance) C4'-P energy: -31.836
bonds (distance) P-C4' energy: -35.525
flat angles C4'-P-C4' energy: -35.903
flat angles P-C4'-P energy: -31.856
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: 3, replica: 3
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -516.968685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.968685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.968685 (E_RNA)
where:
Base-Base interactions energy: -356.656
where: short stacking energy: -151.180
Base-Backbone interact. energy: -0.011
local terms energy: -160.301968
where:
bonds (distance) C4'-P energy: -31.987
bonds (distance) P-C4' energy: -35.527
flat angles C4'-P-C4' energy: -35.850
flat angles P-C4'-P energy: -25.510
tors. eta vs tors. theta energy: -31.428
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: 9
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -530.638650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.638650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.638650 (E_RNA)
where:
Base-Base interactions energy: -354.711
where: short stacking energy: -163.543
Base-Backbone interact. energy: -0.045
local terms energy: -175.882004
where:
bonds (distance) C4'-P energy: -30.327
bonds (distance) P-C4' energy: -40.838
flat angles C4'-P-C4' energy: -33.930
flat angles P-C4'-P energy: -23.765
tors. eta vs tors. theta energy: -47.022
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: 4
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -554.357733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.357733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.357733 (E_RNA)
where:
Base-Base interactions energy: -393.969
where: short stacking energy: -167.748
Base-Backbone interact. energy: -1.234
local terms energy: -159.155530
where:
bonds (distance) C4'-P energy: -22.674
bonds (distance) P-C4' energy: -35.301
flat angles C4'-P-C4' energy: -29.044
flat angles P-C4'-P energy: -28.370
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: 6, replica: 8
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -476.531093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.531093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.531093 (E_RNA)
where:
Base-Base interactions energy: -324.808
where: short stacking energy: -139.004
Base-Backbone interact. energy: -0.288
local terms energy: -151.434874
where:
bonds (distance) C4'-P energy: -28.853
bonds (distance) P-C4' energy: -32.739
flat angles C4'-P-C4' energy: -32.935
flat angles P-C4'-P energy: -17.377
tors. eta vs tors. theta energy: -39.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -361.939969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.939969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.939969 (E_RNA)
where:
Base-Base interactions energy: -230.282
where: short stacking energy: -88.498
Base-Backbone interact. energy: -0.828
local terms energy: -130.829963
where:
bonds (distance) C4'-P energy: -27.071
bonds (distance) P-C4' energy: -40.771
flat angles C4'-P-C4' energy: -27.699
flat angles P-C4'-P energy: -21.790
tors. eta vs tors. theta energy: -13.500
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: 6
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -365.002774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.002774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.002774 (E_RNA)
where:
Base-Base interactions energy: -247.550
where: short stacking energy: -118.978
Base-Backbone interact. energy: -0.890
local terms energy: -116.563183
where:
bonds (distance) C4'-P energy: -20.367
bonds (distance) P-C4' energy: -23.922
flat angles C4'-P-C4' energy: -34.354
flat angles P-C4'-P energy: -12.510
tors. eta vs tors. theta energy: -25.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -307.293503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.293503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.293503 (E_RNA)
where:
Base-Base interactions energy: -189.509
where: short stacking energy: -101.401
Base-Backbone interact. energy: -0.336
local terms energy: -117.448906
where:
bonds (distance) C4'-P energy: -29.438
bonds (distance) P-C4' energy: -31.430
flat angles C4'-P-C4' energy: -22.922
flat angles P-C4'-P energy: -14.983
tors. eta vs tors. theta energy: -18.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -257.956093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.956093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.956093 (E_RNA)
where:
Base-Base interactions energy: -150.858
where: short stacking energy: -77.616
Base-Backbone interact. energy: 0.368
local terms energy: -107.465920
where:
bonds (distance) C4'-P energy: -28.828
bonds (distance) P-C4' energy: -25.583
flat angles C4'-P-C4' energy: -24.781
flat angles P-C4'-P energy: -6.408
tors. eta vs tors. theta energy: -21.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -618.286792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.286792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.286792 (E_RNA)
where:
Base-Base interactions energy: -441.764
where: short stacking energy: -179.558
Base-Backbone interact. energy: 0.223
local terms energy: -176.746470
where:
bonds (distance) C4'-P energy: -29.546
bonds (distance) P-C4' energy: -36.657
flat angles C4'-P-C4' energy: -32.765
flat angles P-C4'-P energy: -27.254
tors. eta vs tors. theta energy: -50.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -596.235329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.235329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.235329 (E_RNA)
where:
Base-Base interactions energy: -419.580
where: short stacking energy: -169.944
Base-Backbone interact. energy: -0.903
local terms energy: -175.752324
where:
bonds (distance) C4'-P energy: -31.860
bonds (distance) P-C4' energy: -37.237
flat angles C4'-P-C4' energy: -37.773
flat angles P-C4'-P energy: -24.385
tors. eta vs tors. theta energy: -44.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -548.150484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.150484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.150484 (E_RNA)
where:
Base-Base interactions energy: -365.014
where: short stacking energy: -159.151
Base-Backbone interact. energy: -0.172
local terms energy: -182.965107
where:
bonds (distance) C4'-P energy: -32.607
bonds (distance) P-C4' energy: -39.114
flat angles C4'-P-C4' energy: -37.455
flat angles P-C4'-P energy: -27.890
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: 4, replica: 3
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -488.220552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.220552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.220552 (E_RNA)
where:
Base-Base interactions energy: -335.764
where: short stacking energy: -127.842
Base-Backbone interact. energy: -0.636
local terms energy: -151.820675
where:
bonds (distance) C4'-P energy: -39.114
bonds (distance) P-C4' energy: -33.970
flat angles C4'-P-C4' energy: -33.740
flat angles P-C4'-P energy: -17.988
tors. eta vs tors. theta energy: -27.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -478.659676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.659676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.659676 (E_RNA)
where:
Base-Base interactions energy: -319.731
where: short stacking energy: -132.436
Base-Backbone interact. energy: -0.253
local terms energy: -158.675152
where:
bonds (distance) C4'-P energy: -29.077
bonds (distance) P-C4' energy: -32.903
flat angles C4'-P-C4' energy: -37.754
flat angles P-C4'-P energy: -26.794
tors. eta vs tors. theta energy: -32.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -503.844308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.844308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.844308 (E_RNA)
where:
Base-Base interactions energy: -354.944
where: short stacking energy: -160.214
Base-Backbone interact. energy: -0.338
local terms energy: -148.561807
where:
bonds (distance) C4'-P energy: -22.858
bonds (distance) P-C4' energy: -27.637
flat angles C4'-P-C4' energy: -32.963
flat angles P-C4'-P energy: -21.423
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: 7, replica: 6
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -372.741977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.741977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.741977 (E_RNA)
where:
Base-Base interactions energy: -231.146
where: short stacking energy: -127.644
Base-Backbone interact. energy: -0.747
local terms energy: -140.848929
where:
bonds (distance) C4'-P energy: -31.599
bonds (distance) P-C4' energy: -30.291
flat angles C4'-P-C4' energy: -26.815
flat angles P-C4'-P energy: -20.542
tors. eta vs tors. theta energy: -31.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -343.697802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.697802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.697802 (E_RNA)
where:
Base-Base interactions energy: -231.264
where: short stacking energy: -92.256
Base-Backbone interact. energy: -0.001
local terms energy: -112.432637
where:
bonds (distance) C4'-P energy: -23.092
bonds (distance) P-C4' energy: -33.418
flat angles C4'-P-C4' energy: -23.921
flat angles P-C4'-P energy: -17.459
tors. eta vs tors. theta energy: -14.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -283.391223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.391223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.391223 (E_RNA)
where:
Base-Base interactions energy: -166.989
where: short stacking energy: -80.713
Base-Backbone interact. energy: 0.349
local terms energy: -116.751290
where:
bonds (distance) C4'-P energy: -25.008
bonds (distance) P-C4' energy: -33.790
flat angles C4'-P-C4' energy: -34.693
flat angles P-C4'-P energy: -17.195
tors. eta vs tors. theta energy: -6.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -242.505583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.505583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.505583 (E_RNA)
where:
Base-Base interactions energy: -121.864
where: short stacking energy: -76.207
Base-Backbone interact. energy: 1.876
local terms energy: -122.517294
where:
bonds (distance) C4'-P energy: -28.424
bonds (distance) P-C4' energy: -35.975
flat angles C4'-P-C4' energy: -29.549
flat angles P-C4'-P energy: -21.223
tors. eta vs tors. theta energy: -7.346
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: 81
Temperature: 0.900000
Total energy: -608.193239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.193239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.193239 (E_RNA)
where:
Base-Base interactions energy: -422.029
where: short stacking energy: -171.667
Base-Backbone interact. energy: -1.056
local terms energy: -185.108345
where:
bonds (distance) C4'-P energy: -35.476
bonds (distance) P-C4' energy: -33.947
flat angles C4'-P-C4' energy: -37.608
flat angles P-C4'-P energy: -29.744
tors. eta vs tors. theta energy: -48.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -592.936057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.936057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.936057 (E_RNA)
where:
Base-Base interactions energy: -421.062
where: short stacking energy: -178.393
Base-Backbone interact. energy: 1.846
local terms energy: -173.719926
where:
bonds (distance) C4'-P energy: -30.944
bonds (distance) P-C4' energy: -32.749
flat angles C4'-P-C4' energy: -41.354
flat angles P-C4'-P energy: -21.624
tors. eta vs tors. theta energy: -47.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -555.251152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.251152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.251152 (E_RNA)
where:
Base-Base interactions energy: -375.661
where: short stacking energy: -169.395
Base-Backbone interact. energy: -0.071
local terms energy: -179.519333
where:
bonds (distance) C4'-P energy: -37.754
bonds (distance) P-C4' energy: -32.758
flat angles C4'-P-C4' energy: -38.440
flat angles P-C4'-P energy: -24.805
tors. eta vs tors. theta energy: -45.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -498.071697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.071697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.071697 (E_RNA)
where:
Base-Base interactions energy: -357.805
where: short stacking energy: -147.478
Base-Backbone interact. energy: -0.539
local terms energy: -139.727429
where:
bonds (distance) C4'-P energy: -28.785
bonds (distance) P-C4' energy: -28.082
flat angles C4'-P-C4' energy: -35.961
flat angles P-C4'-P energy: -19.166
tors. eta vs tors. theta energy: -27.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -501.944992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.944992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.944992 (E_RNA)
where:
Base-Base interactions energy: -347.830
where: short stacking energy: -143.363
Base-Backbone interact. energy: -0.097
local terms energy: -154.017795
where:
bonds (distance) C4'-P energy: -33.939
bonds (distance) P-C4' energy: -34.573
flat angles C4'-P-C4' energy: -37.646
flat angles P-C4'-P energy: -13.642
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: 6, replica: 4
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -507.956070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.956070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.956070 (E_RNA)
where:
Base-Base interactions energy: -362.807
where: short stacking energy: -146.601
Base-Backbone interact. energy: -0.367
local terms energy: -144.781654
where:
bonds (distance) C4'-P energy: -29.927
bonds (distance) P-C4' energy: -25.299
flat angles C4'-P-C4' energy: -32.329
flat angles P-C4'-P energy: -14.753
tors. eta vs tors. theta energy: -42.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -368.177779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.177779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.177779 (E_RNA)
where:
Base-Base interactions energy: -245.383
where: short stacking energy: -105.011
Base-Backbone interact. energy: -0.478
local terms energy: -122.316704
where:
bonds (distance) C4'-P energy: -36.505
bonds (distance) P-C4' energy: -33.170
flat angles C4'-P-C4' energy: -21.458
flat angles P-C4'-P energy: -13.297
tors. eta vs tors. theta energy: -17.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -281.181350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.181350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.181350 (E_RNA)
where:
Base-Base interactions energy: -152.827
where: short stacking energy: -65.745
Base-Backbone interact. energy: -0.608
local terms energy: -127.746302
where:
bonds (distance) C4'-P energy: -31.280
bonds (distance) P-C4' energy: -25.905
flat angles C4'-P-C4' energy: -39.675
flat angles P-C4'-P energy: -24.451
tors. eta vs tors. theta energy: -6.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -373.503957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.503957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.503957 (E_RNA)
where:
Base-Base interactions energy: -254.303
where: short stacking energy: -97.543
Base-Backbone interact. energy: -0.429
local terms energy: -118.772207
where:
bonds (distance) C4'-P energy: -31.177
bonds (distance) P-C4' energy: -26.852
flat angles C4'-P-C4' energy: -19.684
flat angles P-C4'-P energy: -19.855
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: 10, replica: 10
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -247.996009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.996009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.996009 (E_RNA)
where:
Base-Base interactions energy: -135.582
where: short stacking energy: -81.996
Base-Backbone interact. energy: 0.088
local terms energy: -112.501307
where:
bonds (distance) C4'-P energy: -28.539
bonds (distance) P-C4' energy: -29.087
flat angles C4'-P-C4' energy: -32.344
flat angles P-C4'-P energy: -14.614
tors. eta vs tors. theta energy: -7.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -608.520583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.520583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.520583 (E_RNA)
where:
Base-Base interactions energy: -436.214
where: short stacking energy: -178.881
Base-Backbone interact. energy: -0.868
local terms energy: -171.438986
where:
bonds (distance) C4'-P energy: -32.827
bonds (distance) P-C4' energy: -32.846
flat angles C4'-P-C4' energy: -33.880
flat angles P-C4'-P energy: -25.462
tors. eta vs tors. theta energy: -46.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -600.097007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.097007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.097007 (E_RNA)
where:
Base-Base interactions energy: -420.434
where: short stacking energy: -177.403
Base-Backbone interact. energy: -1.764
local terms energy: -177.898164
where:
bonds (distance) C4'-P energy: -32.086
bonds (distance) P-C4' energy: -33.631
flat angles C4'-P-C4' energy: -40.471
flat angles P-C4'-P energy: -21.239
tors. eta vs tors. theta energy: -50.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -556.343552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.343552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.343552 (E_RNA)
where:
Base-Base interactions energy: -374.417
where: short stacking energy: -184.919
Base-Backbone interact. energy: -0.024
local terms energy: -181.902933
where:
bonds (distance) C4'-P energy: -30.542
bonds (distance) P-C4' energy: -33.250
flat angles C4'-P-C4' energy: -39.915
flat angles P-C4'-P energy: -24.433
tors. eta vs tors. theta energy: -53.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -508.474253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.474253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.474253 (E_RNA)
where:
Base-Base interactions energy: -362.263
where: short stacking energy: -147.445
Base-Backbone interact. energy: -0.740
local terms energy: -145.471566
where:
bonds (distance) C4'-P energy: -32.825
bonds (distance) P-C4' energy: -21.682
flat angles C4'-P-C4' energy: -35.618
flat angles P-C4'-P energy: -21.449
tors. eta vs tors. theta energy: -33.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -498.358776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.358776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.358776 (E_RNA)
where:
Base-Base interactions energy: -341.214
where: short stacking energy: -140.611
Base-Backbone interact. energy: -0.849
local terms energy: -156.295543
where:
bonds (distance) C4'-P energy: -38.814
bonds (distance) P-C4' energy: -24.008
flat angles C4'-P-C4' energy: -32.143
flat angles P-C4'-P energy: -20.494
tors. eta vs tors. theta energy: -40.837
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: 4
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -504.825349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.825349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.825349 (E_RNA)
where:
Base-Base interactions energy: -347.469
where: short stacking energy: -149.024
Base-Backbone interact. energy: 0.052
local terms energy: -157.408701
where:
bonds (distance) C4'-P energy: -32.804
bonds (distance) P-C4' energy: -36.197
flat angles C4'-P-C4' energy: -28.659
flat angles P-C4'-P energy: -17.471
tors. eta vs tors. theta energy: -42.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -385.784315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.784315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.784315 (E_RNA)
where:
Base-Base interactions energy: -238.553
where: short stacking energy: -113.413
Base-Backbone interact. energy: -0.742
local terms energy: -146.489141
where:
bonds (distance) C4'-P energy: -31.277
bonds (distance) P-C4' energy: -30.924
flat angles C4'-P-C4' energy: -34.030
flat angles P-C4'-P energy: -19.381
tors. eta vs tors. theta energy: -30.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -272.959959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.959959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.959959 (E_RNA)
where:
Base-Base interactions energy: -148.074
where: short stacking energy: -89.345
Base-Backbone interact. energy: -0.243
local terms energy: -124.643228
where:
bonds (distance) C4'-P energy: -26.884
bonds (distance) P-C4' energy: -31.528
flat angles C4'-P-C4' energy: -30.230
flat angles P-C4'-P energy: -18.553
tors. eta vs tors. theta energy: -17.449
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: 7
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -347.715897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.715897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.715897 (E_RNA)
where:
Base-Base interactions energy: -236.327
where: short stacking energy: -92.533
Base-Backbone interact. energy: -0.498
local terms energy: -110.890504
where:
bonds (distance) C4'-P energy: -29.662
bonds (distance) P-C4' energy: -21.652
flat angles C4'-P-C4' energy: -29.671
flat angles P-C4'-P energy: -19.591
tors. eta vs tors. theta energy: -10.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -255.789862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.789862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.789862 (E_RNA)
where:
Base-Base interactions energy: -139.211
where: short stacking energy: -70.756
Base-Backbone interact. energy: -2.781
local terms energy: -113.797950
where:
bonds (distance) C4'-P energy: -19.490
bonds (distance) P-C4' energy: -39.930
flat angles C4'-P-C4' energy: -25.277
flat angles P-C4'-P energy: -23.672
tors. eta vs tors. theta energy: -5.429
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: 83
Temperature: 0.900000
Total energy: -610.396981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.396981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.396981 (E_RNA)
where:
Base-Base interactions energy: -439.383
where: short stacking energy: -172.001
Base-Backbone interact. energy: -2.261
local terms energy: -168.753234
where:
bonds (distance) C4'-P energy: -32.768
bonds (distance) P-C4' energy: -28.732
flat angles C4'-P-C4' energy: -34.833
flat angles P-C4'-P energy: -29.493
tors. eta vs tors. theta energy: -42.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -547.628439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.628439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.628439 (E_RNA)
where:
Base-Base interactions energy: -374.281
where: short stacking energy: -168.185
Base-Backbone interact. energy: 0.491
local terms energy: -173.838545
where:
bonds (distance) C4'-P energy: -36.484
bonds (distance) P-C4' energy: -24.323
flat angles C4'-P-C4' energy: -39.383
flat angles P-C4'-P energy: -28.371
tors. eta vs tors. theta energy: -45.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -591.079298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.079298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.079298 (E_RNA)
where:
Base-Base interactions energy: -418.699
where: short stacking energy: -175.796
Base-Backbone interact. energy: 0.090
local terms energy: -172.469679
where:
bonds (distance) C4'-P energy: -33.948
bonds (distance) P-C4' energy: -27.125
flat angles C4'-P-C4' energy: -40.977
flat angles P-C4'-P energy: -25.433
tors. eta vs tors. theta energy: -44.987
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: 4, replica: 3
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -517.397857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.397857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.397857 (E_RNA)
where:
Base-Base interactions energy: -356.257
where: short stacking energy: -143.010
Base-Backbone interact. energy: -1.020
local terms energy: -160.121201
where:
bonds (distance) C4'-P energy: -32.598
bonds (distance) P-C4' energy: -29.211
flat angles C4'-P-C4' energy: -34.212
flat angles P-C4'-P energy: -27.388
tors. eta vs tors. theta energy: -36.712
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: 8
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -517.731983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.731983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.731983 (E_RNA)
where:
Base-Base interactions energy: -367.844
where: short stacking energy: -146.912
Base-Backbone interact. energy: -1.565
local terms energy: -148.323091
where:
bonds (distance) C4'-P energy: -34.891
bonds (distance) P-C4' energy: -25.997
flat angles C4'-P-C4' energy: -28.926
flat angles P-C4'-P energy: -23.177
tors. eta vs tors. theta energy: -35.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -496.897272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.897272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.897272 (E_RNA)
where:
Base-Base interactions energy: -352.097
where: short stacking energy: -152.597
Base-Backbone interact. energy: -1.020
local terms energy: -143.780630
where:
bonds (distance) C4'-P energy: -25.698
bonds (distance) P-C4' energy: -29.782
flat angles C4'-P-C4' energy: -29.798
flat angles P-C4'-P energy: -23.654
tors. eta vs tors. theta energy: -34.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -357.446976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.446976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.446976 (E_RNA)
where:
Base-Base interactions energy: -237.217
where: short stacking energy: -108.558
Base-Backbone interact. energy: -0.394
local terms energy: -119.835876
where:
bonds (distance) C4'-P energy: -23.324
bonds (distance) P-C4' energy: -29.121
flat angles C4'-P-C4' energy: -30.277
flat angles P-C4'-P energy: -22.294
tors. eta vs tors. theta energy: -14.820
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: 7
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -338.067164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.067164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.067164 (E_RNA)
where:
Base-Base interactions energy: -207.112
where: short stacking energy: -115.410
Base-Backbone interact. energy: 0.031
local terms energy: -130.986608
where:
bonds (distance) C4'-P energy: -21.216
bonds (distance) P-C4' energy: -36.032
flat angles C4'-P-C4' energy: -35.187
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -27.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -232.700826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.700826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.700826 (E_RNA)
where:
Base-Base interactions energy: -125.805
where: short stacking energy: -88.742
Base-Backbone interact. energy: -0.212
local terms energy: -106.684423
where:
bonds (distance) C4'-P energy: -18.325
bonds (distance) P-C4' energy: -33.581
flat angles C4'-P-C4' energy: -26.114
flat angles P-C4'-P energy: -16.932
tors. eta vs tors. theta energy: -11.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -288.513565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.513565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.513565 (E_RNA)
where:
Base-Base interactions energy: -191.681
where: short stacking energy: -82.334
Base-Backbone interact. energy: 5.841
local terms energy: -102.673681
where:
bonds (distance) C4'-P energy: -29.401
bonds (distance) P-C4' energy: -22.342
flat angles C4'-P-C4' energy: -33.692
flat angles P-C4'-P energy: -15.065
tors. eta vs tors. theta energy: -2.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -605.636376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.636376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.636376 (E_RNA)
where:
Base-Base interactions energy: -414.972
where: short stacking energy: -175.726
Base-Backbone interact. energy: -2.123
local terms energy: -188.541186
where:
bonds (distance) C4'-P energy: -35.909
bonds (distance) P-C4' energy: -36.434
flat angles C4'-P-C4' energy: -40.101
flat angles P-C4'-P energy: -31.131
tors. eta vs tors. theta energy: -44.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -558.701145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.701145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.701145 (E_RNA)
where:
Base-Base interactions energy: -377.430
where: short stacking energy: -168.234
Base-Backbone interact. energy: -0.669
local terms energy: -180.601617
where:
bonds (distance) C4'-P energy: -28.447
bonds (distance) P-C4' energy: -34.262
flat angles C4'-P-C4' energy: -38.825
flat angles P-C4'-P energy: -28.571
tors. eta vs tors. theta energy: -50.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -575.449079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.449079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.449079 (E_RNA)
where:
Base-Base interactions energy: -414.601
where: short stacking energy: -165.625
Base-Backbone interact. energy: -1.444
local terms energy: -159.404622
where:
bonds (distance) C4'-P energy: -27.101
bonds (distance) P-C4' energy: -21.448
flat angles C4'-P-C4' energy: -37.283
flat angles P-C4'-P energy: -25.839
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: 4, replica: 3
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -510.658946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.658946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.658946 (E_RNA)
where:
Base-Base interactions energy: -346.233
where: short stacking energy: -147.035
Base-Backbone interact. energy: 0.304
local terms energy: -164.729652
where:
bonds (distance) C4'-P energy: -33.238
bonds (distance) P-C4' energy: -36.604
flat angles C4'-P-C4' energy: -36.395
flat angles P-C4'-P energy: -27.989
tors. eta vs tors. theta energy: -30.504
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: 8
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -505.402772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.402772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.402772 (E_RNA)
where:
Base-Base interactions energy: -354.144
where: short stacking energy: -140.833
Base-Backbone interact. energy: 0.513
local terms energy: -151.771895
where:
bonds (distance) C4'-P energy: -26.213
bonds (distance) P-C4' energy: -38.253
flat angles C4'-P-C4' energy: -36.081
flat angles P-C4'-P energy: -14.512
tors. eta vs tors. theta energy: -36.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -473.005571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.005571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.005571 (E_RNA)
where:
Base-Base interactions energy: -325.579
where: short stacking energy: -138.230
Base-Backbone interact. energy: -0.593
local terms energy: -146.833560
where:
bonds (distance) C4'-P energy: -26.121
bonds (distance) P-C4' energy: -31.066
flat angles C4'-P-C4' energy: -32.255
flat angles P-C4'-P energy: -26.602
tors. eta vs tors. theta energy: -30.789
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: 6
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -344.539786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.539786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.539786 (E_RNA)
where:
Base-Base interactions energy: -218.200
where: short stacking energy: -100.868
Base-Backbone interact. energy: 0.372
local terms energy: -126.711067
where:
bonds (distance) C4'-P energy: -23.109
bonds (distance) P-C4' energy: -40.338
flat angles C4'-P-C4' energy: -27.986
flat angles P-C4'-P energy: -18.365
tors. eta vs tors. theta energy: -16.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -313.306206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.306206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.306206 (E_RNA)
where:
Base-Base interactions energy: -205.508
where: short stacking energy: -95.921
Base-Backbone interact. energy: -0.720
local terms energy: -107.078103
where:
bonds (distance) C4'-P energy: -25.132
bonds (distance) P-C4' energy: -23.924
flat angles C4'-P-C4' energy: -29.072
flat angles P-C4'-P energy: -18.280
tors. eta vs tors. theta energy: -10.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -243.666780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.666780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.666780 (E_RNA)
where:
Base-Base interactions energy: -137.339
where: short stacking energy: -90.694
Base-Backbone interact. energy: 0.054
local terms energy: -106.381551
where:
bonds (distance) C4'-P energy: -25.528
bonds (distance) P-C4' energy: -27.559
flat angles C4'-P-C4' energy: -20.345
flat angles P-C4'-P energy: -15.264
tors. eta vs tors. theta energy: -17.686
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: 10, replica: 5
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -233.693307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.693307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.693307 (E_RNA)
where:
Base-Base interactions energy: -136.265
where: short stacking energy: -74.690
Base-Backbone interact. energy: -2.510
local terms energy: -94.918040
where:
bonds (distance) C4'-P energy: -19.482
bonds (distance) P-C4' energy: -26.899
flat angles C4'-P-C4' energy: -18.203
flat angles P-C4'-P energy: -22.740
tors. eta vs tors. theta energy: -7.594
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: 2
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -608.371852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.371852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.371852 (E_RNA)
where:
Base-Base interactions energy: -431.089
where: short stacking energy: -185.580
Base-Backbone interact. energy: 0.378
local terms energy: -177.660956
where:
bonds (distance) C4'-P energy: -31.011
bonds (distance) P-C4' energy: -35.309
flat angles C4'-P-C4' energy: -37.614
flat angles P-C4'-P energy: -25.062
tors. eta vs tors. theta energy: -48.663
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: 1
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -591.620350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.620350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.620350 (E_RNA)
where:
Base-Base interactions energy: -427.533
where: short stacking energy: -177.969
Base-Backbone interact. energy: -1.732
local terms energy: -162.355279
where:
bonds (distance) C4'-P energy: -33.235
bonds (distance) P-C4' energy: -26.485
flat angles C4'-P-C4' energy: -35.797
flat angles P-C4'-P energy: -22.962
tors. eta vs tors. theta energy: -43.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -561.130556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.130556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.130556 (E_RNA)
where:
Base-Base interactions energy: -380.943
where: short stacking energy: -180.175
Base-Backbone interact. energy: -0.044
local terms energy: -180.143702
where:
bonds (distance) C4'-P energy: -34.292
bonds (distance) P-C4' energy: -31.329
flat angles C4'-P-C4' energy: -40.204
flat angles P-C4'-P energy: -26.267
tors. eta vs tors. theta energy: -48.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -514.915072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.915072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.915072 (E_RNA)
where:
Base-Base interactions energy: -350.128
where: short stacking energy: -149.197
Base-Backbone interact. energy: 0.739
local terms energy: -165.525652
where:
bonds (distance) C4'-P energy: -27.204
bonds (distance) P-C4' energy: -28.699
flat angles C4'-P-C4' energy: -37.160
flat angles P-C4'-P energy: -24.754
tors. eta vs tors. theta energy: -47.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -484.597018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.597018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.597018 (E_RNA)
where:
Base-Base interactions energy: -336.198
where: short stacking energy: -134.682
Base-Backbone interact. energy: -1.840
local terms energy: -146.559877
where:
bonds (distance) C4'-P energy: -31.851
bonds (distance) P-C4' energy: -27.316
flat angles C4'-P-C4' energy: -36.415
flat angles P-C4'-P energy: -18.013
tors. eta vs tors. theta energy: -32.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -470.562693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.562693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.562693 (E_RNA)
where:
Base-Base interactions energy: -312.453
where: short stacking energy: -120.618
Base-Backbone interact. energy: -0.626
local terms energy: -157.483271
where:
bonds (distance) C4'-P energy: -29.639
bonds (distance) P-C4' energy: -37.510
flat angles C4'-P-C4' energy: -35.011
flat angles P-C4'-P energy: -23.634
tors. eta vs tors. theta energy: -31.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -381.653238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.653238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.653238 (E_RNA)
where:
Base-Base interactions energy: -248.870
where: short stacking energy: -115.820
Base-Backbone interact. energy: -0.497
local terms energy: -132.285553
where:
bonds (distance) C4'-P energy: -34.747
bonds (distance) P-C4' energy: -30.716
flat angles C4'-P-C4' energy: -25.949
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -28.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -323.444795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.444795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.444795 (E_RNA)
where:
Base-Base interactions energy: -203.878
where: short stacking energy: -86.264
Base-Backbone interact. energy: -0.572
local terms energy: -118.995451
where:
bonds (distance) C4'-P energy: -27.925
bonds (distance) P-C4' energy: -35.476
flat angles C4'-P-C4' energy: -28.871
flat angles P-C4'-P energy: -14.502
tors. eta vs tors. theta energy: -12.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -271.010842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.010842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.010842 (E_RNA)
where:
Base-Base interactions energy: -145.906
where: short stacking energy: -87.291
Base-Backbone interact. energy: -0.978
local terms energy: -124.126467
where:
bonds (distance) C4'-P energy: -33.352
bonds (distance) P-C4' energy: -29.498
flat angles C4'-P-C4' energy: -29.612
flat angles P-C4'-P energy: -15.873
tors. eta vs tors. theta energy: -15.792
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: 5
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -232.252336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.252336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.252336 (E_RNA)
where:
Base-Base interactions energy: -127.097
where: short stacking energy: -68.900
Base-Backbone interact. energy: -0.818
local terms energy: -104.338196
where:
bonds (distance) C4'-P energy: -27.803
bonds (distance) P-C4' energy: -36.122
flat angles C4'-P-C4' energy: -27.541
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -2.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -608.381200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.381200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.381200 (E_RNA)
where:
Base-Base interactions energy: -416.379
where: short stacking energy: -187.749
Base-Backbone interact. energy: -1.402
local terms energy: -190.600198
where:
bonds (distance) C4'-P energy: -41.752
bonds (distance) P-C4' energy: -32.729
flat angles C4'-P-C4' energy: -40.570
flat angles P-C4'-P energy: -27.118
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: 2, replica: 2
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -613.408997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.408997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.408997 (E_RNA)
where:
Base-Base interactions energy: -432.590
where: short stacking energy: -179.462
Base-Backbone interact. energy: -0.765
local terms energy: -180.054035
where:
bonds (distance) C4'-P energy: -28.933
bonds (distance) P-C4' energy: -35.499
flat angles C4'-P-C4' energy: -42.451
flat angles P-C4'-P energy: -24.925
tors. eta vs tors. theta energy: -48.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -563.077535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.077535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.077535 (E_RNA)
where:
Base-Base interactions energy: -380.940
where: short stacking energy: -177.812
Base-Backbone interact. energy: -0.386
local terms energy: -181.750850
where:
bonds (distance) C4'-P energy: -37.901
bonds (distance) P-C4' energy: -25.678
flat angles C4'-P-C4' energy: -38.647
flat angles P-C4'-P energy: -29.014
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: 8
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -497.154043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.154043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.154043 (E_RNA)
where:
Base-Base interactions energy: -357.900
where: short stacking energy: -137.744
Base-Backbone interact. energy: -0.653
local terms energy: -138.600918
where:
bonds (distance) C4'-P energy: -28.317
bonds (distance) P-C4' energy: -31.719
flat angles C4'-P-C4' energy: -32.911
flat angles P-C4'-P energy: -17.644
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: 5, replica: 4
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -518.410027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.410027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.410027 (E_RNA)
where:
Base-Base interactions energy: -366.621
where: short stacking energy: -153.531
Base-Backbone interact. energy: -0.228
local terms energy: -151.561459
where:
bonds (distance) C4'-P energy: -26.111
bonds (distance) P-C4' energy: -30.031
flat angles C4'-P-C4' energy: -36.107
flat angles P-C4'-P energy: -23.136
tors. eta vs tors. theta energy: -36.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -483.985476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.985476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.985476 (E_RNA)
where:
Base-Base interactions energy: -326.132
where: short stacking energy: -126.621
Base-Backbone interact. energy: -0.692
local terms energy: -157.161465
where:
bonds (distance) C4'-P energy: -30.859
bonds (distance) P-C4' energy: -32.985
flat angles C4'-P-C4' energy: -33.925
flat angles P-C4'-P energy: -25.084
tors. eta vs tors. theta energy: -34.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -371.552630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.552630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.552630 (E_RNA)
where:
Base-Base interactions energy: -237.605
where: short stacking energy: -98.448
Base-Backbone interact. energy: -3.042
local terms energy: -130.905769
where:
bonds (distance) C4'-P energy: -32.699
bonds (distance) P-C4' energy: -34.234
flat angles C4'-P-C4' energy: -32.902
flat angles P-C4'-P energy: -17.102
tors. eta vs tors. theta energy: -13.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -292.649348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.649348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.649348 (E_RNA)
where:
Base-Base interactions energy: -181.521
where: short stacking energy: -81.184
Base-Backbone interact. energy: 0.494
local terms energy: -111.622357
where:
bonds (distance) C4'-P energy: -32.268
bonds (distance) P-C4' energy: -36.786
flat angles C4'-P-C4' energy: -28.509
flat angles P-C4'-P energy: -16.849
tors. eta vs tors. theta energy: 2.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -246.739485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.739485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.739485 (E_RNA)
where:
Base-Base interactions energy: -129.138
where: short stacking energy: -60.391
Base-Backbone interact. energy: -0.808
local terms energy: -116.793513
where:
bonds (distance) C4'-P energy: -27.035
bonds (distance) P-C4' energy: -34.827
flat angles C4'-P-C4' energy: -30.857
flat angles P-C4'-P energy: -17.979
tors. eta vs tors. theta energy: -6.096
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: 10
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -232.272010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.272010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.272010 (E_RNA)
where:
Base-Base interactions energy: -107.697
where: short stacking energy: -54.573
Base-Backbone interact. energy: 1.999
local terms energy: -126.574208
where:
bonds (distance) C4'-P energy: -29.592
bonds (distance) P-C4' energy: -40.081
flat angles C4'-P-C4' energy: -32.400
flat angles P-C4'-P energy: -21.420
tors. eta vs tors. theta energy: -3.081
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: 1, replica: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -603.831114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.831114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.831114 (E_RNA)
where:
Base-Base interactions energy: -423.130
where: short stacking energy: -180.277
Base-Backbone interact. energy: -1.955
local terms energy: -178.746838
where:
bonds (distance) C4'-P energy: -37.105
bonds (distance) P-C4' energy: -32.962
flat angles C4'-P-C4' energy: -35.247
flat angles P-C4'-P energy: -25.804
tors. eta vs tors. theta energy: -47.629
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: 87
Temperature: 0.950000
Total energy: -598.395725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.395725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.395725 (E_RNA)
where:
Base-Base interactions energy: -421.351
where: short stacking energy: -185.164
Base-Backbone interact. energy: -3.066
local terms energy: -173.978893
where:
bonds (distance) C4'-P energy: -26.784
bonds (distance) P-C4' energy: -33.063
flat angles C4'-P-C4' energy: -39.854
flat angles P-C4'-P energy: -26.585
tors. eta vs tors. theta energy: -47.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -558.813230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.813230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.813230 (E_RNA)
where:
Base-Base interactions energy: -369.122
where: short stacking energy: -172.457
Base-Backbone interact. energy: 0.914
local terms energy: -190.605388
where:
bonds (distance) C4'-P energy: -40.819
bonds (distance) P-C4' energy: -36.452
flat angles C4'-P-C4' energy: -35.763
flat angles P-C4'-P energy: -28.052
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: 4, replica: 8
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -513.782666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.782666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.782666 (E_RNA)
where:
Base-Base interactions energy: -352.793
where: short stacking energy: -167.011
Base-Backbone interact. energy: -0.217
local terms energy: -160.773210
where:
bonds (distance) C4'-P energy: -36.795
bonds (distance) P-C4' energy: -27.323
flat angles C4'-P-C4' energy: -32.766
flat angles P-C4'-P energy: -23.527
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: 5, replica: 4
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -479.936092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.936092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.936092 (E_RNA)
where:
Base-Base interactions energy: -340.888
where: short stacking energy: -128.764
Base-Backbone interact. energy: -1.065
local terms energy: -137.983344
where:
bonds (distance) C4'-P energy: -29.244
bonds (distance) P-C4' energy: -26.255
flat angles C4'-P-C4' energy: -27.352
flat angles P-C4'-P energy: -20.882
tors. eta vs tors. theta energy: -34.251
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: 6, replica: 3
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -426.940787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.940787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.940787 (E_RNA)
where:
Base-Base interactions energy: -283.234
where: short stacking energy: -122.872
Base-Backbone interact. energy: -0.524
local terms energy: -143.183246
where:
bonds (distance) C4'-P energy: -38.004
bonds (distance) P-C4' energy: -29.669
flat angles C4'-P-C4' energy: -25.133
flat angles P-C4'-P energy: -23.459
tors. eta vs tors. theta energy: -26.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -390.211327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.211327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.211327 (E_RNA)
where:
Base-Base interactions energy: -248.209
where: short stacking energy: -122.918
Base-Backbone interact. energy: -0.980
local terms energy: -141.021756
where:
bonds (distance) C4'-P energy: -33.388
bonds (distance) P-C4' energy: -20.249
flat angles C4'-P-C4' energy: -36.416
flat angles P-C4'-P energy: -17.687
tors. eta vs tors. theta energy: -33.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -311.887661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.887661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.887661 (E_RNA)
where:
Base-Base interactions energy: -184.581
where: short stacking energy: -107.034
Base-Backbone interact. energy: 1.479
local terms energy: -128.785461
where:
bonds (distance) C4'-P energy: -34.683
bonds (distance) P-C4' energy: -25.455
flat angles C4'-P-C4' energy: -27.539
flat angles P-C4'-P energy: -21.656
tors. eta vs tors. theta energy: -19.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -241.240942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.240942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.240942 (E_RNA)
where:
Base-Base interactions energy: -126.131
where: short stacking energy: -66.708
Base-Backbone interact. energy: 0.797
local terms energy: -115.907010
where:
bonds (distance) C4'-P energy: -32.650
bonds (distance) P-C4' energy: -36.521
flat angles C4'-P-C4' energy: -21.431
flat angles P-C4'-P energy: -21.303
tors. eta vs tors. theta energy: -4.002
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: 10, replica: 10
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -220.718324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.718324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.718324 (E_RNA)
where:
Base-Base interactions energy: -108.900
where: short stacking energy: -61.840
Base-Backbone interact. energy: 3.661
local terms energy: -115.478849
where:
bonds (distance) C4'-P energy: -31.380
bonds (distance) P-C4' energy: -32.553
flat angles C4'-P-C4' energy: -30.383
flat angles P-C4'-P energy: -13.498
tors. eta vs tors. theta energy: -7.664
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: 2
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -608.251464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.251464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.251464 (E_RNA)
where:
Base-Base interactions energy: -421.959
where: short stacking energy: -183.642
Base-Backbone interact. energy: -0.731
local terms energy: -185.561509
where:
bonds (distance) C4'-P energy: -32.763
bonds (distance) P-C4' energy: -34.022
flat angles C4'-P-C4' energy: -40.856
flat angles P-C4'-P energy: -27.094
tors. eta vs tors. theta energy: -50.828
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: 1
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -597.174673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.174673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.174673 (E_RNA)
where:
Base-Base interactions energy: -419.843
where: short stacking energy: -172.879
Base-Backbone interact. energy: -1.160
local terms energy: -176.172478
where:
bonds (distance) C4'-P energy: -30.080
bonds (distance) P-C4' energy: -38.461
flat angles C4'-P-C4' energy: -39.649
flat angles P-C4'-P energy: -27.148
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: 3, replica: 8
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -530.262242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.262242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.262242 (E_RNA)
where:
Base-Base interactions energy: -359.753
where: short stacking energy: -155.224
Base-Backbone interact. energy: -0.413
local terms energy: -170.095656
where:
bonds (distance) C4'-P energy: -32.092
bonds (distance) P-C4' energy: -35.872
flat angles C4'-P-C4' energy: -34.147
flat angles P-C4'-P energy: -26.335
tors. eta vs tors. theta energy: -41.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -536.307098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.307098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.307098 (E_RNA)
where:
Base-Base interactions energy: -364.727
where: short stacking energy: -170.420
Base-Backbone interact. energy: -0.755
local terms energy: -170.825065
where:
bonds (distance) C4'-P energy: -30.368
bonds (distance) P-C4' energy: -32.137
flat angles C4'-P-C4' energy: -35.682
flat angles P-C4'-P energy: -25.030
tors. eta vs tors. theta energy: -47.609
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: 3
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -457.751585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.751585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.751585 (E_RNA)
where:
Base-Base interactions energy: -300.090
where: short stacking energy: -137.300
Base-Backbone interact. energy: -1.166
local terms energy: -156.496215
where:
bonds (distance) C4'-P energy: -35.874
bonds (distance) P-C4' energy: -31.218
flat angles C4'-P-C4' energy: -34.546
flat angles P-C4'-P energy: -26.753
tors. eta vs tors. theta energy: -28.105
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: 4
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -469.582874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.582874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.582874 (E_RNA)
where:
Base-Base interactions energy: -320.246
where: short stacking energy: -136.489
Base-Backbone interact. energy: -0.017
local terms energy: -149.319945
where:
bonds (distance) C4'-P energy: -26.039
bonds (distance) P-C4' energy: -34.818
flat angles C4'-P-C4' energy: -28.958
flat angles P-C4'-P energy: -23.232
tors. eta vs tors. theta energy: -36.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -395.537823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.537823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.537823 (E_RNA)
where:
Base-Base interactions energy: -252.000
where: short stacking energy: -114.493
Base-Backbone interact. energy: -0.396
local terms energy: -143.141510
where:
bonds (distance) C4'-P energy: -26.854
bonds (distance) P-C4' energy: -27.427
flat angles C4'-P-C4' energy: -33.709
flat angles P-C4'-P energy: -27.390
tors. eta vs tors. theta energy: -27.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -303.542435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.542435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.542435 (E_RNA)
where:
Base-Base interactions energy: -178.477
where: short stacking energy: -76.640
Base-Backbone interact. energy: -0.563
local terms energy: -124.501777
where:
bonds (distance) C4'-P energy: -31.649
bonds (distance) P-C4' energy: -28.258
flat angles C4'-P-C4' energy: -35.316
flat angles P-C4'-P energy: -21.172
tors. eta vs tors. theta energy: -8.107
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: 10
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -225.969976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.969976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.969976 (E_RNA)
where:
Base-Base interactions energy: -120.290
where: short stacking energy: -84.412
Base-Backbone interact. energy: -0.616
local terms energy: -105.064353
where:
bonds (distance) C4'-P energy: -27.744
bonds (distance) P-C4' energy: -30.177
flat angles C4'-P-C4' energy: -26.988
flat angles P-C4'-P energy: -17.090
tors. eta vs tors. theta energy: -3.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -225.973267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.973267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.973267 (E_RNA)
where:
Base-Base interactions energy: -138.049
where: short stacking energy: -66.434
Base-Backbone interact. energy: -0.845
local terms energy: -87.078616
where:
bonds (distance) C4'-P energy: -19.297
bonds (distance) P-C4' energy: -24.020
flat angles C4'-P-C4' energy: -29.422
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -3.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -599.529195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.529195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.529195 (E_RNA)
where:
Base-Base interactions energy: -414.536
where: short stacking energy: -164.533
Base-Backbone interact. energy: -1.175
local terms energy: -183.817753
where:
bonds (distance) C4'-P energy: -38.548
bonds (distance) P-C4' energy: -35.476
flat angles C4'-P-C4' energy: -40.450
flat angles P-C4'-P energy: -21.316
tors. eta vs tors. theta energy: -48.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -592.349015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.349015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.349015 (E_RNA)
where:
Base-Base interactions energy: -412.630
where: short stacking energy: -175.940
Base-Backbone interact. energy: 1.114
local terms energy: -180.833714
where:
bonds (distance) C4'-P energy: -30.053
bonds (distance) P-C4' energy: -36.731
flat angles C4'-P-C4' energy: -38.823
flat angles P-C4'-P energy: -29.105
tors. eta vs tors. theta energy: -46.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -512.421415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.421415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.421415 (E_RNA)
where:
Base-Base interactions energy: -359.005
where: short stacking energy: -154.388
Base-Backbone interact. energy: -0.983
local terms energy: -152.433303
where:
bonds (distance) C4'-P energy: -33.864
bonds (distance) P-C4' energy: -26.878
flat angles C4'-P-C4' energy: -24.672
flat angles P-C4'-P energy: -23.178
tors. eta vs tors. theta energy: -43.841
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: 9
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -539.681005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.681005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.681005 (E_RNA)
where:
Base-Base interactions energy: -368.752
where: short stacking energy: -163.467
Base-Backbone interact. energy: -0.474
local terms energy: -170.454729
where:
bonds (distance) C4'-P energy: -31.524
bonds (distance) P-C4' energy: -30.911
flat angles C4'-P-C4' energy: -38.390
flat angles P-C4'-P energy: -24.592
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: 5, replica: 3
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -477.510987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.510987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.510987 (E_RNA)
where:
Base-Base interactions energy: -325.806
where: short stacking energy: -141.855
Base-Backbone interact. energy: -0.730
local terms energy: -150.974800
where:
bonds (distance) C4'-P energy: -25.468
bonds (distance) P-C4' energy: -34.602
flat angles C4'-P-C4' energy: -37.011
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -40.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -412.557095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.557095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.557095 (E_RNA)
where:
Base-Base interactions energy: -282.006
where: short stacking energy: -131.127
Base-Backbone interact. energy: -1.116
local terms energy: -129.435107
where:
bonds (distance) C4'-P energy: -29.606
bonds (distance) P-C4' energy: -24.867
flat angles C4'-P-C4' energy: -23.675
flat angles P-C4'-P energy: -13.538
tors. eta vs tors. theta energy: -37.748
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: 89
Temperature: 1.200000
Total energy: -434.574247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.574247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.574247 (E_RNA)
where:
Base-Base interactions energy: -296.109
where: short stacking energy: -130.856
Base-Backbone interact. energy: -0.497
local terms energy: -137.967440
where:
bonds (distance) C4'-P energy: -28.267
bonds (distance) P-C4' energy: -24.560
flat angles C4'-P-C4' energy: -25.688
flat angles P-C4'-P energy: -27.490
tors. eta vs tors. theta energy: -31.962
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: 7
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -308.766853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.766853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.766853 (E_RNA)
where:
Base-Base interactions energy: -192.818
where: short stacking energy: -90.801
Base-Backbone interact. energy: 0.506
local terms energy: -116.454522
where:
bonds (distance) C4'-P energy: -26.844
bonds (distance) P-C4' energy: -37.151
flat angles C4'-P-C4' energy: -19.012
flat angles P-C4'-P energy: -21.957
tors. eta vs tors. theta energy: -11.489
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: 10
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -235.600202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.600202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.600202 (E_RNA)
where:
Base-Base interactions energy: -99.662
where: short stacking energy: -64.029
Base-Backbone interact. energy: -0.145
local terms energy: -135.793961
where:
bonds (distance) C4'-P energy: -38.537
bonds (distance) P-C4' energy: -33.302
flat angles C4'-P-C4' energy: -24.717
flat angles P-C4'-P energy: -26.264
tors. eta vs tors. theta energy: -12.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -234.907654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.907654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.907654 (E_RNA)
where:
Base-Base interactions energy: -134.412
where: short stacking energy: -70.698
Base-Backbone interact. energy: 1.577
local terms energy: -102.073328
where:
bonds (distance) C4'-P energy: -24.813
bonds (distance) P-C4' energy: -29.716
flat angles C4'-P-C4' energy: -32.061
flat angles P-C4'-P energy: -18.576
tors. eta vs tors. theta energy: 3.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -602.573938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.573938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.573938 (E_RNA)
where:
Base-Base interactions energy: -425.297
where: short stacking energy: -175.121
Base-Backbone interact. energy: -1.529
local terms energy: -175.747789
where:
bonds (distance) C4'-P energy: -31.485
bonds (distance) P-C4' energy: -31.910
flat angles C4'-P-C4' energy: -37.640
flat angles P-C4'-P energy: -29.342
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: 2, replica: 2
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -609.033872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.033872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.033872 (E_RNA)
where:
Base-Base interactions energy: -427.633
where: short stacking energy: -182.569
Base-Backbone interact. energy: -1.877
local terms energy: -179.524296
where:
bonds (distance) C4'-P energy: -31.558
bonds (distance) P-C4' energy: -33.710
flat angles C4'-P-C4' energy: -40.953
flat angles P-C4'-P energy: -28.484
tors. eta vs tors. theta energy: -44.820
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: 90
Temperature: 1.000000
Total energy: -569.815660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.815660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.815660 (E_RNA)
where:
Base-Base interactions energy: -386.771
where: short stacking energy: -181.455
Base-Backbone interact. energy: -0.163
local terms energy: -182.881870
where:
bonds (distance) C4'-P energy: -32.431
bonds (distance) P-C4' energy: -31.382
flat angles C4'-P-C4' energy: -41.079
flat angles P-C4'-P energy: -27.639
tors. eta vs tors. theta energy: -50.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -493.616533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.616533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.616533 (E_RNA)
where:
Base-Base interactions energy: -323.528
where: short stacking energy: -142.503
Base-Backbone interact. energy: -1.391
local terms energy: -168.697886
where:
bonds (distance) C4'-P energy: -35.204
bonds (distance) P-C4' energy: -32.762
flat angles C4'-P-C4' energy: -37.472
flat angles P-C4'-P energy: -24.611
tors. eta vs tors. theta energy: -38.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -483.984077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.984077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.984077 (E_RNA)
where:
Base-Base interactions energy: -326.139
where: short stacking energy: -134.723
Base-Backbone interact. energy: -0.074
local terms energy: -157.770668
where:
bonds (distance) C4'-P energy: -23.953
bonds (distance) P-C4' energy: -38.305
flat angles C4'-P-C4' energy: -34.754
flat angles P-C4'-P energy: -23.659
tors. eta vs tors. theta energy: -37.099
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: 6
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -392.061255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.061255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.061255 (E_RNA)
where:
Base-Base interactions energy: -255.356
where: short stacking energy: -107.775
Base-Backbone interact. energy: -1.949
local terms energy: -134.756160
where:
bonds (distance) C4'-P energy: -31.973
bonds (distance) P-C4' energy: -32.503
flat angles C4'-P-C4' energy: -29.075
flat angles P-C4'-P energy: -22.469
tors. eta vs tors. theta energy: -18.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -406.727660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.727660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.727660 (E_RNA)
where:
Base-Base interactions energy: -261.246
where: short stacking energy: -119.208
Base-Backbone interact. energy: -0.211
local terms energy: -145.270746
where:
bonds (distance) C4'-P energy: -27.993
bonds (distance) P-C4' energy: -40.094
flat angles C4'-P-C4' energy: -30.575
flat angles P-C4'-P energy: -21.643
tors. eta vs tors. theta energy: -24.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -301.342931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.342931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.342931 (E_RNA)
where:
Base-Base interactions energy: -175.781
where: short stacking energy: -90.356
Base-Backbone interact. energy: -0.700
local terms energy: -124.862311
where:
bonds (distance) C4'-P energy: -26.000
bonds (distance) P-C4' energy: -30.025
flat angles C4'-P-C4' energy: -34.439
flat angles P-C4'-P energy: -18.559
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: 9, replica: 5
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -271.724585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.724585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.724585 (E_RNA)
where:
Base-Base interactions energy: -159.521
where: short stacking energy: -81.313
Base-Backbone interact. energy: -0.597
local terms energy: -111.606835
where:
bonds (distance) C4'-P energy: -18.880
bonds (distance) P-C4' energy: -29.320
flat angles C4'-P-C4' energy: -32.345
flat angles P-C4'-P energy: -18.328
tors. eta vs tors. theta energy: -12.734
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: 10, replica: 10
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -255.756081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.756081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.756081 (E_RNA)
where:
Base-Base interactions energy: -143.760
where: short stacking energy: -71.347
Base-Backbone interact. energy: -0.298
local terms energy: -111.697321
where:
bonds (distance) C4'-P energy: -25.994
bonds (distance) P-C4' energy: -32.856
flat angles C4'-P-C4' energy: -25.316
flat angles P-C4'-P energy: -16.413
tors. eta vs tors. theta energy: -11.119
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: 1, replica: 1
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -616.493103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.493103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.493103 (E_RNA)
where:
Base-Base interactions energy: -445.516
where: short stacking energy: -169.400
Base-Backbone interact. energy: -0.370
local terms energy: -170.606625
where:
bonds (distance) C4'-P energy: -34.669
bonds (distance) P-C4' energy: -35.923
flat angles C4'-P-C4' energy: -36.619
flat angles P-C4'-P energy: -22.304
tors. eta vs tors. theta energy: -41.092
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: 91
Temperature: 0.950000
Total energy: -605.694622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.694622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.694622 (E_RNA)
where:
Base-Base interactions energy: -422.096
where: short stacking energy: -178.085
Base-Backbone interact. energy: -0.870
local terms energy: -182.728702
where:
bonds (distance) C4'-P energy: -33.223
bonds (distance) P-C4' energy: -35.948
flat angles C4'-P-C4' energy: -40.992
flat angles P-C4'-P energy: -26.107
tors. eta vs tors. theta energy: -46.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -555.403350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.403350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.403350 (E_RNA)
where:
Base-Base interactions energy: -391.837
where: short stacking energy: -178.838
Base-Backbone interact. energy: -0.021
local terms energy: -163.545192
where:
bonds (distance) C4'-P energy: -31.145
bonds (distance) P-C4' energy: -32.690
flat angles C4'-P-C4' energy: -34.672
flat angles P-C4'-P energy: -20.702
tors. eta vs tors. theta energy: -44.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -488.886909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.886909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.886909 (E_RNA)
where:
Base-Base interactions energy: -339.379
where: short stacking energy: -146.968
Base-Backbone interact. energy: 0.497
local terms energy: -150.004397
where:
bonds (distance) C4'-P energy: -37.781
bonds (distance) P-C4' energy: -19.723
flat angles C4'-P-C4' energy: -35.550
flat angles P-C4'-P energy: -19.283
tors. eta vs tors. theta energy: -37.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -503.370000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.370000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.370000 (E_RNA)
where:
Base-Base interactions energy: -347.710
where: short stacking energy: -159.770
Base-Backbone interact. energy: -1.374
local terms energy: -154.285940
where:
bonds (distance) C4'-P energy: -33.238
bonds (distance) P-C4' energy: -36.931
flat angles C4'-P-C4' energy: -29.813
flat angles P-C4'-P energy: -15.346
tors. eta vs tors. theta energy: -38.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -433.425811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.425811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.425811 (E_RNA)
where:
Base-Base interactions energy: -298.266
where: short stacking energy: -125.036
Base-Backbone interact. energy: 1.588
local terms energy: -136.747272
where:
bonds (distance) C4'-P energy: -29.999
bonds (distance) P-C4' energy: -29.597
flat angles C4'-P-C4' energy: -31.596
flat angles P-C4'-P energy: -17.217
tors. eta vs tors. theta energy: -28.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -409.122099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.122099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.122099 (E_RNA)
where:
Base-Base interactions energy: -273.942
where: short stacking energy: -115.932
Base-Backbone interact. energy: -0.929
local terms energy: -134.251740
where:
bonds (distance) C4'-P energy: -34.253
bonds (distance) P-C4' energy: -28.212
flat angles C4'-P-C4' energy: -24.788
flat angles P-C4'-P energy: -22.872
tors. eta vs tors. theta energy: -24.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -293.057608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.057608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.057608 (E_RNA)
where:
Base-Base interactions energy: -173.732
where: short stacking energy: -91.202
Base-Backbone interact. energy: -0.516
local terms energy: -118.810521
where:
bonds (distance) C4'-P energy: -26.403
bonds (distance) P-C4' energy: -28.758
flat angles C4'-P-C4' energy: -29.922
flat angles P-C4'-P energy: -23.509
tors. eta vs tors. theta energy: -10.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -302.910292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.910292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.910292 (E_RNA)
where:
Base-Base interactions energy: -193.075
where: short stacking energy: -97.059
Base-Backbone interact. energy: -0.341
local terms energy: -109.493844
where:
bonds (distance) C4'-P energy: -30.472
bonds (distance) P-C4' energy: -17.637
flat angles C4'-P-C4' energy: -30.066
flat angles P-C4'-P energy: -16.343
tors. eta vs tors. theta energy: -14.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -220.732565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.732565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.732565 (E_RNA)
where:
Base-Base interactions energy: -106.922
where: short stacking energy: -56.850
Base-Backbone interact. energy: -0.598
local terms energy: -113.212302
where:
bonds (distance) C4'-P energy: -31.191
bonds (distance) P-C4' energy: -37.117
flat angles C4'-P-C4' energy: -25.750
flat angles P-C4'-P energy: -19.002
tors. eta vs tors. theta energy: -0.153
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: 92
Temperature: 0.900000
Total energy: -600.996774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.996774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.996774 (E_RNA)
where:
Base-Base interactions energy: -413.922
where: short stacking energy: -173.329
Base-Backbone interact. energy: -1.426
local terms energy: -185.648657
where:
bonds (distance) C4'-P energy: -35.702
bonds (distance) P-C4' energy: -32.989
flat angles C4'-P-C4' energy: -41.362
flat angles P-C4'-P energy: -28.369
tors. eta vs tors. theta energy: -47.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -590.106203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.106203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.106203 (E_RNA)
where:
Base-Base interactions energy: -420.288
where: short stacking energy: -164.937
Base-Backbone interact. energy: -2.117
local terms energy: -167.701109
where:
bonds (distance) C4'-P energy: -34.519
bonds (distance) P-C4' energy: -36.357
flat angles C4'-P-C4' energy: -30.989
flat angles P-C4'-P energy: -28.730
tors. eta vs tors. theta energy: -37.106
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: 3, replica: 9
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -553.503567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.503567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.503567 (E_RNA)
where:
Base-Base interactions energy: -377.504
where: short stacking energy: -175.146
Base-Backbone interact. energy: -0.078
local terms energy: -175.921479
where:
bonds (distance) C4'-P energy: -36.985
bonds (distance) P-C4' energy: -25.561
flat angles C4'-P-C4' energy: -39.064
flat angles P-C4'-P energy: -28.418
tors. eta vs tors. theta energy: -45.893
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: 8
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -504.732448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.732448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.732448 (E_RNA)
where:
Base-Base interactions energy: -337.475
where: short stacking energy: -136.880
Base-Backbone interact. energy: -1.643
local terms energy: -165.614121
where:
bonds (distance) C4'-P energy: -34.897
bonds (distance) P-C4' energy: -31.178
flat angles C4'-P-C4' energy: -35.928
flat angles P-C4'-P energy: -25.123
tors. eta vs tors. theta energy: -38.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -466.108911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.108911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.108911 (E_RNA)
where:
Base-Base interactions energy: -329.586
where: short stacking energy: -145.124
Base-Backbone interact. energy: -0.894
local terms energy: -135.629410
where:
bonds (distance) C4'-P energy: -22.314
bonds (distance) P-C4' energy: -24.446
flat angles C4'-P-C4' energy: -33.319
flat angles P-C4'-P energy: -21.028
tors. eta vs tors. theta energy: -34.523
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: 6, replica: 3
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -468.871592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.871592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.871592 (E_RNA)
where:
Base-Base interactions energy: -317.251
where: short stacking energy: -125.066
Base-Backbone interact. energy: -2.187
local terms energy: -149.434221
where:
bonds (distance) C4'-P energy: -29.853
bonds (distance) P-C4' energy: -30.700
flat angles C4'-P-C4' energy: -31.115
flat angles P-C4'-P energy: -25.639
tors. eta vs tors. theta energy: -32.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -409.049742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.049742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.049742 (E_RNA)
where:
Base-Base interactions energy: -283.332
where: short stacking energy: -130.184
Base-Backbone interact. energy: 1.225
local terms energy: -126.943133
where:
bonds (distance) C4'-P energy: -24.026
bonds (distance) P-C4' energy: -30.202
flat angles C4'-P-C4' energy: -30.220
flat angles P-C4'-P energy: -15.950
tors. eta vs tors. theta energy: -26.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -307.001762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.001762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.001762 (E_RNA)
where:
Base-Base interactions energy: -189.551
where: short stacking energy: -99.109
Base-Backbone interact. energy: 0.021
local terms energy: -117.471923
where:
bonds (distance) C4'-P energy: -21.731
bonds (distance) P-C4' energy: -29.303
flat angles C4'-P-C4' energy: -33.700
flat angles P-C4'-P energy: -21.363
tors. eta vs tors. theta energy: -11.375
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: 5
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -291.501167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.501167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.501167 (E_RNA)
where:
Base-Base interactions energy: -176.686
where: short stacking energy: -85.771
Base-Backbone interact. energy: -0.234
local terms energy: -114.580999
where:
bonds (distance) C4'-P energy: -25.276
bonds (distance) P-C4' energy: -34.278
flat angles C4'-P-C4' energy: -32.349
flat angles P-C4'-P energy: -18.916
tors. eta vs tors. theta energy: -3.761
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: 10
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -248.790059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.790059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.790059 (E_RNA)
where:
Base-Base interactions energy: -146.333
where: short stacking energy: -77.524
Base-Backbone interact. energy: -0.207
local terms energy: -102.250282
where:
bonds (distance) C4'-P energy: -21.536
bonds (distance) P-C4' energy: -30.735
flat angles C4'-P-C4' energy: -24.100
flat angles P-C4'-P energy: -15.243
tors. eta vs tors. theta energy: -10.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -619.463401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.463401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.463401 (E_RNA)
where:
Base-Base interactions energy: -435.631
where: short stacking energy: -173.549
Base-Backbone interact. energy: -1.891
local terms energy: -181.941064
where:
bonds (distance) C4'-P energy: -32.825
bonds (distance) P-C4' energy: -32.946
flat angles C4'-P-C4' energy: -42.984
flat angles P-C4'-P energy: -22.662
tors. eta vs tors. theta energy: -50.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -576.217648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.217648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.217648 (E_RNA)
where:
Base-Base interactions energy: -396.391
where: short stacking energy: -180.949
Base-Backbone interact. energy: -0.243
local terms energy: -179.583354
where:
bonds (distance) C4'-P energy: -30.987
bonds (distance) P-C4' energy: -35.408
flat angles C4'-P-C4' energy: -37.539
flat angles P-C4'-P energy: -25.888
tors. eta vs tors. theta energy: -49.761
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: 1
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -578.463135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.463135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.463135 (E_RNA)
where:
Base-Base interactions energy: -419.388
where: short stacking energy: -171.979
Base-Backbone interact. energy: -0.920
local terms energy: -158.154409
where:
bonds (distance) C4'-P energy: -28.072
bonds (distance) P-C4' energy: -32.004
flat angles C4'-P-C4' energy: -36.348
flat angles P-C4'-P energy: -21.619
tors. eta vs tors. theta energy: -40.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -468.509568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.509568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.509568 (E_RNA)
where:
Base-Base interactions energy: -316.817
where: short stacking energy: -133.135
Base-Backbone interact. energy: -0.633
local terms energy: -151.060105
where:
bonds (distance) C4'-P energy: -29.289
bonds (distance) P-C4' energy: -35.341
flat angles C4'-P-C4' energy: -36.552
flat angles P-C4'-P energy: -22.227
tors. eta vs tors. theta energy: -27.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -492.299106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.299106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.299106 (E_RNA)
where:
Base-Base interactions energy: -327.501
where: short stacking energy: -149.887
Base-Backbone interact. energy: 1.619
local terms energy: -166.416643
where:
bonds (distance) C4'-P energy: -30.780
bonds (distance) P-C4' energy: -27.751
flat angles C4'-P-C4' energy: -35.437
flat angles P-C4'-P energy: -25.955
tors. eta vs tors. theta energy: -46.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -477.448770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.448770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.448770 (E_RNA)
where:
Base-Base interactions energy: -317.882
where: short stacking energy: -141.399
Base-Backbone interact. energy: -0.845
local terms energy: -158.722166
where:
bonds (distance) C4'-P energy: -23.290
bonds (distance) P-C4' energy: -38.000
flat angles C4'-P-C4' energy: -37.421
flat angles P-C4'-P energy: -18.168
tors. eta vs tors. theta energy: -41.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -419.647946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.647946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.647946 (E_RNA)
where:
Base-Base interactions energy: -290.061
where: short stacking energy: -121.109
Base-Backbone interact. energy: -1.266
local terms energy: -128.321535
where:
bonds (distance) C4'-P energy: -23.296
bonds (distance) P-C4' energy: -27.235
flat angles C4'-P-C4' energy: -32.979
flat angles P-C4'-P energy: -17.113
tors. eta vs tors. theta energy: -27.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -329.459092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.459092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.459092 (E_RNA)
where:
Base-Base interactions energy: -202.305
where: short stacking energy: -99.426
Base-Backbone interact. energy: 3.909
local terms energy: -131.062543
where:
bonds (distance) C4'-P energy: -33.821
bonds (distance) P-C4' energy: -26.166
flat angles C4'-P-C4' energy: -28.180
flat angles P-C4'-P energy: -20.175
tors. eta vs tors. theta energy: -22.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -301.292936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.292936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.292936 (E_RNA)
where:
Base-Base interactions energy: -179.219
where: short stacking energy: -84.450
Base-Backbone interact. energy: 1.005
local terms energy: -123.078896
where:
bonds (distance) C4'-P energy: -30.531
bonds (distance) P-C4' energy: -31.853
flat angles C4'-P-C4' energy: -30.964
flat angles P-C4'-P energy: -16.033
tors. eta vs tors. theta energy: -13.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -228.042438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.042438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.042438 (E_RNA)
where:
Base-Base interactions energy: -131.821
where: short stacking energy: -68.898
Base-Backbone interact. energy: -0.686
local terms energy: -95.534710
where:
bonds (distance) C4'-P energy: -25.851
bonds (distance) P-C4' energy: -25.164
flat angles C4'-P-C4' energy: -24.448
flat angles P-C4'-P energy: -13.969
tors. eta vs tors. theta energy: -6.103
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: 2
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -613.496713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.496713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.496713 (E_RNA)
where:
Base-Base interactions energy: -428.381
where: short stacking energy: -180.028
Base-Backbone interact. energy: -2.856
local terms energy: -182.260240
where:
bonds (distance) C4'-P energy: -34.721
bonds (distance) P-C4' energy: -29.817
flat angles C4'-P-C4' energy: -39.732
flat angles P-C4'-P energy: -26.016
tors. eta vs tors. theta energy: -51.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -575.166997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.166997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.166997 (E_RNA)
where:
Base-Base interactions energy: -400.635
where: short stacking energy: -183.100
Base-Backbone interact. energy: -0.843
local terms energy: -173.689153
where:
bonds (distance) C4'-P energy: -26.627
bonds (distance) P-C4' energy: -35.612
flat angles C4'-P-C4' energy: -35.422
flat angles P-C4'-P energy: -24.481
tors. eta vs tors. theta energy: -51.546
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: 1
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -579.618131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.618131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.618131 (E_RNA)
where:
Base-Base interactions energy: -416.657
where: short stacking energy: -158.188
Base-Backbone interact. energy: 0.139
local terms energy: -163.099978
where:
bonds (distance) C4'-P energy: -37.959
bonds (distance) P-C4' energy: -28.631
flat angles C4'-P-C4' energy: -37.910
flat angles P-C4'-P energy: -23.640
tors. eta vs tors. theta energy: -34.960
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: 4
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -454.221125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.221125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.221125 (E_RNA)
where:
Base-Base interactions energy: -309.826
where: short stacking energy: -123.998
Base-Backbone interact. energy: -0.443
local terms energy: -143.951277
where:
bonds (distance) C4'-P energy: -32.353
bonds (distance) P-C4' energy: -37.107
flat angles C4'-P-C4' energy: -30.157
flat angles P-C4'-P energy: -19.617
tors. eta vs tors. theta energy: -24.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -467.182306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.182306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.182306 (E_RNA)
where:
Base-Base interactions energy: -309.718
where: short stacking energy: -138.158
Base-Backbone interact. energy: 0.807
local terms energy: -158.271663
where:
bonds (distance) C4'-P energy: -35.235
bonds (distance) P-C4' energy: -26.580
flat angles C4'-P-C4' energy: -34.404
flat angles P-C4'-P energy: -23.177
tors. eta vs tors. theta energy: -38.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -461.662360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.662360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.662360 (E_RNA)
where:
Base-Base interactions energy: -312.580
where: short stacking energy: -137.619
Base-Backbone interact. energy: -1.299
local terms energy: -147.783406
where:
bonds (distance) C4'-P energy: -32.779
bonds (distance) P-C4' energy: -20.575
flat angles C4'-P-C4' energy: -33.828
flat angles P-C4'-P energy: -23.483
tors. eta vs tors. theta energy: -37.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -372.074999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.074999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.074999 (E_RNA)
where:
Base-Base interactions energy: -234.399
where: short stacking energy: -105.348
Base-Backbone interact. energy: -0.124
local terms energy: -137.552032
where:
bonds (distance) C4'-P energy: -26.521
bonds (distance) P-C4' energy: -34.170
flat angles C4'-P-C4' energy: -28.736
flat angles P-C4'-P energy: -21.289
tors. eta vs tors. theta energy: -26.836
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: 5
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -323.922071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.922071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.922071 (E_RNA)
where:
Base-Base interactions energy: -196.487
where: short stacking energy: -93.201
Base-Backbone interact. energy: -1.599
local terms energy: -125.836934
where:
bonds (distance) C4'-P energy: -38.775
bonds (distance) P-C4' energy: -33.149
flat angles C4'-P-C4' energy: -24.428
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: -16.123
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: 10
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -237.022002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.022002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.022002 (E_RNA)
where:
Base-Base interactions energy: -118.507
where: short stacking energy: -65.294
Base-Backbone interact. energy: 1.094
local terms energy: -119.608487
where:
bonds (distance) C4'-P energy: -34.999
bonds (distance) P-C4' energy: -28.750
flat angles C4'-P-C4' energy: -31.417
flat angles P-C4'-P energy: -19.743
tors. eta vs tors. theta energy: -4.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -282.614568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.614568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.614568 (E_RNA)
where:
Base-Base interactions energy: -168.974
where: short stacking energy: -88.199
Base-Backbone interact. energy: 0.270
local terms energy: -113.910962
where:
bonds (distance) C4'-P energy: -26.691
bonds (distance) P-C4' energy: -31.291
flat angles C4'-P-C4' energy: -28.910
flat angles P-C4'-P energy: -20.739
tors. eta vs tors. theta energy: -6.280
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: 2
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -622.196580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.196580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.196580 (E_RNA)
where:
Base-Base interactions energy: -445.168
where: short stacking energy: -186.716
Base-Backbone interact. energy: -1.047
local terms energy: -175.981668
where:
bonds (distance) C4'-P energy: -24.548
bonds (distance) P-C4' energy: -34.935
flat angles C4'-P-C4' energy: -38.288
flat angles P-C4'-P energy: -26.756
tors. eta vs tors. theta energy: -51.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -593.002191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.002191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.002191 (E_RNA)
where:
Base-Base interactions energy: -426.855
where: short stacking energy: -165.377
Base-Backbone interact. energy: -1.483
local terms energy: -164.663868
where:
bonds (distance) C4'-P energy: -33.720
bonds (distance) P-C4' energy: -33.142
flat angles C4'-P-C4' energy: -35.608
flat angles P-C4'-P energy: -27.294
tors. eta vs tors. theta energy: -34.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -577.833584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.833584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.833584 (E_RNA)
where:
Base-Base interactions energy: -396.562
where: short stacking energy: -169.281
Base-Backbone interact. energy: -0.476
local terms energy: -180.795675
where:
bonds (distance) C4'-P energy: -32.096
bonds (distance) P-C4' energy: -35.524
flat angles C4'-P-C4' energy: -34.589
flat angles P-C4'-P energy: -29.688
tors. eta vs tors. theta energy: -48.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -516.828445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.828445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.828445 (E_RNA)
where:
Base-Base interactions energy: -349.371
where: short stacking energy: -149.330
Base-Backbone interact. energy: -0.409
local terms energy: -167.048080
where:
bonds (distance) C4'-P energy: -37.178
bonds (distance) P-C4' energy: -29.521
flat angles C4'-P-C4' energy: -34.011
flat angles P-C4'-P energy: -24.292
tors. eta vs tors. theta energy: -42.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -454.329367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.329367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.329367 (E_RNA)
where:
Base-Base interactions energy: -310.635
where: short stacking energy: -132.921
Base-Backbone interact. energy: 1.189
local terms energy: -144.883876
where:
bonds (distance) C4'-P energy: -30.927
bonds (distance) P-C4' energy: -31.899
flat angles C4'-P-C4' energy: -27.429
flat angles P-C4'-P energy: -22.912
tors. eta vs tors. theta energy: -31.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -473.437555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.437555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.437555 (E_RNA)
where:
Base-Base interactions energy: -323.335
where: short stacking energy: -130.342
Base-Backbone interact. energy: -0.098
local terms energy: -150.004349
where:
bonds (distance) C4'-P energy: -33.511
bonds (distance) P-C4' energy: -29.122
flat angles C4'-P-C4' energy: -32.921
flat angles P-C4'-P energy: -20.359
tors. eta vs tors. theta energy: -34.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -384.184626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.184626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.184626 (E_RNA)
where:
Base-Base interactions energy: -246.487
where: short stacking energy: -103.587
Base-Backbone interact. energy: -0.076
local terms energy: -137.621749
where:
bonds (distance) C4'-P energy: -25.384
bonds (distance) P-C4' energy: -38.164
flat angles C4'-P-C4' energy: -30.759
flat angles P-C4'-P energy: -17.892
tors. eta vs tors. theta energy: -25.423
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: 5
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -364.260994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.260994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.260994 (E_RNA)
where:
Base-Base interactions energy: -232.424
where: short stacking energy: -110.398
Base-Backbone interact. energy: -0.589
local terms energy: -131.247893
where:
bonds (distance) C4'-P energy: -28.192
bonds (distance) P-C4' energy: -33.009
flat angles C4'-P-C4' energy: -28.388
flat angles P-C4'-P energy: -20.726
tors. eta vs tors. theta energy: -20.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -243.726018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.726018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.726018 (E_RNA)
where:
Base-Base interactions energy: -119.437
where: short stacking energy: -59.520
Base-Backbone interact. energy: -0.922
local terms energy: -123.366926
where:
bonds (distance) C4'-P energy: -36.188
bonds (distance) P-C4' energy: -31.424
flat angles C4'-P-C4' energy: -28.479
flat angles P-C4'-P energy: -22.021
tors. eta vs tors. theta energy: -5.255
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: 7
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -267.650661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.650661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.650661 (E_RNA)
where:
Base-Base interactions energy: -165.709
where: short stacking energy: -81.331
Base-Backbone interact. energy: 0.584
local terms energy: -102.524856
where:
bonds (distance) C4'-P energy: -27.872
bonds (distance) P-C4' energy: -33.647
flat angles C4'-P-C4' energy: -24.963
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -7.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -605.820839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.820839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.820839 (E_RNA)
where:
Base-Base interactions energy: -420.576
where: short stacking energy: -174.471
Base-Backbone interact. energy: -2.126
local terms energy: -183.118838
where:
bonds (distance) C4'-P energy: -38.862
bonds (distance) P-C4' energy: -32.236
flat angles C4'-P-C4' energy: -36.655
flat angles P-C4'-P energy: -28.505
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: 1
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -594.661703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.661703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.661703 (E_RNA)
where:
Base-Base interactions energy: -442.001
where: short stacking energy: -172.981
Base-Backbone interact. energy: -0.456
local terms energy: -152.205135
where:
bonds (distance) C4'-P energy: -25.996
bonds (distance) P-C4' energy: -26.470
flat angles C4'-P-C4' energy: -37.748
flat angles P-C4'-P energy: -23.719
tors. eta vs tors. theta energy: -38.272
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: 9
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -590.426182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.426182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.426182 (E_RNA)
where:
Base-Base interactions energy: -400.478
where: short stacking energy: -177.599
Base-Backbone interact. energy: -0.067
local terms energy: -189.880657
where:
bonds (distance) C4'-P energy: -36.976
bonds (distance) P-C4' energy: -37.394
flat angles C4'-P-C4' energy: -39.440
flat angles P-C4'-P energy: -24.653
tors. eta vs tors. theta energy: -51.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -528.859766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.859766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.859766 (E_RNA)
where:
Base-Base interactions energy: -363.171
where: short stacking energy: -160.888
Base-Backbone interact. energy: -0.772
local terms energy: -164.916783
where:
bonds (distance) C4'-P energy: -30.601
bonds (distance) P-C4' energy: -33.166
flat angles C4'-P-C4' energy: -38.306
flat angles P-C4'-P energy: -18.471
tors. eta vs tors. theta energy: -44.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -457.335390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.335390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.335390 (E_RNA)
where:
Base-Base interactions energy: -307.655
where: short stacking energy: -136.983
Base-Backbone interact. energy: 0.239
local terms energy: -149.919539
where:
bonds (distance) C4'-P energy: -28.550
bonds (distance) P-C4' energy: -29.826
flat angles C4'-P-C4' energy: -37.066
flat angles P-C4'-P energy: -22.518
tors. eta vs tors. theta energy: -31.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -496.205900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.205900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.205900 (E_RNA)
where:
Base-Base interactions energy: -330.436
where: short stacking energy: -141.981
Base-Backbone interact. energy: -0.802
local terms energy: -164.967370
where:
bonds (distance) C4'-P energy: -29.306
bonds (distance) P-C4' energy: -35.629
flat angles C4'-P-C4' energy: -35.514
flat angles P-C4'-P energy: -23.351
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: 7, replica: 5
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -360.346203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.346203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.346203 (E_RNA)
where:
Base-Base interactions energy: -231.183
where: short stacking energy: -94.930
Base-Backbone interact. energy: -1.360
local terms energy: -127.802624
where:
bonds (distance) C4'-P energy: -26.461
bonds (distance) P-C4' energy: -29.787
flat angles C4'-P-C4' energy: -24.922
flat angles P-C4'-P energy: -26.186
tors. eta vs tors. theta energy: -20.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -368.609659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.609659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.609659 (E_RNA)
where:
Base-Base interactions energy: -235.079
where: short stacking energy: -118.502
Base-Backbone interact. energy: -1.403
local terms energy: -132.127823
where:
bonds (distance) C4'-P energy: -28.036
bonds (distance) P-C4' energy: -30.251
flat angles C4'-P-C4' energy: -26.095
flat angles P-C4'-P energy: -22.256
tors. eta vs tors. theta energy: -25.489
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: 7
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -260.849477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.849477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.849477 (E_RNA)
where:
Base-Base interactions energy: -148.500
where: short stacking energy: -64.520
Base-Backbone interact. energy: 4.295
local terms energy: -116.644744
where:
bonds (distance) C4'-P energy: -28.373
bonds (distance) P-C4' energy: -31.253
flat angles C4'-P-C4' energy: -33.226
flat angles P-C4'-P energy: -22.217
tors. eta vs tors. theta energy: -1.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -208.036232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.036232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.036232 (E_RNA)
where:
Base-Base interactions energy: -115.001
where: short stacking energy: -58.416
Base-Backbone interact. energy: 0.496
local terms energy: -93.531096
where:
bonds (distance) C4'-P energy: -33.094
bonds (distance) P-C4' energy: -20.085
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -21.627
tors. eta vs tors. theta energy: -4.442
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: 1, replica: 2
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -612.886906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.886906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.886906 (E_RNA)
where:
Base-Base interactions energy: -435.214
where: short stacking energy: -173.661
Base-Backbone interact. energy: 2.334
local terms energy: -180.007157
where:
bonds (distance) C4'-P energy: -36.811
bonds (distance) P-C4' energy: -37.692
flat angles C4'-P-C4' energy: -32.839
flat angles P-C4'-P energy: -22.148
tors. eta vs tors. theta energy: -50.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -599.149758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.149758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.149758 (E_RNA)
where:
Base-Base interactions energy: -430.345
where: short stacking energy: -168.680
Base-Backbone interact. energy: -1.470
local terms energy: -167.334757
where:
bonds (distance) C4'-P energy: -30.440
bonds (distance) P-C4' energy: -33.366
flat angles C4'-P-C4' energy: -39.330
flat angles P-C4'-P energy: -23.433
tors. eta vs tors. theta energy: -40.765
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: 3, replica: 9
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -580.233544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.233544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.233544 (E_RNA)
where:
Base-Base interactions energy: -397.783
where: short stacking energy: -177.457
Base-Backbone interact. energy: -0.202
local terms energy: -182.248115
where:
bonds (distance) C4'-P energy: -31.379
bonds (distance) P-C4' energy: -32.413
flat angles C4'-P-C4' energy: -37.894
flat angles P-C4'-P energy: -27.559
tors. eta vs tors. theta energy: -53.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -502.030978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.030978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.030978 (E_RNA)
where:
Base-Base interactions energy: -337.040
where: short stacking energy: -146.173
Base-Backbone interact. energy: 0.043
local terms energy: -165.034496
where:
bonds (distance) C4'-P energy: -38.202
bonds (distance) P-C4' energy: -33.149
flat angles C4'-P-C4' energy: -31.371
flat angles P-C4'-P energy: -17.993
tors. eta vs tors. theta energy: -44.319
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: 4
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -474.649331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.649331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.649331 (E_RNA)
where:
Base-Base interactions energy: -307.421
where: short stacking energy: -144.835
Base-Backbone interact. energy: -0.624
local terms energy: -166.604516
where:
bonds (distance) C4'-P energy: -33.077
bonds (distance) P-C4' energy: -31.460
flat angles C4'-P-C4' energy: -34.840
flat angles P-C4'-P energy: -27.136
tors. eta vs tors. theta energy: -40.091
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: 3
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -491.068647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.068647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.068647 (E_RNA)
where:
Base-Base interactions energy: -329.564
where: short stacking energy: -138.313
Base-Backbone interact. energy: 0.998
local terms energy: -162.503479
where:
bonds (distance) C4'-P energy: -30.665
bonds (distance) P-C4' energy: -37.077
flat angles C4'-P-C4' energy: -32.193
flat angles P-C4'-P energy: -26.943
tors. eta vs tors. theta energy: -35.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -390.834845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.834845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.834845 (E_RNA)
where:
Base-Base interactions energy: -259.587
where: short stacking energy: -123.810
Base-Backbone interact. energy: -0.508
local terms energy: -130.739736
where:
bonds (distance) C4'-P energy: -28.427
bonds (distance) P-C4' energy: -30.238
flat angles C4'-P-C4' energy: -37.305
flat angles P-C4'-P energy: -6.493
tors. eta vs tors. theta energy: -28.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -335.364648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.364648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.364648 (E_RNA)
where:
Base-Base interactions energy: -209.124
where: short stacking energy: -107.034
Base-Backbone interact. energy: -0.333
local terms energy: -125.907609
where:
bonds (distance) C4'-P energy: -31.654
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -28.738
flat angles P-C4'-P energy: -20.017
tors. eta vs tors. theta energy: -20.448
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: 7
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -245.403387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.403387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.403387 (E_RNA)
where:
Base-Base interactions energy: -127.254
where: short stacking energy: -71.573
Base-Backbone interact. energy: 0.633
local terms energy: -118.782780
where:
bonds (distance) C4'-P energy: -31.412
bonds (distance) P-C4' energy: -28.951
flat angles C4'-P-C4' energy: -31.998
flat angles P-C4'-P energy: -19.474
tors. eta vs tors. theta energy: -6.948
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: 10
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -170.527914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.527914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.527914 (E_RNA)
where:
Base-Base interactions energy: -57.496
where: short stacking energy: -44.369
Base-Backbone interact. energy: -0.670
local terms energy: -112.361741
where:
bonds (distance) C4'-P energy: -35.280
bonds (distance) P-C4' energy: -24.708
flat angles C4'-P-C4' energy: -25.067
flat angles P-C4'-P energy: -20.233
tors. eta vs tors. theta energy: -7.074
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: 2
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -610.431536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.431536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.431536 (E_RNA)
where:
Base-Base interactions energy: -427.308
where: short stacking energy: -176.080
Base-Backbone interact. energy: -1.024
local terms energy: -182.100436
where:
bonds (distance) C4'-P energy: -34.353
bonds (distance) P-C4' energy: -37.802
flat angles C4'-P-C4' energy: -38.844
flat angles P-C4'-P energy: -27.112
tors. eta vs tors. theta energy: -43.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -594.292368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.292368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.292368 (E_RNA)
where:
Base-Base interactions energy: -436.128
where: short stacking energy: -170.587
Base-Backbone interact. energy: -1.361
local terms energy: -156.802438
where:
bonds (distance) C4'-P energy: -28.693
bonds (distance) P-C4' energy: -30.665
flat angles C4'-P-C4' energy: -34.804
flat angles P-C4'-P energy: -25.527
tors. eta vs tors. theta energy: -37.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -589.552949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.552949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.552949 (E_RNA)
where:
Base-Base interactions energy: -404.184
where: short stacking energy: -180.098
Base-Backbone interact. energy: -1.598
local terms energy: -183.770059
where:
bonds (distance) C4'-P energy: -31.806
bonds (distance) P-C4' energy: -34.499
flat angles C4'-P-C4' energy: -39.061
flat angles P-C4'-P energy: -20.956
tors. eta vs tors. theta energy: -57.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -519.466029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.466029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.466029 (E_RNA)
where:
Base-Base interactions energy: -352.759
where: short stacking energy: -158.165
Base-Backbone interact. energy: 0.012
local terms energy: -166.718763
where:
bonds (distance) C4'-P energy: -26.963
bonds (distance) P-C4' energy: -34.818
flat angles C4'-P-C4' energy: -36.297
flat angles P-C4'-P energy: -24.260
tors. eta vs tors. theta energy: -44.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -496.736152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.736152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.736152 (E_RNA)
where:
Base-Base interactions energy: -353.910
where: short stacking energy: -145.786
Base-Backbone interact. energy: -1.092
local terms energy: -141.733802
where:
bonds (distance) C4'-P energy: -17.835
bonds (distance) P-C4' energy: -29.245
flat angles C4'-P-C4' energy: -37.163
flat angles P-C4'-P energy: -21.982
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: 6, replica: 4
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -477.495922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.495922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.495922 (E_RNA)
where:
Base-Base interactions energy: -327.537
where: short stacking energy: -138.166
Base-Backbone interact. energy: -1.596
local terms energy: -148.362726
where:
bonds (distance) C4'-P energy: -31.485
bonds (distance) P-C4' energy: -25.855
flat angles C4'-P-C4' energy: -32.770
flat angles P-C4'-P energy: -20.737
tors. eta vs tors. theta energy: -37.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -410.916676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.916676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.916676 (E_RNA)
where:
Base-Base interactions energy: -259.463
where: short stacking energy: -125.747
Base-Backbone interact. energy: -0.333
local terms energy: -151.120245
where:
bonds (distance) C4'-P energy: -30.109
bonds (distance) P-C4' energy: -34.440
flat angles C4'-P-C4' energy: -35.393
flat angles P-C4'-P energy: -25.296
tors. eta vs tors. theta energy: -25.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -350.674429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.674429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.674429 (E_RNA)
where:
Base-Base interactions energy: -218.539
where: short stacking energy: -104.806
Base-Backbone interact. energy: -0.838
local terms energy: -131.297751
where:
bonds (distance) C4'-P energy: -34.370
bonds (distance) P-C4' energy: -32.287
flat angles C4'-P-C4' energy: -26.018
flat angles P-C4'-P energy: -18.542
tors. eta vs tors. theta energy: -20.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -251.584392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.584392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.584392 (E_RNA)
where:
Base-Base interactions energy: -137.202
where: short stacking energy: -65.643
Base-Backbone interact. energy: -1.970
local terms energy: -112.413125
where:
bonds (distance) C4'-P energy: -29.064
bonds (distance) P-C4' energy: -30.240
flat angles C4'-P-C4' energy: -23.431
flat angles P-C4'-P energy: -19.279
tors. eta vs tors. theta energy: -10.400
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: 10
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -166.767331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.767331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.767331 (E_RNA)
where:
Base-Base interactions energy: -66.172
where: short stacking energy: -66.172
Base-Backbone interact. energy: -0.257
local terms energy: -100.338258
where:
bonds (distance) C4'-P energy: -30.533
bonds (distance) P-C4' energy: -33.994
flat angles C4'-P-C4' energy: -25.902
flat angles P-C4'-P energy: -13.304
tors. eta vs tors. theta energy: 3.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -614.222219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.222219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.222219 (E_RNA)
where:
Base-Base interactions energy: -424.882
where: short stacking energy: -181.665
Base-Backbone interact. energy: -2.560
local terms energy: -186.780428
where:
bonds (distance) C4'-P energy: -35.550
bonds (distance) P-C4' energy: -40.121
flat angles C4'-P-C4' energy: -36.449
flat angles P-C4'-P energy: -27.501
tors. eta vs tors. theta energy: -47.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -598.972184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.972184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.972184 (E_RNA)
where:
Base-Base interactions energy: -411.990
where: short stacking energy: -181.699
Base-Backbone interact. energy: -0.046
local terms energy: -186.935805
where:
bonds (distance) C4'-P energy: -29.920
bonds (distance) P-C4' energy: -30.007
flat angles C4'-P-C4' energy: -39.254
flat angles P-C4'-P energy: -32.653
tors. eta vs tors. theta energy: -55.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -573.519081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.519081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.519081 (E_RNA)
where:
Base-Base interactions energy: -413.339
where: short stacking energy: -156.364
Base-Backbone interact. energy: -1.452
local terms energy: -158.728525
where:
bonds (distance) C4'-P energy: -28.850
bonds (distance) P-C4' energy: -30.364
flat angles C4'-P-C4' energy: -33.519
flat angles P-C4'-P energy: -28.264
tors. eta vs tors. theta energy: -37.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -531.647152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.647152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.647152 (E_RNA)
where:
Base-Base interactions energy: -347.131
where: short stacking energy: -155.619
Base-Backbone interact. energy: -0.354
local terms energy: -184.161661
where:
bonds (distance) C4'-P energy: -34.134
bonds (distance) P-C4' energy: -36.249
flat angles C4'-P-C4' energy: -40.272
flat angles P-C4'-P energy: -24.153
tors. eta vs tors. theta energy: -49.354
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: 5, replica: 3
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -483.442927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.442927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.442927 (E_RNA)
where:
Base-Base interactions energy: -343.733
where: short stacking energy: -155.425
Base-Backbone interact. energy: -2.753
local terms energy: -136.956726
where:
bonds (distance) C4'-P energy: -30.167
bonds (distance) P-C4' energy: -28.074
flat angles C4'-P-C4' energy: -28.379
flat angles P-C4'-P energy: -13.715
tors. eta vs tors. theta energy: -36.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -483.674629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.674629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.674629 (E_RNA)
where:
Base-Base interactions energy: -317.627
where: short stacking energy: -140.021
Base-Backbone interact. energy: -0.249
local terms energy: -165.799212
where:
bonds (distance) C4'-P energy: -31.265
bonds (distance) P-C4' energy: -33.705
flat angles C4'-P-C4' energy: -35.442
flat angles P-C4'-P energy: -27.675
tors. eta vs tors. theta energy: -37.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -391.442429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.442429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.442429 (E_RNA)
where:
Base-Base interactions energy: -242.424
where: short stacking energy: -109.409
Base-Backbone interact. energy: 1.930
local terms energy: -150.948192
where:
bonds (distance) C4'-P energy: -29.364
bonds (distance) P-C4' energy: -33.409
flat angles C4'-P-C4' energy: -33.515
flat angles P-C4'-P energy: -20.653
tors. eta vs tors. theta energy: -34.008
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: 6
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -344.358634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.358634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.358634 (E_RNA)
where:
Base-Base interactions energy: -211.599
where: short stacking energy: -104.497
Base-Backbone interact. energy: -1.176
local terms energy: -131.583970
where:
bonds (distance) C4'-P energy: -28.974
bonds (distance) P-C4' energy: -30.913
flat angles C4'-P-C4' energy: -36.607
flat angles P-C4'-P energy: -17.658
tors. eta vs tors. theta energy: -17.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -243.659803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.659803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.659803 (E_RNA)
where:
Base-Base interactions energy: -136.535
where: short stacking energy: -85.710
Base-Backbone interact. energy: -0.040
local terms energy: -107.085110
where:
bonds (distance) C4'-P energy: -21.506
bonds (distance) P-C4' energy: -28.473
flat angles C4'-P-C4' energy: -26.727
flat angles P-C4'-P energy: -19.241
tors. eta vs tors. theta energy: -11.139
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: 10
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -167.991360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.991360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.991360 (E_RNA)
where:
Base-Base interactions energy: -64.874
where: short stacking energy: -56.064
Base-Backbone interact. energy: -0.388
local terms energy: -102.730067
where:
bonds (distance) C4'-P energy: -24.687
bonds (distance) P-C4' energy: -38.290
flat angles C4'-P-C4' energy: -23.181
flat angles P-C4'-P energy: -15.829
tors. eta vs tors. theta energy: -0.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -601.674398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.674398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.674398 (E_RNA)
where:
Base-Base interactions energy: -411.590
where: short stacking energy: -192.632
Base-Backbone interact. energy: -0.103
local terms energy: -189.981501
where:
bonds (distance) C4'-P energy: -31.153
bonds (distance) P-C4' energy: -39.182
flat angles C4'-P-C4' energy: -40.458
flat angles P-C4'-P energy: -20.841
tors. eta vs tors. theta energy: -58.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -599.818425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.818425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.818425 (E_RNA)
where:
Base-Base interactions energy: -414.169
where: short stacking energy: -180.055
Base-Backbone interact. energy: -0.516
local terms energy: -185.134237
where:
bonds (distance) C4'-P energy: -32.792
bonds (distance) P-C4' energy: -38.266
flat angles C4'-P-C4' energy: -38.070
flat angles P-C4'-P energy: -26.687
tors. eta vs tors. theta energy: -49.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -595.405491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.405491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.405491 (E_RNA)
where:
Base-Base interactions energy: -427.164
where: short stacking energy: -160.267
Base-Backbone interact. energy: -2.166
local terms energy: -166.074805
where:
bonds (distance) C4'-P energy: -30.213
bonds (distance) P-C4' energy: -33.786
flat angles C4'-P-C4' energy: -30.264
flat angles P-C4'-P energy: -30.196
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: 4, replica: 8
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -515.333333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.333333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.333333 (E_RNA)
where:
Base-Base interactions energy: -344.579
where: short stacking energy: -160.682
Base-Backbone interact. energy: -0.680
local terms energy: -170.074668
where:
bonds (distance) C4'-P energy: -35.198
bonds (distance) P-C4' energy: -26.072
flat angles C4'-P-C4' energy: -38.241
flat angles P-C4'-P energy: -29.512
tors. eta vs tors. theta energy: -41.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -495.806976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.806976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.806976 (E_RNA)
where:
Base-Base interactions energy: -346.767
where: short stacking energy: -156.020
Base-Backbone interact. energy: -0.405
local terms energy: -148.634906
where:
bonds (distance) C4'-P energy: -26.018
bonds (distance) P-C4' energy: -30.726
flat angles C4'-P-C4' energy: -39.484
flat angles P-C4'-P energy: -21.480
tors. eta vs tors. theta energy: -30.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -438.289991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.289991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.289991 (E_RNA)
where:
Base-Base interactions energy: -292.292
where: short stacking energy: -135.227
Base-Backbone interact. energy: -0.262
local terms energy: -145.735974
where:
bonds (distance) C4'-P energy: -27.520
bonds (distance) P-C4' energy: -29.657
flat angles C4'-P-C4' energy: -35.657
flat angles P-C4'-P energy: -24.742
tors. eta vs tors. theta energy: -28.161
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: 7, replica: 5
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -407.568408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.568408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.568408 (E_RNA)
where:
Base-Base interactions energy: -264.849
where: short stacking energy: -114.489
Base-Backbone interact. energy: -1.413
local terms energy: -141.305726
where:
bonds (distance) C4'-P energy: -27.298
bonds (distance) P-C4' energy: -31.978
flat angles C4'-P-C4' energy: -33.199
flat angles P-C4'-P energy: -20.905
tors. eta vs tors. theta energy: -27.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -357.915442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.915442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.915442 (E_RNA)
where:
Base-Base interactions energy: -224.418
where: short stacking energy: -95.985
Base-Backbone interact. energy: -1.940
local terms energy: -131.557294
where:
bonds (distance) C4'-P energy: -34.821
bonds (distance) P-C4' energy: -33.991
flat angles C4'-P-C4' energy: -35.356
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: -20.668
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: 7
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -232.150652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.150652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.150652 (E_RNA)
where:
Base-Base interactions energy: -128.087
where: short stacking energy: -79.260
Base-Backbone interact. energy: -0.752
local terms energy: -103.311042
where:
bonds (distance) C4'-P energy: -26.438
bonds (distance) P-C4' energy: -27.035
flat angles C4'-P-C4' energy: -19.906
flat angles P-C4'-P energy: -25.869
tors. eta vs tors. theta energy: -4.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -162.228658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.228658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.228658 (E_RNA)
where:
Base-Base interactions energy: -65.584
where: short stacking energy: -36.737
Base-Backbone interact. energy: 0.084
local terms energy: -96.728622
where:
bonds (distance) C4'-P energy: -26.742
bonds (distance) P-C4' energy: -33.659
flat angles C4'-P-C4' energy: -26.409
flat angles P-C4'-P energy: -18.103
tors. eta vs tors. theta energy: 8.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -610.645054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.645054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.645054 (E_RNA)
where:
Base-Base interactions energy: -409.083
where: short stacking energy: -188.007
Base-Backbone interact. energy: -0.104
local terms energy: -201.457860
where:
bonds (distance) C4'-P energy: -35.831
bonds (distance) P-C4' energy: -39.125
flat angles C4'-P-C4' energy: -40.357
flat angles P-C4'-P energy: -27.351
tors. eta vs tors. theta energy: -58.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -603.501472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.501472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.501472 (E_RNA)
where:
Base-Base interactions energy: -439.409
where: short stacking energy: -170.742
Base-Backbone interact. energy: -2.174
local terms energy: -161.917650
where:
bonds (distance) C4'-P energy: -30.590
bonds (distance) P-C4' energy: -26.428
flat angles C4'-P-C4' energy: -38.760
flat angles P-C4'-P energy: -25.941
tors. eta vs tors. theta energy: -40.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -585.600290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.600290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.600290 (E_RNA)
where:
Base-Base interactions energy: -408.441
where: short stacking energy: -176.114
Base-Backbone interact. energy: -1.686
local terms energy: -175.473733
where:
bonds (distance) C4'-P energy: -38.612
bonds (distance) P-C4' energy: -30.011
flat angles C4'-P-C4' energy: -37.236
flat angles P-C4'-P energy: -19.211
tors. eta vs tors. theta energy: -50.404
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: 4, replica: 4
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -530.012934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.012934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.012934 (E_RNA)
where:
Base-Base interactions energy: -383.232
where: short stacking energy: -151.820
Base-Backbone interact. energy: 0.049
local terms energy: -146.829612
where:
bonds (distance) C4'-P energy: -27.957
bonds (distance) P-C4' energy: -30.962
flat angles C4'-P-C4' energy: -29.555
flat angles P-C4'-P energy: -21.691
tors. eta vs tors. theta energy: -36.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -493.688394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.688394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.688394 (E_RNA)
where:
Base-Base interactions energy: -339.193
where: short stacking energy: -148.675
Base-Backbone interact. energy: 0.369
local terms energy: -154.865060
where:
bonds (distance) C4'-P energy: -23.864
bonds (distance) P-C4' energy: -34.848
flat angles C4'-P-C4' energy: -34.478
flat angles P-C4'-P energy: -16.965
tors. eta vs tors. theta energy: -44.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -440.944008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.944008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.944008 (E_RNA)
where:
Base-Base interactions energy: -285.063
where: short stacking energy: -139.426
Base-Backbone interact. energy: -1.001
local terms energy: -154.880612
where:
bonds (distance) C4'-P energy: -28.738
bonds (distance) P-C4' energy: -29.314
flat angles C4'-P-C4' energy: -39.632
flat angles P-C4'-P energy: -21.844
tors. eta vs tors. theta energy: -35.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -392.584273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.584273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.584273 (E_RNA)
where:
Base-Base interactions energy: -267.700
where: short stacking energy: -119.148
Base-Backbone interact. energy: 0.940
local terms energy: -125.823929
where:
bonds (distance) C4'-P energy: -28.891
bonds (distance) P-C4' energy: -26.527
flat angles C4'-P-C4' energy: -24.787
flat angles P-C4'-P energy: -21.115
tors. eta vs tors. theta energy: -24.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -333.690598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.690598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.690598 (E_RNA)
where:
Base-Base interactions energy: -203.905
where: short stacking energy: -114.333
Base-Backbone interact. energy: -0.195
local terms energy: -129.590846
where:
bonds (distance) C4'-P energy: -30.144
bonds (distance) P-C4' energy: -31.703
flat angles C4'-P-C4' energy: -35.139
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -25.325
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: 7
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -221.458422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.458422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.458422 (E_RNA)
where:
Base-Base interactions energy: -109.505
where: short stacking energy: -64.808
Base-Backbone interact. energy: 0.820
local terms energy: -112.773646
where:
bonds (distance) C4'-P energy: -26.255
bonds (distance) P-C4' energy: -27.072
flat angles C4'-P-C4' energy: -24.071
flat angles P-C4'-P energy: -19.748
tors. eta vs tors. theta energy: -15.628
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: 10
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -151.752714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.752714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.752714 (E_RNA)
where:
Base-Base interactions energy: -60.388
where: short stacking energy: -33.683
Base-Backbone interact. energy: -0.231
local terms energy: -91.133958
where:
bonds (distance) C4'-P energy: -34.004
bonds (distance) P-C4' energy: -28.140
flat angles C4'-P-C4' energy: -26.795
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: 6.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -608.436986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.436986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.436986 (E_RNA)
where:
Base-Base interactions energy: -423.585
where: short stacking energy: -188.438
Base-Backbone interact. energy: 0.743
local terms energy: -185.594353
where:
bonds (distance) C4'-P energy: -32.376
bonds (distance) P-C4' energy: -38.649
flat angles C4'-P-C4' energy: -37.818
flat angles P-C4'-P energy: -28.212
tors. eta vs tors. theta energy: -48.539
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: 2, replica: 1
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -611.549296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.549296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.549296 (E_RNA)
where:
Base-Base interactions energy: -434.202
where: short stacking energy: -178.089
Base-Backbone interact. energy: -1.464
local terms energy: -175.882461
where:
bonds (distance) C4'-P energy: -33.478
bonds (distance) P-C4' energy: -34.940
flat angles C4'-P-C4' energy: -40.009
flat angles P-C4'-P energy: -25.162
tors. eta vs tors. theta energy: -42.293
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: 102
Temperature: 1.000000
Total energy: -576.904987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.904987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.904987 (E_RNA)
where:
Base-Base interactions energy: -402.271
where: short stacking energy: -150.457
Base-Backbone interact. energy: -0.665
local terms energy: -173.968341
where:
bonds (distance) C4'-P energy: -34.274
bonds (distance) P-C4' energy: -36.370
flat angles C4'-P-C4' energy: -36.241
flat angles P-C4'-P energy: -28.234
tors. eta vs tors. theta energy: -38.849
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: 4
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -528.589030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.589030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.589030 (E_RNA)
where:
Base-Base interactions energy: -360.690
where: short stacking energy: -155.542
Base-Backbone interact. energy: -0.646
local terms energy: -167.253474
where:
bonds (distance) C4'-P energy: -32.263
bonds (distance) P-C4' energy: -35.018
flat angles C4'-P-C4' energy: -35.385
flat angles P-C4'-P energy: -26.926
tors. eta vs tors. theta energy: -37.661
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: 5, replica: 8
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -486.799274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.799274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.799274 (E_RNA)
where:
Base-Base interactions energy: -322.075
where: short stacking energy: -150.437
Base-Backbone interact. energy: 0.156
local terms energy: -164.879915
where:
bonds (distance) C4'-P energy: -37.014
bonds (distance) P-C4' energy: -28.139
flat angles C4'-P-C4' energy: -33.472
flat angles P-C4'-P energy: -21.438
tors. eta vs tors. theta energy: -44.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -417.408211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.408211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.408211 (E_RNA)
where:
Base-Base interactions energy: -277.224
where: short stacking energy: -131.080
Base-Backbone interact. energy: -1.847
local terms energy: -138.337279
where:
bonds (distance) C4'-P energy: -30.795
bonds (distance) P-C4' energy: -25.991
flat angles C4'-P-C4' energy: -30.307
flat angles P-C4'-P energy: -19.222
tors. eta vs tors. theta energy: -32.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -391.011434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.011434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.011434 (E_RNA)
where:
Base-Base interactions energy: -260.802
where: short stacking energy: -125.875
Base-Backbone interact. energy: -0.546
local terms energy: -129.662975
where:
bonds (distance) C4'-P energy: -31.580
bonds (distance) P-C4' energy: -24.477
flat angles C4'-P-C4' energy: -24.472
flat angles P-C4'-P energy: -19.160
tors. eta vs tors. theta energy: -29.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -307.011813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.011813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.011813 (E_RNA)
where:
Base-Base interactions energy: -177.586
where: short stacking energy: -99.152
Base-Backbone interact. energy: 0.010
local terms energy: -129.436390
where:
bonds (distance) C4'-P energy: -31.357
bonds (distance) P-C4' energy: -35.858
flat angles C4'-P-C4' energy: -26.028
flat angles P-C4'-P energy: -16.465
tors. eta vs tors. theta energy: -19.729
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: 7
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -223.310964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.310964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.310964 (E_RNA)
where:
Base-Base interactions energy: -117.697
where: short stacking energy: -58.987
Base-Backbone interact. energy: -1.082
local terms energy: -104.532360
where:
bonds (distance) C4'-P energy: -30.192
bonds (distance) P-C4' energy: -32.209
flat angles C4'-P-C4' energy: -21.647
flat angles P-C4'-P energy: -18.107
tors. eta vs tors. theta energy: -2.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -168.193209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.193209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.193209 (E_RNA)
where:
Base-Base interactions energy: -62.821
where: short stacking energy: -48.445
Base-Backbone interact. energy: 1.412
local terms energy: -106.784129
where:
bonds (distance) C4'-P energy: -28.959
bonds (distance) P-C4' energy: -33.095
flat angles C4'-P-C4' energy: -27.265
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -6.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -608.062181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.062181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.062181 (E_RNA)
where:
Base-Base interactions energy: -423.772
where: short stacking energy: -197.910
Base-Backbone interact. energy: -0.036
local terms energy: -184.253782
where:
bonds (distance) C4'-P energy: -31.489
bonds (distance) P-C4' energy: -36.865
flat angles C4'-P-C4' energy: -34.549
flat angles P-C4'-P energy: -25.156
tors. eta vs tors. theta energy: -56.195
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: 1
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -608.791205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.791205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.791205 (E_RNA)
where:
Base-Base interactions energy: -433.709
where: short stacking energy: -165.837
Base-Backbone interact. energy: -0.590
local terms energy: -174.492483
where:
bonds (distance) C4'-P energy: -34.420
bonds (distance) P-C4' energy: -35.880
flat angles C4'-P-C4' energy: -36.713
flat angles P-C4'-P energy: -23.454
tors. eta vs tors. theta energy: -44.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -599.396800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.396800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.396800 (E_RNA)
where:
Base-Base interactions energy: -420.730
where: short stacking energy: -171.940
Base-Backbone interact. energy: -1.937
local terms energy: -176.729311
where:
bonds (distance) C4'-P energy: -34.434
bonds (distance) P-C4' energy: -34.323
flat angles C4'-P-C4' energy: -34.488
flat angles P-C4'-P energy: -27.208
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: 4, replica: 4
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -526.558443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.558443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.558443 (E_RNA)
where:
Base-Base interactions energy: -361.254
where: short stacking energy: -143.406
Base-Backbone interact. energy: 0.686
local terms energy: -165.990427
where:
bonds (distance) C4'-P energy: -32.237
bonds (distance) P-C4' energy: -33.198
flat angles C4'-P-C4' energy: -36.243
flat angles P-C4'-P energy: -23.936
tors. eta vs tors. theta energy: -40.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -515.360251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.360251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.360251 (E_RNA)
where:
Base-Base interactions energy: -346.480
where: short stacking energy: -157.194
Base-Backbone interact. energy: -0.509
local terms energy: -168.371661
where:
bonds (distance) C4'-P energy: -28.618
bonds (distance) P-C4' energy: -33.723
flat angles C4'-P-C4' energy: -38.806
flat angles P-C4'-P energy: -20.999
tors. eta vs tors. theta energy: -46.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -438.181718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.181718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.181718 (E_RNA)
where:
Base-Base interactions energy: -292.945
where: short stacking energy: -121.466
Base-Backbone interact. energy: -0.428
local terms energy: -144.808543
where:
bonds (distance) C4'-P energy: -33.400
bonds (distance) P-C4' energy: -32.416
flat angles C4'-P-C4' energy: -27.087
flat angles P-C4'-P energy: -20.180
tors. eta vs tors. theta energy: -31.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -361.694536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.694536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.694536 (E_RNA)
where:
Base-Base interactions energy: -236.940
where: short stacking energy: -113.902
Base-Backbone interact. energy: -1.247
local terms energy: -123.507440
where:
bonds (distance) C4'-P energy: -32.487
bonds (distance) P-C4' energy: -32.968
flat angles C4'-P-C4' energy: -24.135
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -24.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -350.789099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.789099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.789099 (E_RNA)
where:
Base-Base interactions energy: -226.718
where: short stacking energy: -99.028
Base-Backbone interact. energy: -0.523
local terms energy: -123.548427
where:
bonds (distance) C4'-P energy: -32.160
bonds (distance) P-C4' energy: -35.513
flat angles C4'-P-C4' energy: -23.714
flat angles P-C4'-P energy: -14.872
tors. eta vs tors. theta energy: -17.291
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: 7
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -257.096445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.096445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.096445 (E_RNA)
where:
Base-Base interactions energy: -153.035
where: short stacking energy: -65.283
Base-Backbone interact. energy: 2.179
local terms energy: -106.240512
where:
bonds (distance) C4'-P energy: -27.532
bonds (distance) P-C4' energy: -36.854
flat angles C4'-P-C4' energy: -22.741
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -5.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -177.319718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.319718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.319718 (E_RNA)
where:
Base-Base interactions energy: -58.320
where: short stacking energy: -58.093
Base-Backbone interact. energy: -0.345
local terms energy: -118.653949
where:
bonds (distance) C4'-P energy: -31.632
bonds (distance) P-C4' energy: -33.468
flat angles C4'-P-C4' energy: -27.704
flat angles P-C4'-P energy: -19.019
tors. eta vs tors. theta energy: -6.831
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: 104
Temperature: 0.900000
Total energy: -612.540387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.540387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.540387 (E_RNA)
where:
Base-Base interactions energy: -410.322
where: short stacking energy: -194.478
Base-Backbone interact. energy: -0.028
local terms energy: -202.189626
where:
bonds (distance) C4'-P energy: -36.270
bonds (distance) P-C4' energy: -37.236
flat angles C4'-P-C4' energy: -40.878
flat angles P-C4'-P energy: -29.827
tors. eta vs tors. theta energy: -57.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -600.015288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.015288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.015288 (E_RNA)
where:
Base-Base interactions energy: -424.155
where: short stacking energy: -173.882
Base-Backbone interact. energy: -2.520
local terms energy: -173.340223
where:
bonds (distance) C4'-P energy: -29.976
bonds (distance) P-C4' energy: -33.439
flat angles C4'-P-C4' energy: -40.505
flat angles P-C4'-P energy: -25.467
tors. eta vs tors. theta energy: -43.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -588.111200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.111200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.111200 (E_RNA)
where:
Base-Base interactions energy: -415.605
where: short stacking energy: -174.898
Base-Backbone interact. energy: -0.252
local terms energy: -172.254684
where:
bonds (distance) C4'-P energy: -36.485
bonds (distance) P-C4' energy: -28.529
flat angles C4'-P-C4' energy: -33.572
flat angles P-C4'-P energy: -26.334
tors. eta vs tors. theta energy: -47.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -513.137515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.137515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.137515 (E_RNA)
where:
Base-Base interactions energy: -354.005
where: short stacking energy: -146.659
Base-Backbone interact. energy: 0.235
local terms energy: -159.366901
where:
bonds (distance) C4'-P energy: -28.876
bonds (distance) P-C4' energy: -38.867
flat angles C4'-P-C4' energy: -29.286
flat angles P-C4'-P energy: -26.865
tors. eta vs tors. theta energy: -35.474
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: 3
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -462.052200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.052200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.052200 (E_RNA)
where:
Base-Base interactions energy: -307.769
where: short stacking energy: -145.623
Base-Backbone interact. energy: 0.844
local terms energy: -155.127645
where:
bonds (distance) C4'-P energy: -27.040
bonds (distance) P-C4' energy: -31.618
flat angles C4'-P-C4' energy: -35.250
flat angles P-C4'-P energy: -23.175
tors. eta vs tors. theta energy: -38.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -479.066528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.066528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.066528 (E_RNA)
where:
Base-Base interactions energy: -321.795
where: short stacking energy: -144.225
Base-Backbone interact. energy: 0.008
local terms energy: -157.280327
where:
bonds (distance) C4'-P energy: -31.357
bonds (distance) P-C4' energy: -33.925
flat angles C4'-P-C4' energy: -34.501
flat angles P-C4'-P energy: -17.331
tors. eta vs tors. theta energy: -40.166
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: 6
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -377.471093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.471093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.471093 (E_RNA)
where:
Base-Base interactions energy: -236.853
where: short stacking energy: -109.128
Base-Backbone interact. energy: 1.336
local terms energy: -141.953530
where:
bonds (distance) C4'-P energy: -38.263
bonds (distance) P-C4' energy: -28.882
flat angles C4'-P-C4' energy: -32.261
flat angles P-C4'-P energy: -18.939
tors. eta vs tors. theta energy: -23.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -365.408584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.408584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.408584 (E_RNA)
where:
Base-Base interactions energy: -231.500
where: short stacking energy: -107.056
Base-Backbone interact. energy: -0.142
local terms energy: -133.767078
where:
bonds (distance) C4'-P energy: -32.510
bonds (distance) P-C4' energy: -27.302
flat angles C4'-P-C4' energy: -24.244
flat angles P-C4'-P energy: -18.729
tors. eta vs tors. theta energy: -30.983
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: 9, replica: 7
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -229.996556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.996556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.996556 (E_RNA)
where:
Base-Base interactions energy: -129.117
where: short stacking energy: -66.932
Base-Backbone interact. energy: -0.452
local terms energy: -100.427429
where:
bonds (distance) C4'-P energy: -34.998
bonds (distance) P-C4' energy: -30.506
flat angles C4'-P-C4' energy: -25.031
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -2.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -172.914905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.914905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.914905 (E_RNA)
where:
Base-Base interactions energy: -71.458
where: short stacking energy: -54.883
Base-Backbone interact. energy: -1.853
local terms energy: -99.604032
where:
bonds (distance) C4'-P energy: -24.880
bonds (distance) P-C4' energy: -36.530
flat angles C4'-P-C4' energy: -24.775
flat angles P-C4'-P energy: -19.611
tors. eta vs tors. theta energy: 6.193
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: 1, replica: 9
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -611.470471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.470471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.470471 (E_RNA)
where:
Base-Base interactions energy: -412.506
where: short stacking energy: -185.307
Base-Backbone interact. energy: -1.601
local terms energy: -197.363945
where:
bonds (distance) C4'-P energy: -34.937
bonds (distance) P-C4' energy: -40.961
flat angles C4'-P-C4' energy: -39.952
flat angles P-C4'-P energy: -24.043
tors. eta vs tors. theta energy: -57.471
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: 2
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -595.850970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.850970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.850970 (E_RNA)
where:
Base-Base interactions energy: -420.282
where: short stacking energy: -178.088
Base-Backbone interact. energy: -1.026
local terms energy: -174.542222
where:
bonds (distance) C4'-P energy: -33.855
bonds (distance) P-C4' energy: -25.179
flat angles C4'-P-C4' energy: -37.909
flat angles P-C4'-P energy: -29.050
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: 1
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -584.862598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.862598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.862598 (E_RNA)
where:
Base-Base interactions energy: -425.044
where: short stacking energy: -179.111
Base-Backbone interact. energy: -1.547
local terms energy: -158.272156
where:
bonds (distance) C4'-P energy: -27.517
bonds (distance) P-C4' energy: -26.229
flat angles C4'-P-C4' energy: -36.810
flat angles P-C4'-P energy: -27.361
tors. eta vs tors. theta energy: -40.354
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: 4
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -549.319054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.319054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.319054 (E_RNA)
where:
Base-Base interactions energy: -375.702
where: short stacking energy: -156.671
Base-Backbone interact. energy: 0.573
local terms energy: -174.189944
where:
bonds (distance) C4'-P energy: -32.254
bonds (distance) P-C4' energy: -36.172
flat angles C4'-P-C4' energy: -40.682
flat angles P-C4'-P energy: -24.437
tors. eta vs tors. theta energy: -40.645
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: 3
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -522.862440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.862440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.862440 (E_RNA)
where:
Base-Base interactions energy: -358.251
where: short stacking energy: -161.804
Base-Backbone interact. energy: -1.814
local terms energy: -162.797750
where:
bonds (distance) C4'-P energy: -32.358
bonds (distance) P-C4' energy: -27.614
flat angles C4'-P-C4' energy: -30.329
flat angles P-C4'-P energy: -26.943
tors. eta vs tors. theta energy: -45.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -458.462645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.462645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.462645 (E_RNA)
where:
Base-Base interactions energy: -304.756
where: short stacking energy: -142.637
Base-Backbone interact. energy: -0.288
local terms energy: -153.418222
where:
bonds (distance) C4'-P energy: -23.633
bonds (distance) P-C4' energy: -35.756
flat angles C4'-P-C4' energy: -36.298
flat angles P-C4'-P energy: -21.914
tors. eta vs tors. theta energy: -35.817
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: 6
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -413.718341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.718341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.718341 (E_RNA)
where:
Base-Base interactions energy: -260.783
where: short stacking energy: -121.917
Base-Backbone interact. energy: -0.144
local terms energy: -152.791219
where:
bonds (distance) C4'-P energy: -34.394
bonds (distance) P-C4' energy: -35.932
flat angles C4'-P-C4' energy: -29.237
flat angles P-C4'-P energy: -22.801
tors. eta vs tors. theta energy: -30.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -341.502897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.502897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.502897 (E_RNA)
where:
Base-Base interactions energy: -210.508
where: short stacking energy: -101.687
Base-Backbone interact. energy: -0.386
local terms energy: -130.609442
where:
bonds (distance) C4'-P energy: -33.252
bonds (distance) P-C4' energy: -30.208
flat angles C4'-P-C4' energy: -28.703
flat angles P-C4'-P energy: -15.072
tors. eta vs tors. theta energy: -23.374
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: 7
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -231.524488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.524488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.524488 (E_RNA)
where:
Base-Base interactions energy: -123.117
where: short stacking energy: -58.461
Base-Backbone interact. energy: -1.999
local terms energy: -106.408021
where:
bonds (distance) C4'-P energy: -29.699
bonds (distance) P-C4' energy: -30.930
flat angles C4'-P-C4' energy: -27.079
flat angles P-C4'-P energy: -19.573
tors. eta vs tors. theta energy: 0.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -167.129192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.129192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.129192 (E_RNA)
where:
Base-Base interactions energy: -49.117
where: short stacking energy: -45.588
Base-Backbone interact. energy: -0.462
local terms energy: -117.550101
where:
bonds (distance) C4'-P energy: -23.900
bonds (distance) P-C4' energy: -37.930
flat angles C4'-P-C4' energy: -34.524
flat angles P-C4'-P energy: -24.177
tors. eta vs tors. theta energy: 2.981
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: 9
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -611.112936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.112936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.112936 (E_RNA)
where:
Base-Base interactions energy: -416.120
where: short stacking energy: -194.294
Base-Backbone interact. energy: 0.122
local terms energy: -195.115065
where:
bonds (distance) C4'-P energy: -32.914
bonds (distance) P-C4' energy: -37.690
flat angles C4'-P-C4' energy: -41.501
flat angles P-C4'-P energy: -24.927
tors. eta vs tors. theta energy: -58.083
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: 2, replica: 2
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -595.067512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.067512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.067512 (E_RNA)
where:
Base-Base interactions energy: -410.254
where: short stacking energy: -171.907
Base-Backbone interact. energy: -1.935
local terms energy: -182.878824
where:
bonds (distance) C4'-P energy: -30.619
bonds (distance) P-C4' energy: -34.392
flat angles C4'-P-C4' energy: -36.516
flat angles P-C4'-P energy: -29.208
tors. eta vs tors. theta energy: -52.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -583.597745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.597745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.597745 (E_RNA)
where:
Base-Base interactions energy: -414.655
where: short stacking energy: -165.770
Base-Backbone interact. energy: -2.207
local terms energy: -166.735737
where:
bonds (distance) C4'-P energy: -36.277
bonds (distance) P-C4' energy: -28.228
flat angles C4'-P-C4' energy: -33.214
flat angles P-C4'-P energy: -25.231
tors. eta vs tors. theta energy: -43.786
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: 4
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -539.914178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.914178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.914178 (E_RNA)
where:
Base-Base interactions energy: -383.501
where: short stacking energy: -159.205
Base-Backbone interact. energy: -0.420
local terms energy: -155.992947
where:
bonds (distance) C4'-P energy: -31.571
bonds (distance) P-C4' energy: -26.943
flat angles C4'-P-C4' energy: -37.098
flat angles P-C4'-P energy: -15.840
tors. eta vs tors. theta energy: -44.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -521.567148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.567148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.567148 (E_RNA)
where:
Base-Base interactions energy: -365.103
where: short stacking energy: -167.026
Base-Backbone interact. energy: -0.288
local terms energy: -156.175862
where:
bonds (distance) C4'-P energy: -35.288
bonds (distance) P-C4' energy: -29.102
flat angles C4'-P-C4' energy: -31.616
flat angles P-C4'-P energy: -16.960
tors. eta vs tors. theta energy: -43.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -475.145335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.145335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.145335 (E_RNA)
where:
Base-Base interactions energy: -314.796
where: short stacking energy: -141.805
Base-Backbone interact. energy: -0.430
local terms energy: -159.919585
where:
bonds (distance) C4'-P energy: -34.405
bonds (distance) P-C4' energy: -29.723
flat angles C4'-P-C4' energy: -39.574
flat angles P-C4'-P energy: -22.794
tors. eta vs tors. theta energy: -33.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -391.119435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.119435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.119435 (E_RNA)
where:
Base-Base interactions energy: -250.282
where: short stacking energy: -110.518
Base-Backbone interact. energy: 0.797
local terms energy: -141.633909
where:
bonds (distance) C4'-P energy: -29.240
bonds (distance) P-C4' energy: -32.850
flat angles C4'-P-C4' energy: -28.296
flat angles P-C4'-P energy: -21.935
tors. eta vs tors. theta energy: -29.313
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: 8, replica: 5
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -346.759026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.759026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.759026 (E_RNA)
where:
Base-Base interactions energy: -221.907
where: short stacking energy: -99.124
Base-Backbone interact. energy: -0.271
local terms energy: -124.580860
where:
bonds (distance) C4'-P energy: -25.107
bonds (distance) P-C4' energy: -32.506
flat angles C4'-P-C4' energy: -30.072
flat angles P-C4'-P energy: -15.691
tors. eta vs tors. theta energy: -21.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -254.102775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.102775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.102775 (E_RNA)
where:
Base-Base interactions energy: -142.475
where: short stacking energy: -84.514
Base-Backbone interact. energy: 1.618
local terms energy: -113.245436
where:
bonds (distance) C4'-P energy: -34.332
bonds (distance) P-C4' energy: -31.875
flat angles C4'-P-C4' energy: -23.955
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -10.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -164.215002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.215002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.215002 (E_RNA)
where:
Base-Base interactions energy: -68.550
where: short stacking energy: -63.281
Base-Backbone interact. energy: 0.551
local terms energy: -96.216406
where:
bonds (distance) C4'-P energy: -34.303
bonds (distance) P-C4' energy: -21.603
flat angles C4'-P-C4' energy: -23.327
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -4.858
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: 9
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -604.681642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.681642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.681642 (E_RNA)
where:
Base-Base interactions energy: -411.554
where: short stacking energy: -188.867
Base-Backbone interact. energy: -0.458
local terms energy: -192.669183
where:
bonds (distance) C4'-P energy: -37.477
bonds (distance) P-C4' energy: -31.903
flat angles C4'-P-C4' energy: -42.775
flat angles P-C4'-P energy: -27.484
tors. eta vs tors. theta energy: -53.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -591.800544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.800544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.800544 (E_RNA)
where:
Base-Base interactions energy: -428.695
where: short stacking energy: -177.665
Base-Backbone interact. energy: -0.328
local terms energy: -162.777797
where:
bonds (distance) C4'-P energy: -33.185
bonds (distance) P-C4' energy: -30.258
flat angles C4'-P-C4' energy: -33.567
flat angles P-C4'-P energy: -23.440
tors. eta vs tors. theta energy: -42.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -599.929273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.929273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.929273 (E_RNA)
where:
Base-Base interactions energy: -418.723
where: short stacking energy: -179.382
Base-Backbone interact. energy: -1.874
local terms energy: -179.332808
where:
bonds (distance) C4'-P energy: -28.462
bonds (distance) P-C4' energy: -33.477
flat angles C4'-P-C4' energy: -38.077
flat angles P-C4'-P energy: -27.620
tors. eta vs tors. theta energy: -51.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -546.728198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.728198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.728198 (E_RNA)
where:
Base-Base interactions energy: -385.349
where: short stacking energy: -165.712
Base-Backbone interact. energy: -0.639
local terms energy: -160.740144
where:
bonds (distance) C4'-P energy: -28.084
bonds (distance) P-C4' energy: -29.573
flat angles C4'-P-C4' energy: -38.273
flat angles P-C4'-P energy: -20.569
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: 5, replica: 3
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -511.861023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.861023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.861023 (E_RNA)
where:
Base-Base interactions energy: -351.541
where: short stacking energy: -159.959
Base-Backbone interact. energy: -0.088
local terms energy: -160.232315
where:
bonds (distance) C4'-P energy: -23.972
bonds (distance) P-C4' energy: -34.098
flat angles C4'-P-C4' energy: -33.082
flat angles P-C4'-P energy: -24.682
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: 6, replica: 8
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -488.420289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.420289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.420289 (E_RNA)
where:
Base-Base interactions energy: -327.902
where: short stacking energy: -152.720
Base-Backbone interact. energy: -0.771
local terms energy: -159.747762
where:
bonds (distance) C4'-P energy: -27.677
bonds (distance) P-C4' energy: -34.740
flat angles C4'-P-C4' energy: -36.042
flat angles P-C4'-P energy: -16.894
tors. eta vs tors. theta energy: -44.396
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: 6
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -361.593838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.593838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.593838 (E_RNA)
where:
Base-Base interactions energy: -222.260
where: short stacking energy: -107.064
Base-Backbone interact. energy: -1.826
local terms energy: -137.507504
where:
bonds (distance) C4'-P energy: -35.183
bonds (distance) P-C4' energy: -36.669
flat angles C4'-P-C4' energy: -27.882
flat angles P-C4'-P energy: -17.893
tors. eta vs tors. theta energy: -19.880
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: 5
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -347.754995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.754995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.754995 (E_RNA)
where:
Base-Base interactions energy: -228.969
where: short stacking energy: -101.239
Base-Backbone interact. energy: -0.913
local terms energy: -117.872747
where:
bonds (distance) C4'-P energy: -27.332
bonds (distance) P-C4' energy: -25.587
flat angles C4'-P-C4' energy: -25.829
flat angles P-C4'-P energy: -23.756
tors. eta vs tors. theta energy: -15.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -235.545661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.545661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.545661 (E_RNA)
where:
Base-Base interactions energy: -117.778
where: short stacking energy: -66.563
Base-Backbone interact. energy: -1.485
local terms energy: -116.282369
where:
bonds (distance) C4'-P energy: -27.668
bonds (distance) P-C4' energy: -30.532
flat angles C4'-P-C4' energy: -32.394
flat angles P-C4'-P energy: -18.893
tors. eta vs tors. theta energy: -6.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -154.952542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.952542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.952542 (E_RNA)
where:
Base-Base interactions energy: -61.961
where: short stacking energy: -60.230
Base-Backbone interact. energy: 2.873
local terms energy: -95.864598
where:
bonds (distance) C4'-P energy: -28.983
bonds (distance) P-C4' energy: -28.505
flat angles C4'-P-C4' energy: -20.620
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -6.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -614.712781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.712781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.712781 (E_RNA)
where:
Base-Base interactions energy: -428.471
where: short stacking energy: -191.495
Base-Backbone interact. energy: -0.082
local terms energy: -186.159992
where:
bonds (distance) C4'-P energy: -35.076
bonds (distance) P-C4' energy: -26.963
flat angles C4'-P-C4' energy: -41.607
flat angles P-C4'-P energy: -27.539
tors. eta vs tors. theta energy: -54.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -589.064264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.064264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.064264 (E_RNA)
where:
Base-Base interactions energy: -412.525
where: short stacking energy: -175.415
Base-Backbone interact. energy: -2.026
local terms energy: -174.513871
where:
bonds (distance) C4'-P energy: -30.290
bonds (distance) P-C4' energy: -37.053
flat angles C4'-P-C4' energy: -31.844
flat angles P-C4'-P energy: -26.549
tors. eta vs tors. theta energy: -48.778
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: 2
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -584.072473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.072473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.072473 (E_RNA)
where:
Base-Base interactions energy: -412.879
where: short stacking energy: -154.259
Base-Backbone interact. energy: -2.583
local terms energy: -168.609946
where:
bonds (distance) C4'-P energy: -34.837
bonds (distance) P-C4' energy: -28.039
flat angles C4'-P-C4' energy: -35.391
flat angles P-C4'-P energy: -23.432
tors. eta vs tors. theta energy: -46.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -539.200936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.200936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.200936 (E_RNA)
where:
Base-Base interactions energy: -383.728
where: short stacking energy: -159.909
Base-Backbone interact. energy: -0.713
local terms energy: -154.759453
where:
bonds (distance) C4'-P energy: -30.259
bonds (distance) P-C4' energy: -29.643
flat angles C4'-P-C4' energy: -38.035
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -45.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -480.753410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.753410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.753410 (E_RNA)
where:
Base-Base interactions energy: -319.719
where: short stacking energy: -132.776
Base-Backbone interact. energy: -0.316
local terms energy: -160.718154
where:
bonds (distance) C4'-P energy: -28.867
bonds (distance) P-C4' energy: -37.355
flat angles C4'-P-C4' energy: -36.747
flat angles P-C4'-P energy: -17.998
tors. eta vs tors. theta energy: -39.751
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: 6, replica: 3
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -495.144110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.144110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.144110 (E_RNA)
where:
Base-Base interactions energy: -337.031
where: short stacking energy: -150.898
Base-Backbone interact. energy: 0.682
local terms energy: -158.794718
where:
bonds (distance) C4'-P energy: -38.162
bonds (distance) P-C4' energy: -29.903
flat angles C4'-P-C4' energy: -31.781
flat angles P-C4'-P energy: -22.266
tors. eta vs tors. theta energy: -36.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -406.761482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.761482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.761482 (E_RNA)
where:
Base-Base interactions energy: -262.936
where: short stacking energy: -126.340
Base-Backbone interact. energy: -0.862
local terms energy: -142.963901
where:
bonds (distance) C4'-P energy: -22.610
bonds (distance) P-C4' energy: -32.821
flat angles C4'-P-C4' energy: -32.603
flat angles P-C4'-P energy: -21.791
tors. eta vs tors. theta energy: -33.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -355.381764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.381764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.381764 (E_RNA)
where:
Base-Base interactions energy: -229.505
where: short stacking energy: -99.384
Base-Backbone interact. energy: -1.221
local terms energy: -124.655917
where:
bonds (distance) C4'-P energy: -32.544
bonds (distance) P-C4' energy: -32.196
flat angles C4'-P-C4' energy: -25.884
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -23.866
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: 7
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -231.103013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.103013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.103013 (E_RNA)
where:
Base-Base interactions energy: -131.517
where: short stacking energy: -75.252
Base-Backbone interact. energy: -0.247
local terms energy: -99.339131
where:
bonds (distance) C4'-P energy: -28.309
bonds (distance) P-C4' energy: -28.281
flat angles C4'-P-C4' energy: -22.254
flat angles P-C4'-P energy: -14.737
tors. eta vs tors. theta energy: -5.758
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: 10
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -169.834257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.834257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.834257 (E_RNA)
where:
Base-Base interactions energy: -81.250
where: short stacking energy: -52.979
Base-Backbone interact. energy: 0.166
local terms energy: -88.750174
where:
bonds (distance) C4'-P energy: -32.788
bonds (distance) P-C4' energy: -24.296
flat angles C4'-P-C4' energy: -19.633
flat angles P-C4'-P energy: -16.309
tors. eta vs tors. theta energy: 4.275
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: 1, replica: 9
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -611.174202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.174202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.174202 (E_RNA)
where:
Base-Base interactions energy: -418.793
where: short stacking energy: -188.546
Base-Backbone interact. energy: -0.403
local terms energy: -191.978920
where:
bonds (distance) C4'-P energy: -36.182
bonds (distance) P-C4' energy: -36.922
flat angles C4'-P-C4' energy: -37.543
flat angles P-C4'-P energy: -28.797
tors. eta vs tors. theta energy: -52.535
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: 1
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -601.558866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.558866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.558866 (E_RNA)
where:
Base-Base interactions energy: -422.640
where: short stacking energy: -176.075
Base-Backbone interact. energy: -1.455
local terms energy: -177.463442
where:
bonds (distance) C4'-P energy: -30.535
bonds (distance) P-C4' energy: -36.973
flat angles C4'-P-C4' energy: -36.696
flat angles P-C4'-P energy: -25.166
tors. eta vs tors. theta energy: -48.093
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: 2
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -588.878965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.878965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.878965 (E_RNA)
where:
Base-Base interactions energy: -411.241
where: short stacking energy: -173.754
Base-Backbone interact. energy: -1.133
local terms energy: -176.504908
where:
bonds (distance) C4'-P energy: -37.204
bonds (distance) P-C4' energy: -31.425
flat angles C4'-P-C4' energy: -31.777
flat angles P-C4'-P energy: -26.345
tors. eta vs tors. theta energy: -49.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -533.228632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.228632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.228632 (E_RNA)
where:
Base-Base interactions energy: -366.082
where: short stacking energy: -150.549
Base-Backbone interact. energy: -0.310
local terms energy: -166.836197
where:
bonds (distance) C4'-P energy: -38.572
bonds (distance) P-C4' energy: -24.847
flat angles C4'-P-C4' energy: -39.017
flat angles P-C4'-P energy: -25.324
tors. eta vs tors. theta energy: -39.076
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: 8
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -521.559910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.559910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.559910 (E_RNA)
where:
Base-Base interactions energy: -370.073
where: short stacking energy: -155.529
Base-Backbone interact. energy: -1.409
local terms energy: -150.077219
where:
bonds (distance) C4'-P energy: -26.993
bonds (distance) P-C4' energy: -26.340
flat angles C4'-P-C4' energy: -38.539
flat angles P-C4'-P energy: -19.081
tors. eta vs tors. theta energy: -39.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -476.641781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.641781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.641781 (E_RNA)
where:
Base-Base interactions energy: -317.567
where: short stacking energy: -138.896
Base-Backbone interact. energy: -0.813
local terms energy: -158.262190
where:
bonds (distance) C4'-P energy: -30.941
bonds (distance) P-C4' energy: -30.933
flat angles C4'-P-C4' energy: -32.735
flat angles P-C4'-P energy: -26.808
tors. eta vs tors. theta energy: -36.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -376.551857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.551857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.551857 (E_RNA)
where:
Base-Base interactions energy: -231.815
where: short stacking energy: -102.447
Base-Backbone interact. energy: -0.745
local terms energy: -143.992458
where:
bonds (distance) C4'-P energy: -30.571
bonds (distance) P-C4' energy: -34.305
flat angles C4'-P-C4' energy: -31.448
flat angles P-C4'-P energy: -21.375
tors. eta vs tors. theta energy: -26.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -373.953967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.953967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.953967 (E_RNA)
where:
Base-Base interactions energy: -247.217
where: short stacking energy: -116.922
Base-Backbone interact. energy: 0.320
local terms energy: -127.057733
where:
bonds (distance) C4'-P energy: -22.755
bonds (distance) P-C4' energy: -32.881
flat angles C4'-P-C4' energy: -23.017
flat angles P-C4'-P energy: -25.156
tors. eta vs tors. theta energy: -23.248
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: 7
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -156.128211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.128211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.128211 (E_RNA)
where:
Base-Base interactions energy: -65.058
where: short stacking energy: -56.380
Base-Backbone interact. energy: 1.538
local terms energy: -92.608483
where:
bonds (distance) C4'-P energy: -31.529
bonds (distance) P-C4' energy: -28.525
flat angles C4'-P-C4' energy: -23.274
flat angles P-C4'-P energy: -3.056
tors. eta vs tors. theta energy: -6.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -172.882317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.882317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.882317 (E_RNA)
where:
Base-Base interactions energy: -65.127
where: short stacking energy: -42.605
Base-Backbone interact. energy: 3.983
local terms energy: -111.738178
where:
bonds (distance) C4'-P energy: -26.537
bonds (distance) P-C4' energy: -30.534
flat angles C4'-P-C4' energy: -33.727
flat angles P-C4'-P energy: -17.382
tors. eta vs tors. theta energy: -3.559
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: 9
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -612.374134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.374134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.374134 (E_RNA)
where:
Base-Base interactions energy: -419.975
where: short stacking energy: -194.182
Base-Backbone interact. energy: -0.767
local terms energy: -191.632508
where:
bonds (distance) C4'-P energy: -33.122
bonds (distance) P-C4' energy: -36.502
flat angles C4'-P-C4' energy: -43.218
flat angles P-C4'-P energy: -25.608
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: 2, replica: 1
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -593.502291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.502291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.502291 (E_RNA)
where:
Base-Base interactions energy: -412.562
where: short stacking energy: -168.892
Base-Backbone interact. energy: -2.594
local terms energy: -178.345705
where:
bonds (distance) C4'-P energy: -35.036
bonds (distance) P-C4' energy: -35.937
flat angles C4'-P-C4' energy: -37.249
flat angles P-C4'-P energy: -24.785
tors. eta vs tors. theta energy: -45.339
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: 4
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -535.418855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.418855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.418855 (E_RNA)
where:
Base-Base interactions energy: -364.614
where: short stacking energy: -158.368
Base-Backbone interact. energy: 1.603
local terms energy: -172.408065
where:
bonds (distance) C4'-P energy: -33.717
bonds (distance) P-C4' energy: -32.450
flat angles C4'-P-C4' energy: -36.121
flat angles P-C4'-P energy: -27.302
tors. eta vs tors. theta energy: -42.819
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: 2
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -570.525149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.525149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.525149 (E_RNA)
where:
Base-Base interactions energy: -395.992
where: short stacking energy: -145.506
Base-Backbone interact. energy: 0.976
local terms energy: -175.509543
where:
bonds (distance) C4'-P energy: -33.808
bonds (distance) P-C4' energy: -35.322
flat angles C4'-P-C4' energy: -35.241
flat angles P-C4'-P energy: -25.932
tors. eta vs tors. theta energy: -45.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -516.854828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.854828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.854828 (E_RNA)
where:
Base-Base interactions energy: -359.880
where: short stacking energy: -153.660
Base-Backbone interact. energy: -2.037
local terms energy: -154.937303
where:
bonds (distance) C4'-P energy: -31.879
bonds (distance) P-C4' energy: -23.652
flat angles C4'-P-C4' energy: -32.854
flat angles P-C4'-P energy: -21.456
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: 3
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -475.431552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.431552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.431552 (E_RNA)
where:
Base-Base interactions energy: -311.171
where: short stacking energy: -134.682
Base-Backbone interact. energy: -0.136
local terms energy: -164.124646
where:
bonds (distance) C4'-P energy: -36.636
bonds (distance) P-C4' energy: -34.195
flat angles C4'-P-C4' energy: -36.008
flat angles P-C4'-P energy: -19.594
tors. eta vs tors. theta energy: -37.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -394.387603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.387603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.387603 (E_RNA)
where:
Base-Base interactions energy: -242.171
where: short stacking energy: -106.933
Base-Backbone interact. energy: -0.578
local terms energy: -151.638579
where:
bonds (distance) C4'-P energy: -29.926
bonds (distance) P-C4' energy: -37.500
flat angles C4'-P-C4' energy: -33.788
flat angles P-C4'-P energy: -20.473
tors. eta vs tors. theta energy: -29.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -353.749458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.749458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.749458 (E_RNA)
where:
Base-Base interactions energy: -219.602
where: short stacking energy: -107.630
Base-Backbone interact. energy: -0.587
local terms energy: -133.560893
where:
bonds (distance) C4'-P energy: -30.657
bonds (distance) P-C4' energy: -24.727
flat angles C4'-P-C4' energy: -32.466
flat angles P-C4'-P energy: -18.520
tors. eta vs tors. theta energy: -27.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -184.902360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.902360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.902360 (E_RNA)
where:
Base-Base interactions energy: -76.980
where: short stacking energy: -60.624
Base-Backbone interact. energy: -0.659
local terms energy: -107.262936
where:
bonds (distance) C4'-P energy: -25.221
bonds (distance) P-C4' energy: -32.383
flat angles C4'-P-C4' energy: -28.856
flat angles P-C4'-P energy: -18.976
tors. eta vs tors. theta energy: -1.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -163.730164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.730164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.730164 (E_RNA)
where:
Base-Base interactions energy: -56.099
where: short stacking energy: -45.824
Base-Backbone interact. energy: -0.290
local terms energy: -107.341530
where:
bonds (distance) C4'-P energy: -25.596
bonds (distance) P-C4' energy: -28.315
flat angles C4'-P-C4' energy: -32.704
flat angles P-C4'-P energy: -20.519
tors. eta vs tors. theta energy: -0.208
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: 9
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -607.192838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.192838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.192838 (E_RNA)
where:
Base-Base interactions energy: -413.751
where: short stacking energy: -182.111
Base-Backbone interact. energy: -0.539
local terms energy: -192.902742
where:
bonds (distance) C4'-P energy: -29.575
bonds (distance) P-C4' energy: -41.837
flat angles C4'-P-C4' energy: -38.391
flat angles P-C4'-P energy: -28.421
tors. eta vs tors. theta energy: -54.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -596.600541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.600541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.600541 (E_RNA)
where:
Base-Base interactions energy: -415.742
where: short stacking energy: -171.666
Base-Backbone interact. energy: 0.465
local terms energy: -181.324428
where:
bonds (distance) C4'-P energy: -39.996
bonds (distance) P-C4' energy: -33.892
flat angles C4'-P-C4' energy: -37.742
flat angles P-C4'-P energy: -24.460
tors. eta vs tors. theta energy: -45.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -525.796630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.796630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.796630 (E_RNA)
where:
Base-Base interactions energy: -361.774
where: short stacking energy: -155.676
Base-Backbone interact. energy: -0.304
local terms energy: -163.718127
where:
bonds (distance) C4'-P energy: -34.189
bonds (distance) P-C4' energy: -31.323
flat angles C4'-P-C4' energy: -36.598
flat angles P-C4'-P energy: -19.887
tors. eta vs tors. theta energy: -41.722
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: 2
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -569.214047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.214047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.214047 (E_RNA)
where:
Base-Base interactions energy: -399.931
where: short stacking energy: -163.350
Base-Backbone interact. energy: -1.312
local terms energy: -167.970977
where:
bonds (distance) C4'-P energy: -29.658
bonds (distance) P-C4' energy: -34.113
flat angles C4'-P-C4' energy: -30.578
flat angles P-C4'-P energy: -24.542
tors. eta vs tors. theta energy: -49.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -533.502453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.502453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.502453 (E_RNA)
where:
Base-Base interactions energy: -377.060
where: short stacking energy: -154.564
Base-Backbone interact. energy: -0.570
local terms energy: -155.872241
where:
bonds (distance) C4'-P energy: -29.303
bonds (distance) P-C4' energy: -25.736
flat angles C4'-P-C4' energy: -36.129
flat angles P-C4'-P energy: -17.769
tors. eta vs tors. theta energy: -46.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -472.909021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.909021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.909021 (E_RNA)
where:
Base-Base interactions energy: -326.350
where: short stacking energy: -135.620
Base-Backbone interact. energy: -0.790
local terms energy: -145.768550
where:
bonds (distance) C4'-P energy: -27.546
bonds (distance) P-C4' energy: -25.035
flat angles C4'-P-C4' energy: -31.013
flat angles P-C4'-P energy: -24.766
tors. eta vs tors. theta energy: -37.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -385.501395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.501395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.501395 (E_RNA)
where:
Base-Base interactions energy: -239.027
where: short stacking energy: -101.434
Base-Backbone interact. energy: -0.319
local terms energy: -146.155552
where:
bonds (distance) C4'-P energy: -25.921
bonds (distance) P-C4' energy: -34.731
flat angles C4'-P-C4' energy: -29.410
flat angles P-C4'-P energy: -27.952
tors. eta vs tors. theta energy: -28.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -314.318484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.318484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.318484 (E_RNA)
where:
Base-Base interactions energy: -183.240
where: short stacking energy: -86.584
Base-Backbone interact. energy: -0.279
local terms energy: -130.798934
where:
bonds (distance) C4'-P energy: -29.852
bonds (distance) P-C4' energy: -33.539
flat angles C4'-P-C4' energy: -35.764
flat angles P-C4'-P energy: -18.927
tors. eta vs tors. theta energy: -12.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -233.154548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.154548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.154548 (E_RNA)
where:
Base-Base interactions energy: -116.866
where: short stacking energy: -64.017
Base-Backbone interact. energy: -0.194
local terms energy: -116.094071
where:
bonds (distance) C4'-P energy: -34.764
bonds (distance) P-C4' energy: -33.014
flat angles C4'-P-C4' energy: -24.061
flat angles P-C4'-P energy: -17.933
tors. eta vs tors. theta energy: -6.322
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: 7
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -158.078906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.078906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.078906 (E_RNA)
where:
Base-Base interactions energy: -54.463
where: short stacking energy: -54.463
Base-Backbone interact. energy: -0.271
local terms energy: -103.345701
where:
bonds (distance) C4'-P energy: -32.002
bonds (distance) P-C4' energy: -32.753
flat angles C4'-P-C4' energy: -21.499
flat angles P-C4'-P energy: -13.927
tors. eta vs tors. theta energy: -3.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -604.331999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.331999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.331999 (E_RNA)
where:
Base-Base interactions energy: -418.905
where: short stacking energy: -180.189
Base-Backbone interact. energy: -0.627
local terms energy: -184.800697
where:
bonds (distance) C4'-P energy: -32.124
bonds (distance) P-C4' energy: -37.997
flat angles C4'-P-C4' energy: -36.491
flat angles P-C4'-P energy: -29.682
tors. eta vs tors. theta energy: -48.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -591.587541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.587541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.587541 (E_RNA)
where:
Base-Base interactions energy: -428.360
where: short stacking energy: -177.324
Base-Backbone interact. energy: -2.092
local terms energy: -161.134699
where:
bonds (distance) C4'-P energy: -31.323
bonds (distance) P-C4' energy: -27.018
flat angles C4'-P-C4' energy: -35.039
flat angles P-C4'-P energy: -23.949
tors. eta vs tors. theta energy: -43.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -588.223339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.223339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.223339 (E_RNA)
where:
Base-Base interactions energy: -418.942
where: short stacking energy: -181.049
Base-Backbone interact. energy: 0.746
local terms energy: -170.026855
where:
bonds (distance) C4'-P energy: -25.541
bonds (distance) P-C4' energy: -31.126
flat angles C4'-P-C4' energy: -36.615
flat angles P-C4'-P energy: -26.474
tors. eta vs tors. theta energy: -50.271
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: 4
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -543.172735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.172735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.172735 (E_RNA)
where:
Base-Base interactions energy: -372.013
where: short stacking energy: -161.087
Base-Backbone interact. energy: -0.794
local terms energy: -170.365645
where:
bonds (distance) C4'-P energy: -32.293
bonds (distance) P-C4' energy: -34.009
flat angles C4'-P-C4' energy: -37.550
flat angles P-C4'-P energy: -27.591
tors. eta vs tors. theta energy: -38.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -530.114477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.114477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.114477 (E_RNA)
where:
Base-Base interactions energy: -363.589
where: short stacking energy: -154.118
Base-Backbone interact. energy: -0.715
local terms energy: -165.810411
where:
bonds (distance) C4'-P energy: -31.267
bonds (distance) P-C4' energy: -26.368
flat angles C4'-P-C4' energy: -34.568
flat angles P-C4'-P energy: -26.521
tors. eta vs tors. theta energy: -47.086
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: 3
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -507.329900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.329900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.329900 (E_RNA)
where:
Base-Base interactions energy: -358.047
where: short stacking energy: -150.997
Base-Backbone interact. energy: 0.304
local terms energy: -149.586827
where:
bonds (distance) C4'-P energy: -22.401
bonds (distance) P-C4' energy: -33.982
flat angles C4'-P-C4' energy: -27.789
flat angles P-C4'-P energy: -20.590
tors. eta vs tors. theta energy: -44.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -361.000605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.000605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.000605 (E_RNA)
where:
Base-Base interactions energy: -242.218
where: short stacking energy: -114.786
Base-Backbone interact. energy: -0.317
local terms energy: -118.466035
where:
bonds (distance) C4'-P energy: -19.896
bonds (distance) P-C4' energy: -23.115
flat angles C4'-P-C4' energy: -32.194
flat angles P-C4'-P energy: -20.242
tors. eta vs tors. theta energy: -23.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -321.995696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.995696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.995696 (E_RNA)
where:
Base-Base interactions energy: -220.594
where: short stacking energy: -96.229
Base-Backbone interact. energy: 0.070
local terms energy: -101.471632
where:
bonds (distance) C4'-P energy: -23.542
bonds (distance) P-C4' energy: -34.544
flat angles C4'-P-C4' energy: -32.312
flat angles P-C4'-P energy: -4.198
tors. eta vs tors. theta energy: -6.875
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: 10
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -244.592042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.592042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.592042 (E_RNA)
where:
Base-Base interactions energy: -140.084
where: short stacking energy: -77.281
Base-Backbone interact. energy: 0.321
local terms energy: -104.829006
where:
bonds (distance) C4'-P energy: -25.644
bonds (distance) P-C4' energy: -37.115
flat angles C4'-P-C4' energy: -22.696
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -7.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -161.191106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.191106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.191106 (E_RNA)
where:
Base-Base interactions energy: -50.207
where: short stacking energy: -48.361
Base-Backbone interact. energy: -0.435
local terms energy: -110.548685
where:
bonds (distance) C4'-P energy: -31.029
bonds (distance) P-C4' energy: -28.437
flat angles C4'-P-C4' energy: -28.800
flat angles P-C4'-P energy: -25.243
tors. eta vs tors. theta energy: 2.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -604.951492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.951492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.951492 (E_RNA)
where:
Base-Base interactions energy: -420.289
where: short stacking energy: -192.581
Base-Backbone interact. energy: -0.055
local terms energy: -184.607386
where:
bonds (distance) C4'-P energy: -32.183
bonds (distance) P-C4' energy: -30.055
flat angles C4'-P-C4' energy: -39.955
flat angles P-C4'-P energy: -30.573
tors. eta vs tors. theta energy: -51.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -597.380211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.380211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.380211 (E_RNA)
where:
Base-Base interactions energy: -425.364
where: short stacking energy: -174.463
Base-Backbone interact. energy: -1.091
local terms energy: -170.925071
where:
bonds (distance) C4'-P energy: -36.025
bonds (distance) P-C4' energy: -32.799
flat angles C4'-P-C4' energy: -37.385
flat angles P-C4'-P energy: -21.950
tors. eta vs tors. theta energy: -42.765
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: 3, replica: 1
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -585.025563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.025563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.025563 (E_RNA)
where:
Base-Base interactions energy: -412.325
where: short stacking energy: -163.613
Base-Backbone interact. energy: -1.463
local terms energy: -171.237383
where:
bonds (distance) C4'-P energy: -31.935
bonds (distance) P-C4' energy: -37.627
flat angles C4'-P-C4' energy: -37.606
flat angles P-C4'-P energy: -21.751
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: 4, replica: 8
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -535.170387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.170387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.170387 (E_RNA)
where:
Base-Base interactions energy: -363.951
where: short stacking energy: -159.993
Base-Backbone interact. energy: -1.396
local terms energy: -169.824171
where:
bonds (distance) C4'-P energy: -32.261
bonds (distance) P-C4' energy: -32.106
flat angles C4'-P-C4' energy: -31.575
flat angles P-C4'-P energy: -24.756
tors. eta vs tors. theta energy: -49.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -509.077160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.077160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.077160 (E_RNA)
where:
Base-Base interactions energy: -342.877
where: short stacking energy: -143.565
Base-Backbone interact. energy: -0.117
local terms energy: -166.083284
where:
bonds (distance) C4'-P energy: -32.259
bonds (distance) P-C4' energy: -38.441
flat angles C4'-P-C4' energy: -36.075
flat angles P-C4'-P energy: -20.974
tors. eta vs tors. theta energy: -38.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -463.323159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.323159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.323159 (E_RNA)
where:
Base-Base interactions energy: -335.542
where: short stacking energy: -148.546
Base-Backbone interact. energy: -0.210
local terms energy: -127.570851
where:
bonds (distance) C4'-P energy: -19.698
bonds (distance) P-C4' energy: -26.337
flat angles C4'-P-C4' energy: -30.420
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: -37.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -401.556805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.556805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.556805 (E_RNA)
where:
Base-Base interactions energy: -272.384
where: short stacking energy: -120.795
Base-Backbone interact. energy: 1.736
local terms energy: -130.908919
where:
bonds (distance) C4'-P energy: -25.151
bonds (distance) P-C4' energy: -27.708
flat angles C4'-P-C4' energy: -29.583
flat angles P-C4'-P energy: -19.786
tors. eta vs tors. theta energy: -28.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -348.377302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.377302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.377302 (E_RNA)
where:
Base-Base interactions energy: -231.696
where: short stacking energy: -89.746
Base-Backbone interact. energy: 0.863
local terms energy: -117.544665
where:
bonds (distance) C4'-P energy: -33.666
bonds (distance) P-C4' energy: -25.617
flat angles C4'-P-C4' energy: -28.356
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -8.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -237.359639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.359639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.359639 (E_RNA)
where:
Base-Base interactions energy: -126.839
where: short stacking energy: -69.468
Base-Backbone interact. energy: -0.053
local terms energy: -110.467689
where:
bonds (distance) C4'-P energy: -23.858
bonds (distance) P-C4' energy: -26.793
flat angles C4'-P-C4' energy: -33.496
flat angles P-C4'-P energy: -21.005
tors. eta vs tors. theta energy: -5.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -169.024165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.024165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.024165 (E_RNA)
where:
Base-Base interactions energy: -68.740
where: short stacking energy: -58.297
Base-Backbone interact. energy: -0.704
local terms energy: -99.580210
where:
bonds (distance) C4'-P energy: -25.062
bonds (distance) P-C4' energy: -35.098
flat angles C4'-P-C4' energy: -22.695
flat angles P-C4'-P energy: -14.114
tors. eta vs tors. theta energy: -2.612
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: 9
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -600.354321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.354321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.354321 (E_RNA)
where:
Base-Base interactions energy: -424.014
where: short stacking energy: -193.420
Base-Backbone interact. energy: -0.861
local terms energy: -175.479229
where:
bonds (distance) C4'-P energy: -29.325
bonds (distance) P-C4' energy: -33.282
flat angles C4'-P-C4' energy: -39.068
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -54.487
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: 2, replica: 2
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -597.525412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.525412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.525412 (E_RNA)
where:
Base-Base interactions energy: -422.956
where: short stacking energy: -180.136
Base-Backbone interact. energy: -2.023
local terms energy: -172.546204
where:
bonds (distance) C4'-P energy: -29.492
bonds (distance) P-C4' energy: -37.888
flat angles C4'-P-C4' energy: -40.643
flat angles P-C4'-P energy: -21.759
tors. eta vs tors. theta energy: -42.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -545.179916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.179916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.179916 (E_RNA)
where:
Base-Base interactions energy: -360.555
where: short stacking energy: -156.883
Base-Backbone interact. energy: -2.512
local terms energy: -182.112801
where:
bonds (distance) C4'-P energy: -29.488
bonds (distance) P-C4' energy: -38.503
flat angles C4'-P-C4' energy: -39.871
flat angles P-C4'-P energy: -25.853
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: 1
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -580.494862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.494862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.494862 (E_RNA)
where:
Base-Base interactions energy: -419.252
where: short stacking energy: -170.451
Base-Backbone interact. energy: -0.564
local terms energy: -160.678965
where:
bonds (distance) C4'-P energy: -31.673
bonds (distance) P-C4' energy: -29.263
flat angles C4'-P-C4' energy: -34.224
flat angles P-C4'-P energy: -23.237
tors. eta vs tors. theta energy: -42.283
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: 5, replica: 4
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -522.979836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.979836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.979836 (E_RNA)
where:
Base-Base interactions energy: -367.419
where: short stacking energy: -152.173
Base-Backbone interact. energy: -0.648
local terms energy: -154.912114
where:
bonds (distance) C4'-P energy: -35.714
bonds (distance) P-C4' energy: -28.373
flat angles C4'-P-C4' energy: -31.275
flat angles P-C4'-P energy: -21.800
tors. eta vs tors. theta energy: -37.749
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: 3
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -454.628546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.628546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.628546 (E_RNA)
where:
Base-Base interactions energy: -309.705
where: short stacking energy: -132.428
Base-Backbone interact. energy: -1.226
local terms energy: -143.697500
where:
bonds (distance) C4'-P energy: -24.379
bonds (distance) P-C4' energy: -27.876
flat angles C4'-P-C4' energy: -37.731
flat angles P-C4'-P energy: -23.986
tors. eta vs tors. theta energy: -29.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -380.205162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.205162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.205162 (E_RNA)
where:
Base-Base interactions energy: -246.612
where: short stacking energy: -109.562
Base-Backbone interact. energy: 3.857
local terms energy: -137.450757
where:
bonds (distance) C4'-P energy: -35.301
bonds (distance) P-C4' energy: -32.356
flat angles C4'-P-C4' energy: -28.986
flat angles P-C4'-P energy: -21.445
tors. eta vs tors. theta energy: -19.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -370.035403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.035403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.035403 (E_RNA)
where:
Base-Base interactions energy: -242.909
where: short stacking energy: -94.226
Base-Backbone interact. energy: -0.713
local terms energy: -126.414005
where:
bonds (distance) C4'-P energy: -31.265
bonds (distance) P-C4' energy: -28.510
flat angles C4'-P-C4' energy: -33.252
flat angles P-C4'-P energy: -21.911
tors. eta vs tors. theta energy: -11.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -266.636369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.636369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.636369 (E_RNA)
where:
Base-Base interactions energy: -140.751
where: short stacking energy: -73.088
Base-Backbone interact. energy: -0.056
local terms energy: -125.829022
where:
bonds (distance) C4'-P energy: -33.562
bonds (distance) P-C4' energy: -31.291
flat angles C4'-P-C4' energy: -31.520
flat angles P-C4'-P energy: -17.415
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: 7
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -141.493286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.493286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.493286 (E_RNA)
where:
Base-Base interactions energy: -46.949
where: short stacking energy: -45.294
Base-Backbone interact. energy: -0.017
local terms energy: -94.526860
where:
bonds (distance) C4'-P energy: -33.496
bonds (distance) P-C4' energy: -28.002
flat angles C4'-P-C4' energy: -26.093
flat angles P-C4'-P energy: -16.048
tors. eta vs tors. theta energy: 9.112
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: 9
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -606.199631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.199631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.199631 (E_RNA)
where:
Base-Base interactions energy: -416.193
where: short stacking energy: -186.541
Base-Backbone interact. energy: -0.525
local terms energy: -189.482365
where:
bonds (distance) C4'-P energy: -28.510
bonds (distance) P-C4' energy: -36.306
flat angles C4'-P-C4' energy: -41.722
flat angles P-C4'-P energy: -29.486
tors. eta vs tors. theta energy: -53.459
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: 2, replica: 2
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -600.594282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.594282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.594282 (E_RNA)
where:
Base-Base interactions energy: -415.633
where: short stacking energy: -169.464
Base-Backbone interact. energy: 0.101
local terms energy: -185.062577
where:
bonds (distance) C4'-P energy: -36.397
bonds (distance) P-C4' energy: -33.563
flat angles C4'-P-C4' energy: -37.356
flat angles P-C4'-P energy: -25.775
tors. eta vs tors. theta energy: -51.972
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: 8
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -552.891851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.891851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.891851 (E_RNA)
where:
Base-Base interactions energy: -375.082
where: short stacking energy: -165.361
Base-Backbone interact. energy: 3.140
local terms energy: -180.950446
where:
bonds (distance) C4'-P energy: -25.925
bonds (distance) P-C4' energy: -37.807
flat angles C4'-P-C4' energy: -36.838
flat angles P-C4'-P energy: -27.220
tors. eta vs tors. theta energy: -53.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -581.600644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.600644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.600644 (E_RNA)
where:
Base-Base interactions energy: -419.343
where: short stacking energy: -161.927
Base-Backbone interact. energy: 0.353
local terms energy: -162.610823
where:
bonds (distance) C4'-P energy: -29.398
bonds (distance) P-C4' energy: -32.040
flat angles C4'-P-C4' energy: -32.981
flat angles P-C4'-P energy: -30.653
tors. eta vs tors. theta energy: -37.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -520.813579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.813579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.813579 (E_RNA)
where:
Base-Base interactions energy: -377.510
where: short stacking energy: -166.222
Base-Backbone interact. energy: -0.193
local terms energy: -143.110545
where:
bonds (distance) C4'-P energy: -23.848
bonds (distance) P-C4' energy: -20.531
flat angles C4'-P-C4' energy: -35.677
flat angles P-C4'-P energy: -23.117
tors. eta vs tors. theta energy: -39.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -455.122919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.122919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.122919 (E_RNA)
where:
Base-Base interactions energy: -310.890
where: short stacking energy: -145.351
Base-Backbone interact. energy: -0.285
local terms energy: -143.948805
where:
bonds (distance) C4'-P energy: -25.713
bonds (distance) P-C4' energy: -35.106
flat angles C4'-P-C4' energy: -27.337
flat angles P-C4'-P energy: -16.962
tors. eta vs tors. theta energy: -38.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -362.970608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.970608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.970608 (E_RNA)
where:
Base-Base interactions energy: -224.925
where: short stacking energy: -107.262
Base-Backbone interact. energy: -0.133
local terms energy: -137.912561
where:
bonds (distance) C4'-P energy: -29.969
bonds (distance) P-C4' energy: -33.990
flat angles C4'-P-C4' energy: -33.310
flat angles P-C4'-P energy: -15.878
tors. eta vs tors. theta energy: -24.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -398.534439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.534439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.534439 (E_RNA)
where:
Base-Base interactions energy: -265.353
where: short stacking energy: -108.249
Base-Backbone interact. energy: -0.359
local terms energy: -132.822135
where:
bonds (distance) C4'-P energy: -35.018
bonds (distance) P-C4' energy: -29.618
flat angles C4'-P-C4' energy: -36.846
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -20.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -225.783606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.783606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.783606 (E_RNA)
where:
Base-Base interactions energy: -114.748
where: short stacking energy: -67.216
Base-Backbone interact. energy: -1.167
local terms energy: -109.869185
where:
bonds (distance) C4'-P energy: -34.223
bonds (distance) P-C4' energy: -30.499
flat angles C4'-P-C4' energy: -30.012
flat angles P-C4'-P energy: -17.809
tors. eta vs tors. theta energy: 2.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -166.287471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.287471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.287471 (E_RNA)
where:
Base-Base interactions energy: -56.446
where: short stacking energy: -51.676
Base-Backbone interact. energy: 0.900
local terms energy: -110.741539
where:
bonds (distance) C4'-P energy: -25.307
bonds (distance) P-C4' energy: -37.291
flat angles C4'-P-C4' energy: -26.024
flat angles P-C4'-P energy: -14.601
tors. eta vs tors. theta energy: -7.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -610.209086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.209086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.209086 (E_RNA)
where:
Base-Base interactions energy: -423.217
where: short stacking energy: -188.285
Base-Backbone interact. energy: -0.196
local terms energy: -186.795922
where:
bonds (distance) C4'-P energy: -31.897
bonds (distance) P-C4' energy: -36.033
flat angles C4'-P-C4' energy: -36.244
flat angles P-C4'-P energy: -27.212
tors. eta vs tors. theta energy: -55.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -586.941439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.941439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.941439 (E_RNA)
where:
Base-Base interactions energy: -412.330
where: short stacking energy: -170.498
Base-Backbone interact. energy: -1.935
local terms energy: -172.676657
where:
bonds (distance) C4'-P energy: -28.222
bonds (distance) P-C4' energy: -34.494
flat angles C4'-P-C4' energy: -38.289
flat angles P-C4'-P energy: -25.199
tors. eta vs tors. theta energy: -46.473
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: 1
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -600.723002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.723002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.723002 (E_RNA)
where:
Base-Base interactions energy: -425.278
where: short stacking energy: -173.143
Base-Backbone interact. energy: -0.080
local terms energy: -175.364747
where:
bonds (distance) C4'-P energy: -36.488
bonds (distance) P-C4' energy: -35.372
flat angles C4'-P-C4' energy: -34.872
flat angles P-C4'-P energy: -26.582
tors. eta vs tors. theta energy: -42.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -548.500716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.500716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.500716 (E_RNA)
where:
Base-Base interactions energy: -382.853
where: short stacking energy: -155.588
Base-Backbone interact. energy: -0.444
local terms energy: -165.202886
where:
bonds (distance) C4'-P energy: -27.892
bonds (distance) P-C4' energy: -28.863
flat angles C4'-P-C4' energy: -36.520
flat angles P-C4'-P energy: -23.078
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: 4
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -496.644939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.644939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.644939 (E_RNA)
where:
Base-Base interactions energy: -346.636
where: short stacking energy: -153.370
Base-Backbone interact. energy: -0.107
local terms energy: -149.902113
where:
bonds (distance) C4'-P energy: -27.591
bonds (distance) P-C4' energy: -27.437
flat angles C4'-P-C4' energy: -31.729
flat angles P-C4'-P energy: -22.545
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: 6, replica: 3
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -466.619328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.619328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.619328 (E_RNA)
where:
Base-Base interactions energy: -318.361
where: short stacking energy: -146.575
Base-Backbone interact. energy: -1.154
local terms energy: -147.104114
where:
bonds (distance) C4'-P energy: -24.106
bonds (distance) P-C4' energy: -27.388
flat angles C4'-P-C4' energy: -36.648
flat angles P-C4'-P energy: -18.806
tors. eta vs tors. theta energy: -40.156
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: 7, replica: 5
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -430.539969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.539969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.539969 (E_RNA)
where:
Base-Base interactions energy: -287.777
where: short stacking energy: -119.552
Base-Backbone interact. energy: -0.216
local terms energy: -142.546450
where:
bonds (distance) C4'-P energy: -30.719
bonds (distance) P-C4' energy: -33.176
flat angles C4'-P-C4' energy: -28.979
flat angles P-C4'-P energy: -22.104
tors. eta vs tors. theta energy: -27.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -357.675631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.675631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.675631 (E_RNA)
where:
Base-Base interactions energy: -228.323
where: short stacking energy: -99.620
Base-Backbone interact. energy: -1.144
local terms energy: -128.208291
where:
bonds (distance) C4'-P energy: -28.326
bonds (distance) P-C4' energy: -26.890
flat angles C4'-P-C4' energy: -22.022
flat angles P-C4'-P energy: -24.084
tors. eta vs tors. theta energy: -26.887
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: 9, replica: 10
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -246.571404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.571404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.571404 (E_RNA)
where:
Base-Base interactions energy: -131.821
where: short stacking energy: -71.488
Base-Backbone interact. energy: -0.278
local terms energy: -114.472171
where:
bonds (distance) C4'-P energy: -28.554
bonds (distance) P-C4' energy: -36.123
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -21.844
tors. eta vs tors. theta energy: -12.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -169.251759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.251759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.251759 (E_RNA)
where:
Base-Base interactions energy: -70.158
where: short stacking energy: -69.880
Base-Backbone interact. energy: -0.301
local terms energy: -98.792536
where:
bonds (distance) C4'-P energy: -28.640
bonds (distance) P-C4' energy: -30.428
flat angles C4'-P-C4' energy: -21.191
flat angles P-C4'-P energy: -16.316
tors. eta vs tors. theta energy: -2.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -612.350403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.350403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.350403 (E_RNA)
where:
Base-Base interactions energy: -431.765
where: short stacking energy: -197.358
Base-Backbone interact. energy: -0.484
local terms energy: -180.101192
where:
bonds (distance) C4'-P energy: -30.793
bonds (distance) P-C4' energy: -34.359
flat angles C4'-P-C4' energy: -39.204
flat angles P-C4'-P energy: -22.298
tors. eta vs tors. theta energy: -53.448
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: 1
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -603.789863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.789863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.789863 (E_RNA)
where:
Base-Base interactions energy: -432.099
where: short stacking energy: -162.245
Base-Backbone interact. energy: -2.089
local terms energy: -169.601344
where:
bonds (distance) C4'-P energy: -36.525
bonds (distance) P-C4' energy: -35.938
flat angles C4'-P-C4' energy: -36.024
flat angles P-C4'-P energy: -23.265
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: 3, replica: 2
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -589.600386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.600386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.600386 (E_RNA)
where:
Base-Base interactions energy: -428.547
where: short stacking energy: -177.382
Base-Backbone interact. energy: -0.903
local terms energy: -160.150707
where:
bonds (distance) C4'-P energy: -32.706
bonds (distance) P-C4' energy: -27.836
flat angles C4'-P-C4' energy: -31.189
flat angles P-C4'-P energy: -25.163
tors. eta vs tors. theta energy: -43.257
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: 4
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -500.968399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.968399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.968399 (E_RNA)
where:
Base-Base interactions energy: -350.555
where: short stacking energy: -145.834
Base-Backbone interact. energy: -0.522
local terms energy: -149.891488
where:
bonds (distance) C4'-P energy: -32.395
bonds (distance) P-C4' energy: -33.634
flat angles C4'-P-C4' energy: -31.335
flat angles P-C4'-P energy: -18.403
tors. eta vs tors. theta energy: -34.124
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: 8
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -540.424062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.424062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.424062 (E_RNA)
where:
Base-Base interactions energy: -367.293
where: short stacking energy: -162.826
Base-Backbone interact. energy: -1.209
local terms energy: -171.922950
where:
bonds (distance) C4'-P energy: -30.880
bonds (distance) P-C4' energy: -31.187
flat angles C4'-P-C4' energy: -35.139
flat angles P-C4'-P energy: -24.692
tors. eta vs tors. theta energy: -50.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -449.957179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.957179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.957179 (E_RNA)
where:
Base-Base interactions energy: -301.094
where: short stacking energy: -119.411
Base-Backbone interact. energy: -0.328
local terms energy: -148.535779
where:
bonds (distance) C4'-P energy: -27.614
bonds (distance) P-C4' energy: -31.480
flat angles C4'-P-C4' energy: -30.556
flat angles P-C4'-P energy: -30.370
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: 7, replica: 3
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -397.367259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.367259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.367259 (E_RNA)
where:
Base-Base interactions energy: -245.480
where: short stacking energy: -117.179
Base-Backbone interact. energy: -0.755
local terms energy: -151.132456
where:
bonds (distance) C4'-P energy: -33.162
bonds (distance) P-C4' energy: -31.785
flat angles C4'-P-C4' energy: -31.149
flat angles P-C4'-P energy: -19.200
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: 6
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -357.760949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.760949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.760949 (E_RNA)
where:
Base-Base interactions energy: -233.338
where: short stacking energy: -95.615
Base-Backbone interact. energy: -0.391
local terms energy: -124.031951
where:
bonds (distance) C4'-P energy: -28.181
bonds (distance) P-C4' energy: -27.725
flat angles C4'-P-C4' energy: -25.659
flat angles P-C4'-P energy: -20.220
tors. eta vs tors. theta energy: -22.247
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: 10
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -249.894457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.894457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.894457 (E_RNA)
where:
Base-Base interactions energy: -142.742
where: short stacking energy: -58.129
Base-Backbone interact. energy: 3.749
local terms energy: -110.901282
where:
bonds (distance) C4'-P energy: -31.964
bonds (distance) P-C4' energy: -34.908
flat angles C4'-P-C4' energy: -29.765
flat angles P-C4'-P energy: -14.835
tors. eta vs tors. theta energy: 0.571
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: 7
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -173.782362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.782362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.782362 (E_RNA)
where:
Base-Base interactions energy: -83.219
where: short stacking energy: -47.599
Base-Backbone interact. energy: -1.733
local terms energy: -88.831032
where:
bonds (distance) C4'-P energy: -24.624
bonds (distance) P-C4' energy: -28.498
flat angles C4'-P-C4' energy: -23.161
flat angles P-C4'-P energy: -22.085
tors. eta vs tors. theta energy: 9.538
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: 9
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -599.821212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.821212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.821212 (E_RNA)
where:
Base-Base interactions energy: -410.003
where: short stacking energy: -185.203
Base-Backbone interact. energy: -0.053
local terms energy: -189.765112
where:
bonds (distance) C4'-P energy: -33.510
bonds (distance) P-C4' energy: -35.845
flat angles C4'-P-C4' energy: -42.475
flat angles P-C4'-P energy: -25.116
tors. eta vs tors. theta energy: -52.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -590.615674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.615674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.615674 (E_RNA)
where:
Base-Base interactions energy: -423.442
where: short stacking energy: -179.245
Base-Backbone interact. energy: -1.326
local terms energy: -165.847373
where:
bonds (distance) C4'-P energy: -27.678
bonds (distance) P-C4' energy: -24.938
flat angles C4'-P-C4' energy: -36.781
flat angles P-C4'-P energy: -28.561
tors. eta vs tors. theta energy: -47.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -568.306256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.306256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.306256 (E_RNA)
where:
Base-Base interactions energy: -392.606
where: short stacking energy: -163.106
Base-Backbone interact. energy: -2.565
local terms energy: -173.135576
where:
bonds (distance) C4'-P energy: -32.841
bonds (distance) P-C4' energy: -36.274
flat angles C4'-P-C4' energy: -35.828
flat angles P-C4'-P energy: -24.616
tors. eta vs tors. theta energy: -43.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -514.792403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.792403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.792403 (E_RNA)
where:
Base-Base interactions energy: -352.502
where: short stacking energy: -150.443
Base-Backbone interact. energy: -1.362
local terms energy: -160.928493
where:
bonds (distance) C4'-P energy: -24.956
bonds (distance) P-C4' energy: -29.964
flat angles C4'-P-C4' energy: -38.663
flat angles P-C4'-P energy: -24.473
tors. eta vs tors. theta energy: -42.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -537.106829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.106829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.106829 (E_RNA)
where:
Base-Base interactions energy: -371.784
where: short stacking energy: -160.801
Base-Backbone interact. energy: -1.247
local terms energy: -164.076367
where:
bonds (distance) C4'-P energy: -30.814
bonds (distance) P-C4' energy: -31.861
flat angles C4'-P-C4' energy: -36.381
flat angles P-C4'-P energy: -23.844
tors. eta vs tors. theta energy: -41.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -467.579278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.579278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.579278 (E_RNA)
where:
Base-Base interactions energy: -311.670
where: short stacking energy: -144.915
Base-Backbone interact. energy: -0.162
local terms energy: -155.748082
where:
bonds (distance) C4'-P energy: -36.183
bonds (distance) P-C4' energy: -24.789
flat angles C4'-P-C4' energy: -37.081
flat angles P-C4'-P energy: -24.565
tors. eta vs tors. theta energy: -33.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -373.468622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.468622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.468622 (E_RNA)
where:
Base-Base interactions energy: -233.331
where: short stacking energy: -120.927
Base-Backbone interact. energy: -1.220
local terms energy: -138.917943
where:
bonds (distance) C4'-P energy: -23.958
bonds (distance) P-C4' energy: -30.211
flat angles C4'-P-C4' energy: -39.732
flat angles P-C4'-P energy: -16.405
tors. eta vs tors. theta energy: -28.613
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: 6
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -328.760290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.760290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.760290 (E_RNA)
where:
Base-Base interactions energy: -198.166
where: short stacking energy: -87.778
Base-Backbone interact. energy: -2.606
local terms energy: -127.987715
where:
bonds (distance) C4'-P energy: -29.029
bonds (distance) P-C4' energy: -38.592
flat angles C4'-P-C4' energy: -26.757
flat angles P-C4'-P energy: -19.729
tors. eta vs tors. theta energy: -13.880
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: 7
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -208.909721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.909721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.909721 (E_RNA)
where:
Base-Base interactions energy: -94.414
where: short stacking energy: -56.977
Base-Backbone interact. energy: -1.128
local terms energy: -113.368328
where:
bonds (distance) C4'-P energy: -29.375
bonds (distance) P-C4' energy: -35.643
flat angles C4'-P-C4' energy: -27.467
flat angles P-C4'-P energy: -18.573
tors. eta vs tors. theta energy: -2.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -220.656254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.656254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.656254 (E_RNA)
where:
Base-Base interactions energy: -118.597
where: short stacking energy: -68.332
Base-Backbone interact. energy: -0.544
local terms energy: -101.515228
where:
bonds (distance) C4'-P energy: -32.816
bonds (distance) P-C4' energy: -30.155
flat angles C4'-P-C4' energy: -22.788
flat angles P-C4'-P energy: -18.650
tors. eta vs tors. theta energy: 2.894
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: 1, replica: 9
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -614.834877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.834877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.834877 (E_RNA)
where:
Base-Base interactions energy: -427.039
where: short stacking energy: -193.577
Base-Backbone interact. energy: -0.929
local terms energy: -186.866619
where:
bonds (distance) C4'-P energy: -31.940
bonds (distance) P-C4' energy: -34.558
flat angles C4'-P-C4' energy: -41.056
flat angles P-C4'-P energy: -26.569
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: 119
Temperature: 0.950000
Total energy: -609.399917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.399917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.399917 (E_RNA)
where:
Base-Base interactions energy: -437.100
where: short stacking energy: -181.313
Base-Backbone interact. energy: -0.785
local terms energy: -171.514569
where:
bonds (distance) C4'-P energy: -28.060
bonds (distance) P-C4' energy: -31.207
flat angles C4'-P-C4' energy: -37.629
flat angles P-C4'-P energy: -30.409
tors. eta vs tors. theta energy: -44.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -577.677609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.677609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.677609 (E_RNA)
where:
Base-Base interactions energy: -401.284
where: short stacking energy: -163.421
Base-Backbone interact. energy: -1.316
local terms energy: -175.077577
where:
bonds (distance) C4'-P energy: -26.074
bonds (distance) P-C4' energy: -33.797
flat angles C4'-P-C4' energy: -40.025
flat angles P-C4'-P energy: -27.714
tors. eta vs tors. theta energy: -47.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -541.440064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.440064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.440064 (E_RNA)
where:
Base-Base interactions energy: -366.905
where: short stacking energy: -163.176
Base-Backbone interact. energy: -0.143
local terms energy: -174.391858
where:
bonds (distance) C4'-P energy: -31.765
bonds (distance) P-C4' energy: -32.258
flat angles C4'-P-C4' energy: -33.763
flat angles P-C4'-P energy: -26.637
tors. eta vs tors. theta energy: -49.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -532.199615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.199615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.199615 (E_RNA)
where:
Base-Base interactions energy: -356.981
where: short stacking energy: -147.586
Base-Backbone interact. energy: -1.666
local terms energy: -173.552003
where:
bonds (distance) C4'-P energy: -31.713
bonds (distance) P-C4' energy: -35.824
flat angles C4'-P-C4' energy: -35.220
flat angles P-C4'-P energy: -26.136
tors. eta vs tors. theta energy: -44.659
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: 5
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -488.777508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.777508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.777508 (E_RNA)
where:
Base-Base interactions energy: -349.176
where: short stacking energy: -143.203
Base-Backbone interact. energy: -0.188
local terms energy: -139.413530
where:
bonds (distance) C4'-P energy: -25.418
bonds (distance) P-C4' energy: -26.220
flat angles C4'-P-C4' energy: -29.669
flat angles P-C4'-P energy: -22.125
tors. eta vs tors. theta energy: -35.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -348.937973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.937973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.937973 (E_RNA)
where:
Base-Base interactions energy: -224.007
where: short stacking energy: -97.264
Base-Backbone interact. energy: -0.111
local terms energy: -124.820165
where:
bonds (distance) C4'-P energy: -33.978
bonds (distance) P-C4' energy: -28.784
flat angles C4'-P-C4' energy: -27.529
flat angles P-C4'-P energy: -19.672
tors. eta vs tors. theta energy: -14.857
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: 6
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -317.281814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.281814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.281814 (E_RNA)
where:
Base-Base interactions energy: -197.527
where: short stacking energy: -97.322
Base-Backbone interact. energy: 0.571
local terms energy: -120.325545
where:
bonds (distance) C4'-P energy: -29.435
bonds (distance) P-C4' energy: -26.180
flat angles C4'-P-C4' energy: -30.219
flat angles P-C4'-P energy: -18.212
tors. eta vs tors. theta energy: -16.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -184.131546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.131546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.131546 (E_RNA)
where:
Base-Base interactions energy: -83.210
where: short stacking energy: -58.968
Base-Backbone interact. energy: -0.406
local terms energy: -100.515475
where:
bonds (distance) C4'-P energy: -27.185
bonds (distance) P-C4' energy: -33.766
flat angles C4'-P-C4' energy: -25.826
flat angles P-C4'-P energy: -15.233
tors. eta vs tors. theta energy: 1.494
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: 119
Temperature: 1.350000
Total energy: -216.832222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.832222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.832222 (E_RNA)
where:
Base-Base interactions energy: -113.819
where: short stacking energy: -58.517
Base-Backbone interact. energy: 1.600
local terms energy: -104.612989
where:
bonds (distance) C4'-P energy: -27.898
bonds (distance) P-C4' energy: -35.553
flat angles C4'-P-C4' energy: -19.181
flat angles P-C4'-P energy: -20.111
tors. eta vs tors. theta energy: -1.869
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: 1
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -618.255987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.255987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.255987 (E_RNA)
where:
Base-Base interactions energy: -435.217
where: short stacking energy: -176.983
Base-Backbone interact. energy: -2.582
local terms energy: -180.456253
where:
bonds (distance) C4'-P energy: -30.897
bonds (distance) P-C4' energy: -35.919
flat angles C4'-P-C4' energy: -38.467
flat angles P-C4'-P energy: -26.014
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: 9
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -601.758620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.758620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.758620 (E_RNA)
where:
Base-Base interactions energy: -415.563
where: short stacking energy: -184.249
Base-Backbone interact. energy: -0.593
local terms energy: -185.602187
where:
bonds (distance) C4'-P energy: -30.562
bonds (distance) P-C4' energy: -35.260
flat angles C4'-P-C4' energy: -37.644
flat angles P-C4'-P energy: -28.380
tors. eta vs tors. theta energy: -53.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -588.295143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.295143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.295143 (E_RNA)
where:
Base-Base interactions energy: -405.253
where: short stacking energy: -168.281
Base-Backbone interact. energy: 0.058
local terms energy: -183.100196
where:
bonds (distance) C4'-P energy: -37.316
bonds (distance) P-C4' energy: -31.695
flat angles C4'-P-C4' energy: -37.278
flat angles P-C4'-P energy: -26.585
tors. eta vs tors. theta energy: -50.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -532.897487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.897487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.897487 (E_RNA)
where:
Base-Base interactions energy: -369.663
where: short stacking energy: -163.589
Base-Backbone interact. energy: -1.477
local terms energy: -161.758143
where:
bonds (distance) C4'-P energy: -29.594
bonds (distance) P-C4' energy: -32.393
flat angles C4'-P-C4' energy: -36.278
flat angles P-C4'-P energy: -18.683
tors. eta vs tors. theta energy: -44.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -532.284122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.284122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.284122 (E_RNA)
where:
Base-Base interactions energy: -371.095
where: short stacking energy: -172.010
Base-Backbone interact. energy: 1.323
local terms energy: -162.512396
where:
bonds (distance) C4'-P energy: -34.209
bonds (distance) P-C4' energy: -24.128
flat angles C4'-P-C4' energy: -30.468
flat angles P-C4'-P energy: -20.970
tors. eta vs tors. theta energy: -52.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -482.028721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.028721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.028721 (E_RNA)
where:
Base-Base interactions energy: -332.104
where: short stacking energy: -141.572
Base-Backbone interact. energy: -0.164
local terms energy: -149.760495
where:
bonds (distance) C4'-P energy: -27.273
bonds (distance) P-C4' energy: -33.754
flat angles C4'-P-C4' energy: -33.270
flat angles P-C4'-P energy: -22.812
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: 7, replica: 3
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -362.105609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.105609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.105609 (E_RNA)
where:
Base-Base interactions energy: -221.364
where: short stacking energy: -111.915
Base-Backbone interact. energy: -0.841
local terms energy: -139.901025
where:
bonds (distance) C4'-P energy: -33.079
bonds (distance) P-C4' energy: -35.052
flat angles C4'-P-C4' energy: -32.831
flat angles P-C4'-P energy: -17.709
tors. eta vs tors. theta energy: -21.231
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: 6
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -302.024851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.024851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.024851 (E_RNA)
where:
Base-Base interactions energy: -184.028
where: short stacking energy: -83.224
Base-Backbone interact. energy: -0.642
local terms energy: -117.354965
where:
bonds (distance) C4'-P energy: -33.487
bonds (distance) P-C4' energy: -31.889
flat angles C4'-P-C4' energy: -27.563
flat angles P-C4'-P energy: -14.675
tors. eta vs tors. theta energy: -9.741
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: 120
Temperature: 1.300000
Total energy: -240.417434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.417434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.417434 (E_RNA)
where:
Base-Base interactions energy: -134.546
where: short stacking energy: -70.659
Base-Backbone interact. energy: -1.025
local terms energy: -104.845913
where:
bonds (distance) C4'-P energy: -21.744
bonds (distance) P-C4' energy: -36.989
flat angles C4'-P-C4' energy: -20.449
flat angles P-C4'-P energy: -17.642
tors. eta vs tors. theta energy: -8.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -167.666043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.666043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.666043 (E_RNA)
where:
Base-Base interactions energy: -70.167
where: short stacking energy: -65.593
Base-Backbone interact. energy: 0.218
local terms energy: -97.717414
where:
bonds (distance) C4'-P energy: -23.715
bonds (distance) P-C4' energy: -25.433
flat angles C4'-P-C4' energy: -31.872
flat angles P-C4'-P energy: -14.460
tors. eta vs tors. theta energy: -2.238
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: 1
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -604.789654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.789654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.789654 (E_RNA)
where:
Base-Base interactions energy: -420.027
where: short stacking energy: -174.908
Base-Backbone interact. energy: 0.418
local terms energy: -185.181418
where:
bonds (distance) C4'-P energy: -36.594
bonds (distance) P-C4' energy: -37.793
flat angles C4'-P-C4' energy: -39.879
flat angles P-C4'-P energy: -23.578
tors. eta vs tors. theta energy: -47.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -600.189434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.189434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.189434 (E_RNA)
where:
Base-Base interactions energy: -414.565
where: short stacking energy: -185.696
Base-Backbone interact. energy: -1.359
local terms energy: -184.265394
where:
bonds (distance) C4'-P energy: -30.468
bonds (distance) P-C4' energy: -30.375
flat angles C4'-P-C4' energy: -39.715
flat angles P-C4'-P energy: -28.703
tors. eta vs tors. theta energy: -55.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -575.672562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.672562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.672562 (E_RNA)
where:
Base-Base interactions energy: -398.358
where: short stacking energy: -160.837
Base-Backbone interact. energy: -3.123
local terms energy: -174.191101
where:
bonds (distance) C4'-P energy: -27.359
bonds (distance) P-C4' energy: -35.185
flat angles C4'-P-C4' energy: -31.814
flat angles P-C4'-P energy: -32.830
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: 4, replica: 8
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -543.535337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.535337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.535337 (E_RNA)
where:
Base-Base interactions energy: -382.100
where: short stacking energy: -156.285
Base-Backbone interact. energy: -0.623
local terms energy: -160.811944
where:
bonds (distance) C4'-P energy: -28.345
bonds (distance) P-C4' energy: -30.071
flat angles C4'-P-C4' energy: -37.018
flat angles P-C4'-P energy: -19.426
tors. eta vs tors. theta energy: -45.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -522.523615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.523615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.523615 (E_RNA)
where:
Base-Base interactions energy: -352.299
where: short stacking energy: -148.439
Base-Backbone interact. energy: 1.955
local terms energy: -172.179907
where:
bonds (distance) C4'-P energy: -31.967
bonds (distance) P-C4' energy: -35.804
flat angles C4'-P-C4' energy: -33.911
flat angles P-C4'-P energy: -25.038
tors. eta vs tors. theta energy: -45.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -454.294531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.294531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.294531 (E_RNA)
where:
Base-Base interactions energy: -306.523
where: short stacking energy: -135.956
Base-Backbone interact. energy: -1.042
local terms energy: -146.730394
where:
bonds (distance) C4'-P energy: -31.320
bonds (distance) P-C4' energy: -32.764
flat angles C4'-P-C4' energy: -33.724
flat angles P-C4'-P energy: -24.125
tors. eta vs tors. theta energy: -24.796
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: 3
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -378.010925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.010925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.010925 (E_RNA)
where:
Base-Base interactions energy: -246.675
where: short stacking energy: -120.958
Base-Backbone interact. energy: -0.249
local terms energy: -131.087422
where:
bonds (distance) C4'-P energy: -27.762
bonds (distance) P-C4' energy: -24.859
flat angles C4'-P-C4' energy: -34.431
flat angles P-C4'-P energy: -17.764
tors. eta vs tors. theta energy: -26.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -326.785362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.785362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.785362 (E_RNA)
where:
Base-Base interactions energy: -190.310
where: short stacking energy: -101.226
Base-Backbone interact. energy: -0.662
local terms energy: -135.813822
where:
bonds (distance) C4'-P energy: -29.747
bonds (distance) P-C4' energy: -29.083
flat angles C4'-P-C4' energy: -31.234
flat angles P-C4'-P energy: -21.526
tors. eta vs tors. theta energy: -24.225
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: 121
Temperature: 1.300000
Total energy: -298.114649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.114649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.114649 (E_RNA)
where:
Base-Base interactions energy: -188.332
where: short stacking energy: -105.618
Base-Backbone interact. energy: -0.735
local terms energy: -109.047368
where:
bonds (distance) C4'-P energy: -28.768
bonds (distance) P-C4' energy: -23.682
flat angles C4'-P-C4' energy: -27.956
flat angles P-C4'-P energy: -13.905
tors. eta vs tors. theta energy: -14.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -170.312630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.312630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.312630 (E_RNA)
where:
Base-Base interactions energy: -59.236
where: short stacking energy: -59.162
Base-Backbone interact. energy: -0.182
local terms energy: -110.894815
where:
bonds (distance) C4'-P energy: -25.469
bonds (distance) P-C4' energy: -35.593
flat angles C4'-P-C4' energy: -24.968
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -13.280
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: 9
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -606.361993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.361993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.361993 (E_RNA)
where:
Base-Base interactions energy: -419.038
where: short stacking energy: -189.321
Base-Backbone interact. energy: -0.115
local terms energy: -187.209070
where:
bonds (distance) C4'-P energy: -34.007
bonds (distance) P-C4' energy: -32.689
flat angles C4'-P-C4' energy: -35.936
flat angles P-C4'-P energy: -28.905
tors. eta vs tors. theta energy: -55.671
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: 1
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -579.523046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.523046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.523046 (E_RNA)
where:
Base-Base interactions energy: -412.519
where: short stacking energy: -171.329
Base-Backbone interact. energy: -1.073
local terms energy: -165.930858
where:
bonds (distance) C4'-P energy: -28.714
bonds (distance) P-C4' energy: -36.218
flat angles C4'-P-C4' energy: -29.400
flat angles P-C4'-P energy: -21.908
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: 3, replica: 2
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -590.379196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.379196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.379196 (E_RNA)
where:
Base-Base interactions energy: -406.594
where: short stacking energy: -172.753
Base-Backbone interact. energy: 1.381
local terms energy: -185.165983
where:
bonds (distance) C4'-P energy: -33.157
bonds (distance) P-C4' energy: -33.219
flat angles C4'-P-C4' energy: -41.883
flat angles P-C4'-P energy: -27.652
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: 4, replica: 8
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -549.253715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.253715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.253715 (E_RNA)
where:
Base-Base interactions energy: -371.745
where: short stacking energy: -156.433
Base-Backbone interact. energy: -0.393
local terms energy: -177.115776
where:
bonds (distance) C4'-P energy: -35.207
bonds (distance) P-C4' energy: -34.382
flat angles C4'-P-C4' energy: -36.680
flat angles P-C4'-P energy: -28.226
tors. eta vs tors. theta energy: -42.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -516.117779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.117779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.117779 (E_RNA)
where:
Base-Base interactions energy: -350.837
where: short stacking energy: -144.022
Base-Backbone interact. energy: -0.287
local terms energy: -164.993551
where:
bonds (distance) C4'-P energy: -28.452
bonds (distance) P-C4' energy: -34.791
flat angles C4'-P-C4' energy: -33.712
flat angles P-C4'-P energy: -22.545
tors. eta vs tors. theta energy: -45.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -474.090760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.090760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.090760 (E_RNA)
where:
Base-Base interactions energy: -333.308
where: short stacking energy: -146.105
Base-Backbone interact. energy: -0.508
local terms energy: -140.274442
where:
bonds (distance) C4'-P energy: -26.667
bonds (distance) P-C4' energy: -32.522
flat angles C4'-P-C4' energy: -29.664
flat angles P-C4'-P energy: -14.973
tors. eta vs tors. theta energy: -36.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -354.249701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.249701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.249701 (E_RNA)
where:
Base-Base interactions energy: -212.489
where: short stacking energy: -115.624
Base-Backbone interact. energy: -0.256
local terms energy: -141.504647
where:
bonds (distance) C4'-P energy: -28.261
bonds (distance) P-C4' energy: -32.847
flat angles C4'-P-C4' energy: -30.888
flat angles P-C4'-P energy: -20.980
tors. eta vs tors. theta energy: -28.529
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: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -342.738888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.738888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.738888 (E_RNA)
where:
Base-Base interactions energy: -209.267
where: short stacking energy: -97.107
Base-Backbone interact. energy: -1.030
local terms energy: -132.441508
where:
bonds (distance) C4'-P energy: -34.908
bonds (distance) P-C4' energy: -25.431
flat angles C4'-P-C4' energy: -27.848
flat angles P-C4'-P energy: -23.376
tors. eta vs tors. theta energy: -20.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -188.548572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.548572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.548572 (E_RNA)
where:
Base-Base interactions energy: -79.004
where: short stacking energy: -61.031
Base-Backbone interact. energy: -0.240
local terms energy: -109.304110
where:
bonds (distance) C4'-P energy: -34.186
bonds (distance) P-C4' energy: -29.181
flat angles C4'-P-C4' energy: -27.475
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -8.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -262.488136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.488136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.488136 (E_RNA)
where:
Base-Base interactions energy: -163.733
where: short stacking energy: -100.387
Base-Backbone interact. energy: 0.201
local terms energy: -98.956263
where:
bonds (distance) C4'-P energy: -17.238
bonds (distance) P-C4' energy: -29.128
flat angles C4'-P-C4' energy: -18.252
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -21.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -608.532395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.532395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.532395 (E_RNA)
where:
Base-Base interactions energy: -413.004
where: short stacking energy: -186.480
Base-Backbone interact. energy: -0.021
local terms energy: -195.507376
where:
bonds (distance) C4'-P energy: -40.621
bonds (distance) P-C4' energy: -38.804
flat angles C4'-P-C4' energy: -38.952
flat angles P-C4'-P energy: -27.766
tors. eta vs tors. theta energy: -49.364
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: 2
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -597.778393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.778393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.778393 (E_RNA)
where:
Base-Base interactions energy: -421.807
where: short stacking energy: -178.487
Base-Backbone interact. energy: -1.628
local terms energy: -174.342548
where:
bonds (distance) C4'-P energy: -34.390
bonds (distance) P-C4' energy: -30.296
flat angles C4'-P-C4' energy: -36.317
flat angles P-C4'-P energy: -23.284
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: 1
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -588.186994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.186994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.186994 (E_RNA)
where:
Base-Base interactions energy: -416.957
where: short stacking energy: -164.788
Base-Backbone interact. energy: -1.297
local terms energy: -169.932640
where:
bonds (distance) C4'-P energy: -33.243
bonds (distance) P-C4' energy: -35.882
flat angles C4'-P-C4' energy: -34.241
flat angles P-C4'-P energy: -23.794
tors. eta vs tors. theta energy: -42.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -537.313891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.313891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.313891 (E_RNA)
where:
Base-Base interactions energy: -370.420
where: short stacking energy: -163.529
Base-Backbone interact. energy: -0.922
local terms energy: -165.971309
where:
bonds (distance) C4'-P energy: -33.315
bonds (distance) P-C4' energy: -26.777
flat angles C4'-P-C4' energy: -36.385
flat angles P-C4'-P energy: -19.886
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: 5, replica: 4
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -500.194026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.194026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.194026 (E_RNA)
where:
Base-Base interactions energy: -336.525
where: short stacking energy: -143.765
Base-Backbone interact. energy: -0.281
local terms energy: -163.387605
where:
bonds (distance) C4'-P energy: -38.208
bonds (distance) P-C4' energy: -33.694
flat angles C4'-P-C4' energy: -37.288
flat angles P-C4'-P energy: -22.624
tors. eta vs tors. theta energy: -31.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -482.044031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.044031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.044031 (E_RNA)
where:
Base-Base interactions energy: -327.613
where: short stacking energy: -136.466
Base-Backbone interact. energy: 1.679
local terms energy: -156.109977
where:
bonds (distance) C4'-P energy: -30.549
bonds (distance) P-C4' energy: -32.652
flat angles C4'-P-C4' energy: -40.686
flat angles P-C4'-P energy: -19.936
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: 3
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -387.889772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.889772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.889772 (E_RNA)
where:
Base-Base interactions energy: -251.361
where: short stacking energy: -117.192
Base-Backbone interact. energy: -1.358
local terms energy: -135.171363
where:
bonds (distance) C4'-P energy: -32.744
bonds (distance) P-C4' energy: -29.135
flat angles C4'-P-C4' energy: -30.681
flat angles P-C4'-P energy: -15.836
tors. eta vs tors. theta energy: -26.775
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: 6
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -344.758116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.758116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.758116 (E_RNA)
where:
Base-Base interactions energy: -225.155
where: short stacking energy: -101.617
Base-Backbone interact. energy: 0.304
local terms energy: -119.907080
where:
bonds (distance) C4'-P energy: -28.544
bonds (distance) P-C4' energy: -27.893
flat angles C4'-P-C4' energy: -28.359
flat angles P-C4'-P energy: -18.776
tors. eta vs tors. theta energy: -16.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -165.088840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.088840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.088840 (E_RNA)
where:
Base-Base interactions energy: -65.856
where: short stacking energy: -50.805
Base-Backbone interact. energy: -1.390
local terms energy: -97.842548
where:
bonds (distance) C4'-P energy: -29.980
bonds (distance) P-C4' energy: -32.242
flat angles C4'-P-C4' energy: -22.064
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -5.397
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: 123
Temperature: 1.350000
Total energy: -263.391068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.391068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.391068 (E_RNA)
where:
Base-Base interactions energy: -152.089
where: short stacking energy: -77.972
Base-Backbone interact. energy: 0.182
local terms energy: -111.484198
where:
bonds (distance) C4'-P energy: -25.012
bonds (distance) P-C4' energy: -31.013
flat angles C4'-P-C4' energy: -23.858
flat angles P-C4'-P energy: -18.080
tors. eta vs tors. theta energy: -13.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -607.611787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.611787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.611787 (E_RNA)
where:
Base-Base interactions energy: -415.348
where: short stacking energy: -169.326
Base-Backbone interact. energy: 1.363
local terms energy: -193.626788
where:
bonds (distance) C4'-P energy: -33.831
bonds (distance) P-C4' energy: -36.002
flat angles C4'-P-C4' energy: -41.026
flat angles P-C4'-P energy: -32.282
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: 2, replica: 9
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -613.094170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.094170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.094170 (E_RNA)
where:
Base-Base interactions energy: -418.133
where: short stacking energy: -198.030
Base-Backbone interact. energy: -0.324
local terms energy: -194.637181
where:
bonds (distance) C4'-P energy: -33.898
bonds (distance) P-C4' energy: -36.491
flat angles C4'-P-C4' energy: -40.623
flat angles P-C4'-P energy: -30.437
tors. eta vs tors. theta energy: -53.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -537.779020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.779020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.779020 (E_RNA)
where:
Base-Base interactions energy: -373.403
where: short stacking energy: -157.776
Base-Backbone interact. energy: -0.402
local terms energy: -163.974852
where:
bonds (distance) C4'-P energy: -27.888
bonds (distance) P-C4' energy: -32.197
flat angles C4'-P-C4' energy: -32.009
flat angles P-C4'-P energy: -25.632
tors. eta vs tors. theta energy: -46.249
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: 1
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -576.021114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.021114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.021114 (E_RNA)
where:
Base-Base interactions energy: -396.592
where: short stacking energy: -168.739
Base-Backbone interact. energy: -0.517
local terms energy: -178.911817
where:
bonds (distance) C4'-P energy: -27.066
bonds (distance) P-C4' energy: -36.297
flat angles C4'-P-C4' energy: -42.288
flat angles P-C4'-P energy: -28.903
tors. eta vs tors. theta energy: -44.358
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: 124
Temperature: 1.100000
Total energy: -510.818949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.818949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.818949 (E_RNA)
where:
Base-Base interactions energy: -347.054
where: short stacking energy: -161.795
Base-Backbone interact. energy: 0.938
local terms energy: -164.702850
where:
bonds (distance) C4'-P energy: -31.189
bonds (distance) P-C4' energy: -35.968
flat angles C4'-P-C4' energy: -35.358
flat angles P-C4'-P energy: -21.176
tors. eta vs tors. theta energy: -41.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -507.917744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.917744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.917744 (E_RNA)
where:
Base-Base interactions energy: -350.007
where: short stacking energy: -143.149
Base-Backbone interact. energy: -0.122
local terms energy: -157.788664
where:
bonds (distance) C4'-P energy: -19.602
bonds (distance) P-C4' energy: -28.708
flat angles C4'-P-C4' energy: -35.439
flat angles P-C4'-P energy: -27.679
tors. eta vs tors. theta energy: -46.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -367.479630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.479630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.479630 (E_RNA)
where:
Base-Base interactions energy: -234.769
where: short stacking energy: -102.527
Base-Backbone interact. energy: -0.631
local terms energy: -132.079331
where:
bonds (distance) C4'-P energy: -27.887
bonds (distance) P-C4' energy: -38.791
flat angles C4'-P-C4' energy: -27.906
flat angles P-C4'-P energy: -18.659
tors. eta vs tors. theta energy: -18.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -351.619658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.619658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.619658 (E_RNA)
where:
Base-Base interactions energy: -217.423
where: short stacking energy: -88.918
Base-Backbone interact. energy: -2.259
local terms energy: -131.938034
where:
bonds (distance) C4'-P energy: -28.234
bonds (distance) P-C4' energy: -32.928
flat angles C4'-P-C4' energy: -35.131
flat angles P-C4'-P energy: -19.205
tors. eta vs tors. theta energy: -16.440
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: 9, replica: 10
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -247.675857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.675857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.675857 (E_RNA)
where:
Base-Base interactions energy: -141.521
where: short stacking energy: -77.287
Base-Backbone interact. energy: -0.545
local terms energy: -105.610358
where:
bonds (distance) C4'-P energy: -30.055
bonds (distance) P-C4' energy: -32.186
flat angles C4'-P-C4' energy: -29.445
flat angles P-C4'-P energy: -4.404
tors. eta vs tors. theta energy: -9.520
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: 7
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -166.229423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.229423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.229423 (E_RNA)
where:
Base-Base interactions energy: -61.899
where: short stacking energy: -55.257
Base-Backbone interact. energy: 0.005
local terms energy: -104.335698
where:
bonds (distance) C4'-P energy: -30.538
bonds (distance) P-C4' energy: -30.938
flat angles C4'-P-C4' energy: -24.286
flat angles P-C4'-P energy: -15.729
tors. eta vs tors. theta energy: -2.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -601.966282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.966282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.966282 (E_RNA)
where:
Base-Base interactions energy: -416.644
where: short stacking energy: -180.422
Base-Backbone interact. energy: -0.606
local terms energy: -184.716203
where:
bonds (distance) C4'-P energy: -37.586
bonds (distance) P-C4' energy: -39.366
flat angles C4'-P-C4' energy: -37.694
flat angles P-C4'-P energy: -24.288
tors. eta vs tors. theta energy: -45.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -600.173834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.173834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.173834 (E_RNA)
where:
Base-Base interactions energy: -408.165
where: short stacking energy: -188.718
Base-Backbone interact. energy: -0.380
local terms energy: -191.628236
where:
bonds (distance) C4'-P energy: -33.589
bonds (distance) P-C4' energy: -38.111
flat angles C4'-P-C4' energy: -36.902
flat angles P-C4'-P energy: -30.049
tors. eta vs tors. theta energy: -52.977
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: 125
Temperature: 1.000000
Total energy: -556.528259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.528259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.528259 (E_RNA)
where:
Base-Base interactions energy: -382.898
where: short stacking energy: -160.871
Base-Backbone interact. energy: -0.434
local terms energy: -173.195928
where:
bonds (distance) C4'-P energy: -33.590
bonds (distance) P-C4' energy: -33.572
flat angles C4'-P-C4' energy: -32.416
flat angles P-C4'-P energy: -27.068
tors. eta vs tors. theta energy: -46.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -553.164209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.164209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.164209 (E_RNA)
where:
Base-Base interactions energy: -386.879
where: short stacking energy: -162.352
Base-Backbone interact. energy: -2.438
local terms energy: -163.847255
where:
bonds (distance) C4'-P energy: -31.749
bonds (distance) P-C4' energy: -27.047
flat angles C4'-P-C4' energy: -35.894
flat angles P-C4'-P energy: -27.066
tors. eta vs tors. theta energy: -42.092
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: 5
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -501.022420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.022420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.022420 (E_RNA)
where:
Base-Base interactions energy: -353.366
where: short stacking energy: -137.206
Base-Backbone interact. energy: 0.973
local terms energy: -148.629708
where:
bonds (distance) C4'-P energy: -34.172
bonds (distance) P-C4' energy: -37.084
flat angles C4'-P-C4' energy: -31.879
flat angles P-C4'-P energy: -13.638
tors. eta vs tors. theta energy: -31.856
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: 4
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -514.502034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.502034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.502034 (E_RNA)
where:
Base-Base interactions energy: -349.913
where: short stacking energy: -144.889
Base-Backbone interact. energy: 0.473
local terms energy: -165.061804
where:
bonds (distance) C4'-P energy: -24.539
bonds (distance) P-C4' energy: -36.692
flat angles C4'-P-C4' energy: -35.487
flat angles P-C4'-P energy: -27.461
tors. eta vs tors. theta energy: -40.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -376.650776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.650776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.650776 (E_RNA)
where:
Base-Base interactions energy: -252.747
where: short stacking energy: -122.529
Base-Backbone interact. energy: -0.693
local terms energy: -123.211183
where:
bonds (distance) C4'-P energy: -26.865
bonds (distance) P-C4' energy: -27.549
flat angles C4'-P-C4' energy: -25.842
flat angles P-C4'-P energy: -17.114
tors. eta vs tors. theta energy: -25.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -350.557702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.557702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.557702 (E_RNA)
where:
Base-Base interactions energy: -218.719
where: short stacking energy: -102.313
Base-Backbone interact. energy: -0.204
local terms energy: -131.634639
where:
bonds (distance) C4'-P energy: -25.543
bonds (distance) P-C4' energy: -34.552
flat angles C4'-P-C4' energy: -32.378
flat angles P-C4'-P energy: -15.689
tors. eta vs tors. theta energy: -23.472
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: 9, replica: 10
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -235.473791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.473791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.473791 (E_RNA)
where:
Base-Base interactions energy: -124.366
where: short stacking energy: -68.405
Base-Backbone interact. energy: -0.580
local terms energy: -110.528181
where:
bonds (distance) C4'-P energy: -29.707
bonds (distance) P-C4' energy: -26.783
flat angles C4'-P-C4' energy: -32.690
flat angles P-C4'-P energy: -12.960
tors. eta vs tors. theta energy: -8.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -160.862132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.862132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.862132 (E_RNA)
where:
Base-Base interactions energy: -51.046
where: short stacking energy: -45.955
Base-Backbone interact. energy: 0.013
local terms energy: -109.828891
where:
bonds (distance) C4'-P energy: -35.016
bonds (distance) P-C4' energy: -28.395
flat angles C4'-P-C4' energy: -26.938
flat angles P-C4'-P energy: -18.728
tors. eta vs tors. theta energy: -0.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -614.492222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.492222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.492222 (E_RNA)
where:
Base-Base interactions energy: -420.032
where: short stacking energy: -196.031
Base-Backbone interact. energy: -0.043
local terms energy: -194.416811
where:
bonds (distance) C4'-P energy: -27.235
bonds (distance) P-C4' energy: -40.228
flat angles C4'-P-C4' energy: -41.863
flat angles P-C4'-P energy: -28.922
tors. eta vs tors. theta energy: -56.169
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: 126
Temperature: 0.950000
Total energy: -598.434246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.434246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.434246 (E_RNA)
where:
Base-Base interactions energy: -405.803
where: short stacking energy: -164.245
Base-Backbone interact. energy: -1.612
local terms energy: -191.019173
where:
bonds (distance) C4'-P energy: -37.082
bonds (distance) P-C4' energy: -39.984
flat angles C4'-P-C4' energy: -39.766
flat angles P-C4'-P energy: -24.967
tors. eta vs tors. theta energy: -49.221
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: 1
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -555.834037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.834037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.834037 (E_RNA)
where:
Base-Base interactions energy: -382.680
where: short stacking energy: -160.706
Base-Backbone interact. energy: -0.943
local terms energy: -172.211040
where:
bonds (distance) C4'-P energy: -34.253
bonds (distance) P-C4' energy: -34.278
flat angles C4'-P-C4' energy: -37.189
flat angles P-C4'-P energy: -24.183
tors. eta vs tors. theta energy: -42.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -552.208750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.208750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.208750 (E_RNA)
where:
Base-Base interactions energy: -380.655
where: short stacking energy: -165.430
Base-Backbone interact. energy: -2.013
local terms energy: -169.540491
where:
bonds (distance) C4'-P energy: -32.437
bonds (distance) P-C4' energy: -40.301
flat angles C4'-P-C4' energy: -32.569
flat angles P-C4'-P energy: -21.824
tors. eta vs tors. theta energy: -42.409
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: 4
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -489.557078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.557078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.557078 (E_RNA)
where:
Base-Base interactions energy: -345.422
where: short stacking energy: -133.808
Base-Backbone interact. energy: 1.076
local terms energy: -145.210861
where:
bonds (distance) C4'-P energy: -29.955
bonds (distance) P-C4' energy: -30.845
flat angles C4'-P-C4' energy: -32.335
flat angles P-C4'-P energy: -21.487
tors. eta vs tors. theta energy: -30.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -487.703519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.703519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.703519 (E_RNA)
where:
Base-Base interactions energy: -351.008
where: short stacking energy: -149.198
Base-Backbone interact. energy: -1.477
local terms energy: -135.218506
where:
bonds (distance) C4'-P energy: -20.426
bonds (distance) P-C4' energy: -35.299
flat angles C4'-P-C4' energy: -27.293
flat angles P-C4'-P energy: -15.820
tors. eta vs tors. theta energy: -36.380
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: 126
Temperature: 1.200000
Total energy: -382.972838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.972838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.972838 (E_RNA)
where:
Base-Base interactions energy: -235.497
where: short stacking energy: -124.083
Base-Backbone interact. energy: 0.006
local terms energy: -147.482277
where:
bonds (distance) C4'-P energy: -30.505
bonds (distance) P-C4' energy: -31.198
flat angles C4'-P-C4' energy: -32.838
flat angles P-C4'-P energy: -16.453
tors. eta vs tors. theta energy: -36.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -353.165520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.165520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.165520 (E_RNA)
where:
Base-Base interactions energy: -218.553
where: short stacking energy: -98.138
Base-Backbone interact. energy: -0.264
local terms energy: -134.348974
where:
bonds (distance) C4'-P energy: -33.986
bonds (distance) P-C4' energy: -27.043
flat angles C4'-P-C4' energy: -31.065
flat angles P-C4'-P energy: -21.537
tors. eta vs tors. theta energy: -20.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -243.417461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.417461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.417461 (E_RNA)
where:
Base-Base interactions energy: -130.373
where: short stacking energy: -75.459
Base-Backbone interact. energy: 1.779
local terms energy: -114.823586
where:
bonds (distance) C4'-P energy: -32.724
bonds (distance) P-C4' energy: -24.830
flat angles C4'-P-C4' energy: -35.424
flat angles P-C4'-P energy: -13.104
tors. eta vs tors. theta energy: -8.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -165.873260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.873260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.873260 (E_RNA)
where:
Base-Base interactions energy: -56.743
where: short stacking energy: -56.740
Base-Backbone interact. energy: 0.498
local terms energy: -109.627831
where:
bonds (distance) C4'-P energy: -27.437
bonds (distance) P-C4' energy: -34.943
flat angles C4'-P-C4' energy: -30.484
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -9.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -615.523870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.523870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.523870 (E_RNA)
where:
Base-Base interactions energy: -425.886
where: short stacking energy: -197.501
Base-Backbone interact. energy: -0.239
local terms energy: -189.398709
where:
bonds (distance) C4'-P energy: -32.030
bonds (distance) P-C4' energy: -33.668
flat angles C4'-P-C4' energy: -39.451
flat angles P-C4'-P energy: -27.961
tors. eta vs tors. theta energy: -56.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -593.811606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.811606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.811606 (E_RNA)
where:
Base-Base interactions energy: -420.259
where: short stacking energy: -184.856
Base-Backbone interact. energy: 1.957
local terms energy: -175.509623
where:
bonds (distance) C4'-P energy: -32.761
bonds (distance) P-C4' energy: -31.725
flat angles C4'-P-C4' energy: -39.916
flat angles P-C4'-P energy: -23.896
tors. eta vs tors. theta energy: -47.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -598.188093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.188093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.188093 (E_RNA)
where:
Base-Base interactions energy: -415.458
where: short stacking energy: -176.255
Base-Backbone interact. energy: -1.562
local terms energy: -181.167209
where:
bonds (distance) C4'-P energy: -35.802
bonds (distance) P-C4' energy: -35.375
flat angles C4'-P-C4' energy: -35.009
flat angles P-C4'-P energy: -25.363
tors. eta vs tors. theta energy: -49.619
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: 8
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -552.369615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.369615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.369615 (E_RNA)
where:
Base-Base interactions energy: -380.219
where: short stacking energy: -174.758
Base-Backbone interact. energy: 2.728
local terms energy: -174.878541
where:
bonds (distance) C4'-P energy: -35.631
bonds (distance) P-C4' energy: -39.445
flat angles C4'-P-C4' energy: -29.865
flat angles P-C4'-P energy: -21.276
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: 5, replica: 4
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -522.473361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.473361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.473361 (E_RNA)
where:
Base-Base interactions energy: -362.451
where: short stacking energy: -157.932
Base-Backbone interact. energy: -0.641
local terms energy: -159.382113
where:
bonds (distance) C4'-P energy: -29.235
bonds (distance) P-C4' energy: -33.636
flat angles C4'-P-C4' energy: -30.958
flat angles P-C4'-P energy: -22.548
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: 6, replica: 5
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -471.714563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.714563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.714563 (E_RNA)
where:
Base-Base interactions energy: -333.024
where: short stacking energy: -134.493
Base-Backbone interact. energy: 0.332
local terms energy: -139.022652
where:
bonds (distance) C4'-P energy: -27.024
bonds (distance) P-C4' energy: -24.930
flat angles C4'-P-C4' energy: -30.826
flat angles P-C4'-P energy: -26.998
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: 7, replica: 3
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -380.987382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.987382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.987382 (E_RNA)
where:
Base-Base interactions energy: -267.618
where: short stacking energy: -120.475
Base-Backbone interact. energy: -0.151
local terms energy: -113.218503
where:
bonds (distance) C4'-P energy: -21.020
bonds (distance) P-C4' energy: -32.432
flat angles C4'-P-C4' energy: -25.329
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -21.175
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: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -325.295025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.295025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.295025 (E_RNA)
where:
Base-Base interactions energy: -196.217
where: short stacking energy: -100.242
Base-Backbone interact. energy: -0.662
local terms energy: -128.415297
where:
bonds (distance) C4'-P energy: -28.779
bonds (distance) P-C4' energy: -22.026
flat angles C4'-P-C4' energy: -36.417
flat angles P-C4'-P energy: -19.637
tors. eta vs tors. theta energy: -21.556
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: 9, replica: 10
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -239.049038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.049038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.049038 (E_RNA)
where:
Base-Base interactions energy: -140.247
where: short stacking energy: -74.257
Base-Backbone interact. energy: 4.608
local terms energy: -103.410148
where:
bonds (distance) C4'-P energy: -24.046
bonds (distance) P-C4' energy: -35.105
flat angles C4'-P-C4' energy: -19.464
flat angles P-C4'-P energy: -19.018
tors. eta vs tors. theta energy: -5.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -159.828225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.828225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.828225 (E_RNA)
where:
Base-Base interactions energy: -65.310
where: short stacking energy: -64.031
Base-Backbone interact. energy: -1.661
local terms energy: -92.857413
where:
bonds (distance) C4'-P energy: -21.117
bonds (distance) P-C4' energy: -24.774
flat angles C4'-P-C4' energy: -29.707
flat angles P-C4'-P energy: -16.247
tors. eta vs tors. theta energy: -1.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -615.161578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.161578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.161578 (E_RNA)
where:
Base-Base interactions energy: -423.474
where: short stacking energy: -177.653
Base-Backbone interact. energy: -1.332
local terms energy: -190.356108
where:
bonds (distance) C4'-P energy: -36.861
bonds (distance) P-C4' energy: -37.991
flat angles C4'-P-C4' energy: -39.731
flat angles P-C4'-P energy: -28.067
tors. eta vs tors. theta energy: -47.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -594.625761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.625761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.625761 (E_RNA)
where:
Base-Base interactions energy: -411.558
where: short stacking energy: -182.129
Base-Backbone interact. energy: -0.316
local terms energy: -182.751507
where:
bonds (distance) C4'-P energy: -30.149
bonds (distance) P-C4' energy: -30.601
flat angles C4'-P-C4' energy: -39.582
flat angles P-C4'-P energy: -31.790
tors. eta vs tors. theta energy: -50.628
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: 3, replica: 1
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -582.590650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.590650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.590650 (E_RNA)
where:
Base-Base interactions energy: -400.347
where: short stacking energy: -156.999
Base-Backbone interact. energy: -0.502
local terms energy: -181.740862
where:
bonds (distance) C4'-P energy: -35.095
bonds (distance) P-C4' energy: -35.624
flat angles C4'-P-C4' energy: -39.058
flat angles P-C4'-P energy: -30.359
tors. eta vs tors. theta energy: -41.605
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: 128
Temperature: 1.050000
Total energy: -523.710485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.710485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.710485 (E_RNA)
where:
Base-Base interactions energy: -360.474
where: short stacking energy: -158.264
Base-Backbone interact. energy: -1.490
local terms energy: -161.747115
where:
bonds (distance) C4'-P energy: -23.618
bonds (distance) P-C4' energy: -29.037
flat angles C4'-P-C4' energy: -35.050
flat angles P-C4'-P energy: -25.808
tors. eta vs tors. theta energy: -48.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -485.978294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.978294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.978294 (E_RNA)
where:
Base-Base interactions energy: -324.741
where: short stacking energy: -136.263
Base-Backbone interact. energy: -1.027
local terms energy: -160.210047
where:
bonds (distance) C4'-P energy: -36.895
bonds (distance) P-C4' energy: -36.941
flat angles C4'-P-C4' energy: -34.243
flat angles P-C4'-P energy: -21.150
tors. eta vs tors. theta energy: -30.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -470.475449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.475449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.475449 (E_RNA)
where:
Base-Base interactions energy: -313.500
where: short stacking energy: -134.854
Base-Backbone interact. energy: 0.177
local terms energy: -157.152615
where:
bonds (distance) C4'-P energy: -35.793
bonds (distance) P-C4' energy: -35.261
flat angles C4'-P-C4' energy: -28.734
flat angles P-C4'-P energy: -22.835
tors. eta vs tors. theta energy: -34.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -361.784929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.784929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.784929 (E_RNA)
where:
Base-Base interactions energy: -211.591
where: short stacking energy: -108.106
Base-Backbone interact. energy: -2.529
local terms energy: -147.664105
where:
bonds (distance) C4'-P energy: -32.921
bonds (distance) P-C4' energy: -30.539
flat angles C4'-P-C4' energy: -31.903
flat angles P-C4'-P energy: -22.656
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: 8, replica: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -335.812009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.812009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.812009 (E_RNA)
where:
Base-Base interactions energy: -201.686
where: short stacking energy: -87.228
Base-Backbone interact. energy: -0.734
local terms energy: -133.391370
where:
bonds (distance) C4'-P energy: -28.720
bonds (distance) P-C4' energy: -31.896
flat angles C4'-P-C4' energy: -29.849
flat angles P-C4'-P energy: -23.554
tors. eta vs tors. theta energy: -19.372
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: 9, replica: 10
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -232.026523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.026523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.026523 (E_RNA)
where:
Base-Base interactions energy: -129.393
where: short stacking energy: -81.518
Base-Backbone interact. energy: -0.599
local terms energy: -102.034564
where:
bonds (distance) C4'-P energy: -30.118
bonds (distance) P-C4' energy: -32.085
flat angles C4'-P-C4' energy: -18.293
flat angles P-C4'-P energy: -14.777
tors. eta vs tors. theta energy: -6.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -171.374854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.374854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.374854 (E_RNA)
where:
Base-Base interactions energy: -62.634
where: short stacking energy: -54.042
Base-Backbone interact. energy: 0.407
local terms energy: -109.147874
where:
bonds (distance) C4'-P energy: -27.078
bonds (distance) P-C4' energy: -32.531
flat angles C4'-P-C4' energy: -21.535
flat angles P-C4'-P energy: -22.393
tors. eta vs tors. theta energy: -5.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -605.909456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.909456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.909456 (E_RNA)
where:
Base-Base interactions energy: -430.581
where: short stacking energy: -179.231
Base-Backbone interact. energy: -0.174
local terms energy: -175.154387
where:
bonds (distance) C4'-P energy: -27.816
bonds (distance) P-C4' energy: -35.599
flat angles C4'-P-C4' energy: -37.467
flat angles P-C4'-P energy: -26.727
tors. eta vs tors. theta energy: -47.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -603.335071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.335071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.335071 (E_RNA)
where:
Base-Base interactions energy: -410.148
where: short stacking energy: -186.349
Base-Backbone interact. energy: -0.119
local terms energy: -193.068562
where:
bonds (distance) C4'-P energy: -32.119
bonds (distance) P-C4' energy: -39.403
flat angles C4'-P-C4' energy: -40.667
flat angles P-C4'-P energy: -26.025
tors. eta vs tors. theta energy: -54.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -582.006718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.006718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.006718 (E_RNA)
where:
Base-Base interactions energy: -399.836
where: short stacking energy: -173.140
Base-Backbone interact. energy: -0.417
local terms energy: -181.753490
where:
bonds (distance) C4'-P energy: -37.873
bonds (distance) P-C4' energy: -37.250
flat angles C4'-P-C4' energy: -35.442
flat angles P-C4'-P energy: -26.412
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: 4, replica: 8
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -529.680664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.680664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.680664 (E_RNA)
where:
Base-Base interactions energy: -360.546
where: short stacking energy: -150.641
Base-Backbone interact. energy: -0.691
local terms energy: -168.443685
where:
bonds (distance) C4'-P energy: -29.045
bonds (distance) P-C4' energy: -33.290
flat angles C4'-P-C4' energy: -34.513
flat angles P-C4'-P energy: -24.617
tors. eta vs tors. theta energy: -46.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -521.680048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.680048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.680048 (E_RNA)
where:
Base-Base interactions energy: -377.016
where: short stacking energy: -154.705
Base-Backbone interact. energy: -0.981
local terms energy: -143.682588
where:
bonds (distance) C4'-P energy: -27.609
bonds (distance) P-C4' energy: -24.964
flat angles C4'-P-C4' energy: -33.312
flat angles P-C4'-P energy: -18.636
tors. eta vs tors. theta energy: -39.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -434.909836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.909836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.909836 (E_RNA)
where:
Base-Base interactions energy: -313.945
where: short stacking energy: -109.335
Base-Backbone interact. energy: -0.395
local terms energy: -120.569974
where:
bonds (distance) C4'-P energy: -31.927
bonds (distance) P-C4' energy: -28.656
flat angles C4'-P-C4' energy: -22.252
flat angles P-C4'-P energy: -14.139
tors. eta vs tors. theta energy: -23.596
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: 129
Temperature: 1.200000
Total energy: -351.747182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.747182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.747182 (E_RNA)
where:
Base-Base interactions energy: -219.051
where: short stacking energy: -98.675
Base-Backbone interact. energy: 0.016
local terms energy: -132.711782
where:
bonds (distance) C4'-P energy: -26.309
bonds (distance) P-C4' energy: -33.223
flat angles C4'-P-C4' energy: -36.082
flat angles P-C4'-P energy: -18.989
tors. eta vs tors. theta energy: -18.108
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: 6
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -351.947486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.947486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.947486 (E_RNA)
where:
Base-Base interactions energy: -210.288
where: short stacking energy: -104.374
Base-Backbone interact. energy: -0.221
local terms energy: -141.438185
where:
bonds (distance) C4'-P energy: -30.987
bonds (distance) P-C4' energy: -34.193
flat angles C4'-P-C4' energy: -26.737
flat angles P-C4'-P energy: -25.413
tors. eta vs tors. theta energy: -24.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -260.657832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.657832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.657832 (E_RNA)
where:
Base-Base interactions energy: -144.884
where: short stacking energy: -73.852
Base-Backbone interact. energy: -1.595
local terms energy: -114.178223
where:
bonds (distance) C4'-P energy: -31.199
bonds (distance) P-C4' energy: -24.097
flat angles C4'-P-C4' energy: -33.561
flat angles P-C4'-P energy: -18.680
tors. eta vs tors. theta energy: -6.641
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: 7
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -160.023614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.023614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.023614 (E_RNA)
where:
Base-Base interactions energy: -50.634
where: short stacking energy: -50.462
Base-Backbone interact. energy: -1.153
local terms energy: -108.236211
where:
bonds (distance) C4'-P energy: -27.964
bonds (distance) P-C4' energy: -34.686
flat angles C4'-P-C4' energy: -29.826
flat angles P-C4'-P energy: -21.480
tors. eta vs tors. theta energy: 5.721
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: 2
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -623.470179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.470179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.470179 (E_RNA)
where:
Base-Base interactions energy: -442.620
where: short stacking energy: -173.558
Base-Backbone interact. energy: -1.260
local terms energy: -179.590332
where:
bonds (distance) C4'-P energy: -35.144
bonds (distance) P-C4' energy: -30.111
flat angles C4'-P-C4' energy: -40.771
flat angles P-C4'-P energy: -26.433
tors. eta vs tors. theta energy: -47.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -596.865335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.865335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.865335 (E_RNA)
where:
Base-Base interactions energy: -410.897
where: short stacking energy: -191.838
Base-Backbone interact. energy: -0.005
local terms energy: -185.962864
where:
bonds (distance) C4'-P energy: -34.315
bonds (distance) P-C4' energy: -31.013
flat angles C4'-P-C4' energy: -39.687
flat angles P-C4'-P energy: -28.072
tors. eta vs tors. theta energy: -52.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -575.838282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.838282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.838282 (E_RNA)
where:
Base-Base interactions energy: -413.133
where: short stacking energy: -161.971
Base-Backbone interact. energy: -0.870
local terms energy: -161.834879
where:
bonds (distance) C4'-P energy: -28.110
bonds (distance) P-C4' energy: -33.245
flat angles C4'-P-C4' energy: -36.157
flat angles P-C4'-P energy: -25.517
tors. eta vs tors. theta energy: -38.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -529.226629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.226629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.226629 (E_RNA)
where:
Base-Base interactions energy: -353.390
where: short stacking energy: -150.648
Base-Backbone interact. energy: -1.406
local terms energy: -174.430466
where:
bonds (distance) C4'-P energy: -32.980
bonds (distance) P-C4' energy: -33.554
flat angles C4'-P-C4' energy: -32.328
flat angles P-C4'-P energy: -26.831
tors. eta vs tors. theta energy: -48.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -528.888693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.888693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.888693 (E_RNA)
where:
Base-Base interactions energy: -376.506
where: short stacking energy: -153.383
Base-Backbone interact. energy: 0.162
local terms energy: -152.544493
where:
bonds (distance) C4'-P energy: -30.424
bonds (distance) P-C4' energy: -33.046
flat angles C4'-P-C4' energy: -37.865
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -41.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -457.132336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.132336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.132336 (E_RNA)
where:
Base-Base interactions energy: -313.455
where: short stacking energy: -136.915
Base-Backbone interact. energy: -0.609
local terms energy: -143.067996
where:
bonds (distance) C4'-P energy: -25.928
bonds (distance) P-C4' energy: -30.532
flat angles C4'-P-C4' energy: -30.176
flat angles P-C4'-P energy: -19.907
tors. eta vs tors. theta energy: -36.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -358.554925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.554925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.554925 (E_RNA)
where:
Base-Base interactions energy: -226.443
where: short stacking energy: -108.175
Base-Backbone interact. energy: -1.160
local terms energy: -130.952451
where:
bonds (distance) C4'-P energy: -33.804
bonds (distance) P-C4' energy: -27.838
flat angles C4'-P-C4' energy: -29.266
flat angles P-C4'-P energy: -17.863
tors. eta vs tors. theta energy: -22.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -339.970693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.970693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.970693 (E_RNA)
where:
Base-Base interactions energy: -211.185
where: short stacking energy: -113.640
Base-Backbone interact. energy: -0.023
local terms energy: -128.762423
where:
bonds (distance) C4'-P energy: -20.747
bonds (distance) P-C4' energy: -30.121
flat angles C4'-P-C4' energy: -31.735
flat angles P-C4'-P energy: -17.512
tors. eta vs tors. theta energy: -28.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -168.068395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.068395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.068395 (E_RNA)
where:
Base-Base interactions energy: -82.926
where: short stacking energy: -52.453
Base-Backbone interact. energy: 0.545
local terms energy: -85.687371
where:
bonds (distance) C4'-P energy: -23.024
bonds (distance) P-C4' energy: -24.478
flat angles C4'-P-C4' energy: -26.247
flat angles P-C4'-P energy: -19.467
tors. eta vs tors. theta energy: 7.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -232.423878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.423878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.423878 (E_RNA)
where:
Base-Base interactions energy: -128.144
where: short stacking energy: -78.545
Base-Backbone interact. energy: -1.040
local terms energy: -103.240050
where:
bonds (distance) C4'-P energy: -29.007
bonds (distance) P-C4' energy: -30.990
flat angles C4'-P-C4' energy: -25.601
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -9.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -611.699486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.699486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.699486 (E_RNA)
where:
Base-Base interactions energy: -434.153
where: short stacking energy: -179.674
Base-Backbone interact. energy: -1.401
local terms energy: -176.145031
where:
bonds (distance) C4'-P energy: -30.519
bonds (distance) P-C4' energy: -39.903
flat angles C4'-P-C4' energy: -39.933
flat angles P-C4'-P energy: -23.376
tors. eta vs tors. theta energy: -42.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -599.694597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.694597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.694597 (E_RNA)
where:
Base-Base interactions energy: -429.021
where: short stacking energy: -180.290
Base-Backbone interact. energy: 1.274
local terms energy: -171.947259
where:
bonds (distance) C4'-P energy: -26.396
bonds (distance) P-C4' energy: -34.826
flat angles C4'-P-C4' energy: -39.497
flat angles P-C4'-P energy: -26.372
tors. eta vs tors. theta energy: -44.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -584.033651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.033651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.033651 (E_RNA)
where:
Base-Base interactions energy: -416.519
where: short stacking energy: -187.291
Base-Backbone interact. energy: -0.018
local terms energy: -167.496443
where:
bonds (distance) C4'-P energy: -30.601
bonds (distance) P-C4' energy: -26.204
flat angles C4'-P-C4' energy: -33.808
flat angles P-C4'-P energy: -22.943
tors. eta vs tors. theta energy: -53.941
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: 131
Temperature: 1.050000
Total energy: -543.126312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.126312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.126312 (E_RNA)
where:
Base-Base interactions energy: -363.572
where: short stacking energy: -161.581
Base-Backbone interact. energy: 0.645
local terms energy: -180.198910
where:
bonds (distance) C4'-P energy: -37.640
bonds (distance) P-C4' energy: -35.297
flat angles C4'-P-C4' energy: -37.874
flat angles P-C4'-P energy: -20.322
tors. eta vs tors. theta energy: -49.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -499.847787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.847787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.847787 (E_RNA)
where:
Base-Base interactions energy: -344.327
where: short stacking energy: -143.681
Base-Backbone interact. energy: -0.385
local terms energy: -155.135730
where:
bonds (distance) C4'-P energy: -30.933
bonds (distance) P-C4' energy: -33.167
flat angles C4'-P-C4' energy: -35.577
flat angles P-C4'-P energy: -21.940
tors. eta vs tors. theta energy: -33.519
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: 4
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -465.106864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.106864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.106864 (E_RNA)
where:
Base-Base interactions energy: -303.991
where: short stacking energy: -143.705
Base-Backbone interact. energy: 1.211
local terms energy: -162.326905
where:
bonds (distance) C4'-P energy: -36.899
bonds (distance) P-C4' energy: -33.651
flat angles C4'-P-C4' energy: -32.604
flat angles P-C4'-P energy: -20.494
tors. eta vs tors. theta energy: -38.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -354.747834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.747834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.747834 (E_RNA)
where:
Base-Base interactions energy: -221.174
where: short stacking energy: -110.040
Base-Backbone interact. energy: 0.728
local terms energy: -134.301302
where:
bonds (distance) C4'-P energy: -26.301
bonds (distance) P-C4' energy: -30.460
flat angles C4'-P-C4' energy: -31.882
flat angles P-C4'-P energy: -20.756
tors. eta vs tors. theta energy: -24.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -351.963912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.963912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.963912 (E_RNA)
where:
Base-Base interactions energy: -220.909
where: short stacking energy: -110.702
Base-Backbone interact. energy: -0.517
local terms energy: -130.538306
where:
bonds (distance) C4'-P energy: -27.689
bonds (distance) P-C4' energy: -32.835
flat angles C4'-P-C4' energy: -24.583
flat angles P-C4'-P energy: -22.769
tors. eta vs tors. theta energy: -22.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -163.751983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.751983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.751983 (E_RNA)
where:
Base-Base interactions energy: -71.805
where: short stacking energy: -68.618
Base-Backbone interact. energy: -0.745
local terms energy: -91.202483
where:
bonds (distance) C4'-P energy: -21.506
bonds (distance) P-C4' energy: -32.929
flat angles C4'-P-C4' energy: -27.270
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: 2.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -242.889309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.889309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.889309 (E_RNA)
where:
Base-Base interactions energy: -133.886
where: short stacking energy: -74.214
Base-Backbone interact. energy: -0.303
local terms energy: -108.699765
where:
bonds (distance) C4'-P energy: -31.259
bonds (distance) P-C4' energy: -30.366
flat angles C4'-P-C4' energy: -27.526
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -10.208
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: 132
Temperature: 0.900000
Total energy: -611.748178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.748178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.748178 (E_RNA)
where:
Base-Base interactions energy: -431.297
where: short stacking energy: -165.122
Base-Backbone interact. energy: -1.247
local terms energy: -179.203448
where:
bonds (distance) C4'-P energy: -30.385
bonds (distance) P-C4' energy: -38.521
flat angles C4'-P-C4' energy: -35.713
flat angles P-C4'-P energy: -28.875
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: 2, replica: 1
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -600.996477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.996477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.996477 (E_RNA)
where:
Base-Base interactions energy: -438.720
where: short stacking energy: -176.745
Base-Backbone interact. energy: 0.477
local terms energy: -162.752893
where:
bonds (distance) C4'-P energy: -33.292
bonds (distance) P-C4' energy: -26.294
flat angles C4'-P-C4' energy: -32.470
flat angles P-C4'-P energy: -22.675
tors. eta vs tors. theta energy: -48.022
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: 9
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -589.751584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.751584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.751584 (E_RNA)
where:
Base-Base interactions energy: -400.637
where: short stacking energy: -184.229
Base-Backbone interact. energy: -0.009
local terms energy: -189.105469
where:
bonds (distance) C4'-P energy: -32.745
bonds (distance) P-C4' energy: -35.224
flat angles C4'-P-C4' energy: -40.198
flat angles P-C4'-P energy: -24.429
tors. eta vs tors. theta energy: -56.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -554.465458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.465458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.465458 (E_RNA)
where:
Base-Base interactions energy: -383.791
where: short stacking energy: -175.957
Base-Backbone interact. energy: -0.247
local terms energy: -170.427386
where:
bonds (distance) C4'-P energy: -36.393
bonds (distance) P-C4' energy: -27.865
flat angles C4'-P-C4' energy: -35.492
flat angles P-C4'-P energy: -17.395
tors. eta vs tors. theta energy: -53.283
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: 5, replica: 4
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -480.964624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.964624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.964624 (E_RNA)
where:
Base-Base interactions energy: -318.521
where: short stacking energy: -143.363
Base-Backbone interact. energy: -0.505
local terms energy: -161.938342
where:
bonds (distance) C4'-P energy: -31.606
bonds (distance) P-C4' energy: -32.116
flat angles C4'-P-C4' energy: -37.465
flat angles P-C4'-P energy: -22.017
tors. eta vs tors. theta energy: -38.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -468.660829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.660829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.660829 (E_RNA)
where:
Base-Base interactions energy: -307.217
where: short stacking energy: -156.801
Base-Backbone interact. energy: -0.716
local terms energy: -160.728131
where:
bonds (distance) C4'-P energy: -30.271
bonds (distance) P-C4' energy: -30.205
flat angles C4'-P-C4' energy: -33.095
flat angles P-C4'-P energy: -23.995
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: 7, replica: 3
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -362.319633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.319633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.319633 (E_RNA)
where:
Base-Base interactions energy: -226.188
where: short stacking energy: -111.254
Base-Backbone interact. energy: -0.405
local terms energy: -135.726464
where:
bonds (distance) C4'-P energy: -30.180
bonds (distance) P-C4' energy: -28.716
flat angles C4'-P-C4' energy: -31.694
flat angles P-C4'-P energy: -24.031
tors. eta vs tors. theta energy: -21.106
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: 6
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -339.299204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.299204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.299204 (E_RNA)
where:
Base-Base interactions energy: -208.325
where: short stacking energy: -99.330
Base-Backbone interact. energy: 3.074
local terms energy: -134.047332
where:
bonds (distance) C4'-P energy: -32.564
bonds (distance) P-C4' energy: -22.909
flat angles C4'-P-C4' energy: -32.205
flat angles P-C4'-P energy: -22.740
tors. eta vs tors. theta energy: -23.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -235.153261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.153261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.153261 (E_RNA)
where:
Base-Base interactions energy: -138.475
where: short stacking energy: -70.508
Base-Backbone interact. energy: -0.940
local terms energy: -95.737555
where:
bonds (distance) C4'-P energy: -20.688
bonds (distance) P-C4' energy: -23.492
flat angles C4'-P-C4' energy: -30.488
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -10.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -151.406055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.406055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.406055 (E_RNA)
where:
Base-Base interactions energy: -56.870
where: short stacking energy: -45.178
Base-Backbone interact. energy: 1.789
local terms energy: -96.325728
where:
bonds (distance) C4'-P energy: -23.366
bonds (distance) P-C4' energy: -29.498
flat angles C4'-P-C4' energy: -28.404
flat angles P-C4'-P energy: -17.999
tors. eta vs tors. theta energy: 2.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -599.610903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.610903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.610903 (E_RNA)
where:
Base-Base interactions energy: -416.098
where: short stacking energy: -172.149
Base-Backbone interact. energy: -0.225
local terms energy: -183.288734
where:
bonds (distance) C4'-P energy: -33.218
bonds (distance) P-C4' energy: -38.227
flat angles C4'-P-C4' energy: -35.410
flat angles P-C4'-P energy: -29.409
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: 2, replica: 1
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -590.427745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.427745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.427745 (E_RNA)
where:
Base-Base interactions energy: -418.129
where: short stacking energy: -166.483
Base-Backbone interact. energy: 0.675
local terms energy: -172.973633
where:
bonds (distance) C4'-P energy: -30.568
bonds (distance) P-C4' energy: -34.045
flat angles C4'-P-C4' energy: -35.789
flat angles P-C4'-P energy: -28.211
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: 3, replica: 9
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -581.070116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.070116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.070116 (E_RNA)
where:
Base-Base interactions energy: -393.427
where: short stacking energy: -180.371
Base-Backbone interact. energy: 0.976
local terms energy: -188.619644
where:
bonds (distance) C4'-P energy: -31.012
bonds (distance) P-C4' energy: -35.385
flat angles C4'-P-C4' energy: -39.437
flat angles P-C4'-P energy: -31.685
tors. eta vs tors. theta energy: -51.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -541.767468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.767468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.767468 (E_RNA)
where:
Base-Base interactions energy: -364.092
where: short stacking energy: -157.049
Base-Backbone interact. energy: 0.376
local terms energy: -178.052097
where:
bonds (distance) C4'-P energy: -27.520
bonds (distance) P-C4' energy: -35.095
flat angles C4'-P-C4' energy: -39.155
flat angles P-C4'-P energy: -26.991
tors. eta vs tors. theta energy: -49.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -459.272639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.272639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.272639 (E_RNA)
where:
Base-Base interactions energy: -316.998
where: short stacking energy: -132.329
Base-Backbone interact. energy: -1.542
local terms energy: -140.732811
where:
bonds (distance) C4'-P energy: -34.211
bonds (distance) P-C4' energy: -24.309
flat angles C4'-P-C4' energy: -30.882
flat angles P-C4'-P energy: -21.604
tors. eta vs tors. theta energy: -29.726
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: 5
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -470.717833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.717833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.717833 (E_RNA)
where:
Base-Base interactions energy: -305.328
where: short stacking energy: -133.746
Base-Backbone interact. energy: -1.353
local terms energy: -164.036343
where:
bonds (distance) C4'-P energy: -36.431
bonds (distance) P-C4' energy: -39.457
flat angles C4'-P-C4' energy: -33.988
flat angles P-C4'-P energy: -20.676
tors. eta vs tors. theta energy: -33.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -351.483240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.483240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.483240 (E_RNA)
where:
Base-Base interactions energy: -218.716
where: short stacking energy: -121.469
Base-Backbone interact. energy: -0.238
local terms energy: -132.529232
where:
bonds (distance) C4'-P energy: -24.320
bonds (distance) P-C4' energy: -26.292
flat angles C4'-P-C4' energy: -31.544
flat angles P-C4'-P energy: -18.002
tors. eta vs tors. theta energy: -32.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -327.867511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.867511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.867511 (E_RNA)
where:
Base-Base interactions energy: -202.117
where: short stacking energy: -81.213
Base-Backbone interact. energy: -1.195
local terms energy: -124.555400
where:
bonds (distance) C4'-P energy: -37.515
bonds (distance) P-C4' energy: -27.519
flat angles C4'-P-C4' energy: -24.643
flat angles P-C4'-P energy: -19.382
tors. eta vs tors. theta energy: -15.498
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: 9, replica: 10
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -250.537103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.537103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.537103 (E_RNA)
where:
Base-Base interactions energy: -140.988
where: short stacking energy: -69.636
Base-Backbone interact. energy: 1.281
local terms energy: -110.830102
where:
bonds (distance) C4'-P energy: -33.147
bonds (distance) P-C4' energy: -24.942
flat angles C4'-P-C4' energy: -33.215
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -7.551
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: 7
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -164.556631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.556631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.556631 (E_RNA)
where:
Base-Base interactions energy: -55.659
where: short stacking energy: -55.659
Base-Backbone interact. energy: -0.513
local terms energy: -108.384747
where:
bonds (distance) C4'-P energy: -31.703
bonds (distance) P-C4' energy: -31.133
flat angles C4'-P-C4' energy: -29.157
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -4.935
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: 134
Temperature: 0.900000
Total energy: -614.908693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.908693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.908693 (E_RNA)
where:
Base-Base interactions energy: -434.322
where: short stacking energy: -172.045
Base-Backbone interact. energy: -0.649
local terms energy: -179.937908
where:
bonds (distance) C4'-P energy: -34.113
bonds (distance) P-C4' energy: -31.826
flat angles C4'-P-C4' energy: -39.186
flat angles P-C4'-P energy: -26.632
tors. eta vs tors. theta energy: -48.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -594.671068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.671068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.671068 (E_RNA)
where:
Base-Base interactions energy: -431.384
where: short stacking energy: -174.268
Base-Backbone interact. energy: -0.625
local terms energy: -162.661604
where:
bonds (distance) C4'-P energy: -33.872
bonds (distance) P-C4' energy: -33.386
flat angles C4'-P-C4' energy: -29.722
flat angles P-C4'-P energy: -22.904
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: 3, replica: 8
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -556.014876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.014876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.014876 (E_RNA)
where:
Base-Base interactions energy: -381.018
where: short stacking energy: -157.450
Base-Backbone interact. energy: -0.551
local terms energy: -174.446122
where:
bonds (distance) C4'-P energy: -37.930
bonds (distance) P-C4' energy: -25.696
flat angles C4'-P-C4' energy: -36.831
flat angles P-C4'-P energy: -29.139
tors. eta vs tors. theta energy: -44.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -566.807362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.807362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.807362 (E_RNA)
where:
Base-Base interactions energy: -383.314
where: short stacking energy: -173.966
Base-Backbone interact. energy: -0.103
local terms energy: -183.390761
where:
bonds (distance) C4'-P energy: -30.766
bonds (distance) P-C4' energy: -28.704
flat angles C4'-P-C4' energy: -41.270
flat angles P-C4'-P energy: -29.818
tors. eta vs tors. theta energy: -52.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -494.971307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.971307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.971307 (E_RNA)
where:
Base-Base interactions energy: -352.195
where: short stacking energy: -127.630
Base-Backbone interact. energy: 0.032
local terms energy: -142.808725
where:
bonds (distance) C4'-P energy: -27.438
bonds (distance) P-C4' energy: -33.686
flat angles C4'-P-C4' energy: -27.698
flat angles P-C4'-P energy: -25.206
tors. eta vs tors. theta energy: -28.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -498.249065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.249065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.249065 (E_RNA)
where:
Base-Base interactions energy: -335.233
where: short stacking energy: -136.811
Base-Backbone interact. energy: 0.718
local terms energy: -163.733555
where:
bonds (distance) C4'-P energy: -30.980
bonds (distance) P-C4' energy: -32.074
flat angles C4'-P-C4' energy: -34.493
flat angles P-C4'-P energy: -28.834
tors. eta vs tors. theta energy: -37.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -352.693955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.693955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.693955 (E_RNA)
where:
Base-Base interactions energy: -213.903
where: short stacking energy: -96.326
Base-Backbone interact. energy: 0.032
local terms energy: -138.822714
where:
bonds (distance) C4'-P energy: -31.000
bonds (distance) P-C4' energy: -30.635
flat angles C4'-P-C4' energy: -29.173
flat angles P-C4'-P energy: -22.502
tors. eta vs tors. theta energy: -25.512
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: 6
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -335.723301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.723301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.723301 (E_RNA)
where:
Base-Base interactions energy: -217.423
where: short stacking energy: -108.538
Base-Backbone interact. energy: 0.136
local terms energy: -118.436386
where:
bonds (distance) C4'-P energy: -22.009
bonds (distance) P-C4' energy: -30.266
flat angles C4'-P-C4' energy: -34.416
flat angles P-C4'-P energy: -15.095
tors. eta vs tors. theta energy: -16.652
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: 9, replica: 10
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -237.895536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.895536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.895536 (E_RNA)
where:
Base-Base interactions energy: -121.472
where: short stacking energy: -76.384
Base-Backbone interact. energy: 0.379
local terms energy: -116.802639
where:
bonds (distance) C4'-P energy: -27.551
bonds (distance) P-C4' energy: -31.685
flat angles C4'-P-C4' energy: -27.955
flat angles P-C4'-P energy: -22.555
tors. eta vs tors. theta energy: -7.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -160.170162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.170162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.170162 (E_RNA)
where:
Base-Base interactions energy: -58.471
where: short stacking energy: -53.860
Base-Backbone interact. energy: 2.901
local terms energy: -104.600528
where:
bonds (distance) C4'-P energy: -28.495
bonds (distance) P-C4' energy: -29.981
flat angles C4'-P-C4' energy: -25.358
flat angles P-C4'-P energy: -19.027
tors. eta vs tors. theta energy: -1.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -607.911495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.911495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.911495 (E_RNA)
where:
Base-Base interactions energy: -426.010
where: short stacking energy: -179.234
Base-Backbone interact. energy: -0.428
local terms energy: -181.474270
where:
bonds (distance) C4'-P energy: -37.176
bonds (distance) P-C4' energy: -37.137
flat angles C4'-P-C4' energy: -36.582
flat angles P-C4'-P energy: -25.199
tors. eta vs tors. theta energy: -45.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -600.497160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.497160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.497160 (E_RNA)
where:
Base-Base interactions energy: -429.934
where: short stacking energy: -173.177
Base-Backbone interact. energy: -0.841
local terms energy: -169.721800
where:
bonds (distance) C4'-P energy: -30.761
bonds (distance) P-C4' energy: -32.630
flat angles C4'-P-C4' energy: -38.130
flat angles P-C4'-P energy: -26.269
tors. eta vs tors. theta energy: -41.931
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: 3, replica: 8
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -544.964920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.964920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.964920 (E_RNA)
where:
Base-Base interactions energy: -375.957
where: short stacking energy: -163.521
Base-Backbone interact. energy: -0.002
local terms energy: -169.006166
where:
bonds (distance) C4'-P energy: -31.785
bonds (distance) P-C4' energy: -28.130
flat angles C4'-P-C4' energy: -37.994
flat angles P-C4'-P energy: -23.721
tors. eta vs tors. theta energy: -47.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -567.046707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.046707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.046707 (E_RNA)
where:
Base-Base interactions energy: -388.277
where: short stacking energy: -183.633
Base-Backbone interact. energy: -0.092
local terms energy: -178.678016
where:
bonds (distance) C4'-P energy: -29.767
bonds (distance) P-C4' energy: -33.328
flat angles C4'-P-C4' energy: -34.924
flat angles P-C4'-P energy: -24.961
tors. eta vs tors. theta energy: -55.699
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: 5
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -487.870162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.870162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.870162 (E_RNA)
where:
Base-Base interactions energy: -335.531
where: short stacking energy: -161.467
Base-Backbone interact. energy: -0.163
local terms energy: -152.176135
where:
bonds (distance) C4'-P energy: -26.656
bonds (distance) P-C4' energy: -29.488
flat angles C4'-P-C4' energy: -36.411
flat angles P-C4'-P energy: -20.252
tors. eta vs tors. theta energy: -39.370
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: 6, replica: 4
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -510.810125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.810125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.810125 (E_RNA)
where:
Base-Base interactions energy: -362.656
where: short stacking energy: -156.837
Base-Backbone interact. energy: -0.579
local terms energy: -147.575017
where:
bonds (distance) C4'-P energy: -37.671
bonds (distance) P-C4' energy: -20.997
flat angles C4'-P-C4' energy: -28.912
flat angles P-C4'-P energy: -19.109
tors. eta vs tors. theta energy: -40.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -363.423389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.423389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.423389 (E_RNA)
where:
Base-Base interactions energy: -240.308
where: short stacking energy: -116.389
Base-Backbone interact. energy: 3.259
local terms energy: -126.374163
where:
bonds (distance) C4'-P energy: -24.903
bonds (distance) P-C4' energy: -32.320
flat angles C4'-P-C4' energy: -29.351
flat angles P-C4'-P energy: -16.562
tors. eta vs tors. theta energy: -23.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -347.157374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.157374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.157374 (E_RNA)
where:
Base-Base interactions energy: -218.681
where: short stacking energy: -104.991
Base-Backbone interact. energy: 0.236
local terms energy: -128.712345
where:
bonds (distance) C4'-P energy: -29.680
bonds (distance) P-C4' energy: -33.634
flat angles C4'-P-C4' energy: -29.722
flat angles P-C4'-P energy: -23.617
tors. eta vs tors. theta energy: -12.060
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: 10
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -262.442384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.442384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.442384 (E_RNA)
where:
Base-Base interactions energy: -157.271
where: short stacking energy: -88.486
Base-Backbone interact. energy: -0.889
local terms energy: -104.282210
where:
bonds (distance) C4'-P energy: -31.417
bonds (distance) P-C4' energy: -21.618
flat angles C4'-P-C4' energy: -21.210
flat angles P-C4'-P energy: -19.053
tors. eta vs tors. theta energy: -10.985
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: 10, replica: 7
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -182.809300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.809300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.809300 (E_RNA)
where:
Base-Base interactions energy: -73.208
where: short stacking energy: -72.559
Base-Backbone interact. energy: -0.155
local terms energy: -109.447155
where:
bonds (distance) C4'-P energy: -29.298
bonds (distance) P-C4' energy: -22.890
flat angles C4'-P-C4' energy: -32.697
flat angles P-C4'-P energy: -17.249
tors. eta vs tors. theta energy: -7.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -622.410192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.410192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.410192 (E_RNA)
where:
Base-Base interactions energy: -437.891
where: short stacking energy: -179.860
Base-Backbone interact. energy: -1.588
local terms energy: -182.931584
where:
bonds (distance) C4'-P energy: -31.774
bonds (distance) P-C4' energy: -34.673
flat angles C4'-P-C4' energy: -42.522
flat angles P-C4'-P energy: -27.027
tors. eta vs tors. theta energy: -46.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -594.060383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.060383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.060383 (E_RNA)
where:
Base-Base interactions energy: -423.978
where: short stacking energy: -170.122
Base-Backbone interact. energy: -1.619
local terms energy: -168.464041
where:
bonds (distance) C4'-P energy: -30.888
bonds (distance) P-C4' energy: -33.835
flat angles C4'-P-C4' energy: -35.877
flat angles P-C4'-P energy: -23.684
tors. eta vs tors. theta energy: -44.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -587.962277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.962277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.962277 (E_RNA)
where:
Base-Base interactions energy: -386.522
where: short stacking energy: -168.909
Base-Backbone interact. energy: -0.602
local terms energy: -200.838142
where:
bonds (distance) C4'-P energy: -38.422
bonds (distance) P-C4' energy: -38.138
flat angles C4'-P-C4' energy: -38.183
flat angles P-C4'-P energy: -28.900
tors. eta vs tors. theta energy: -57.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -528.651449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.651449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.651449 (E_RNA)
where:
Base-Base interactions energy: -367.387
where: short stacking energy: -147.466
Base-Backbone interact. energy: -0.361
local terms energy: -160.903103
where:
bonds (distance) C4'-P energy: -33.512
bonds (distance) P-C4' energy: -28.124
flat angles C4'-P-C4' energy: -37.554
flat angles P-C4'-P energy: -21.710
tors. eta vs tors. theta energy: -40.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -526.574894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.574894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.574894 (E_RNA)
where:
Base-Base interactions energy: -373.594
where: short stacking energy: -161.459
Base-Backbone interact. energy: 1.290
local terms energy: -154.271133
where:
bonds (distance) C4'-P energy: -24.108
bonds (distance) P-C4' energy: -31.413
flat angles C4'-P-C4' energy: -33.506
flat angles P-C4'-P energy: -19.268
tors. eta vs tors. theta energy: -45.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -468.657292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.657292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.657292 (E_RNA)
where:
Base-Base interactions energy: -335.772
where: short stacking energy: -140.940
Base-Backbone interact. energy: -0.386
local terms energy: -132.499353
where:
bonds (distance) C4'-P energy: -26.690
bonds (distance) P-C4' energy: -21.474
flat angles C4'-P-C4' energy: -31.693
flat angles P-C4'-P energy: -21.639
tors. eta vs tors. theta energy: -31.003
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: 3
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -382.559058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.559058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.559058 (E_RNA)
where:
Base-Base interactions energy: -249.259
where: short stacking energy: -126.447
Base-Backbone interact. energy: -0.372
local terms energy: -132.928816
where:
bonds (distance) C4'-P energy: -28.120
bonds (distance) P-C4' energy: -36.163
flat angles C4'-P-C4' energy: -22.784
flat angles P-C4'-P energy: -16.933
tors. eta vs tors. theta energy: -28.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -347.227069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.227069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.227069 (E_RNA)
where:
Base-Base interactions energy: -221.805
where: short stacking energy: -115.082
Base-Backbone interact. energy: -1.095
local terms energy: -124.327319
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -33.996
flat angles C4'-P-C4' energy: -35.748
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: -26.318
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: 7
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -196.791436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.791436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.791436 (E_RNA)
where:
Base-Base interactions energy: -100.055
where: short stacking energy: -65.671
Base-Backbone interact. energy: 0.100
local terms energy: -96.836301
where:
bonds (distance) C4'-P energy: -34.537
bonds (distance) P-C4' energy: -33.805
flat angles C4'-P-C4' energy: -17.704
flat angles P-C4'-P energy: -14.570
tors. eta vs tors. theta energy: 3.779
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: 10
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -223.008954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.008954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.008954 (E_RNA)
where:
Base-Base interactions energy: -113.851
where: short stacking energy: -60.036
Base-Backbone interact. energy: -0.297
local terms energy: -108.861018
where:
bonds (distance) C4'-P energy: -29.605
bonds (distance) P-C4' energy: -29.096
flat angles C4'-P-C4' energy: -27.255
flat angles P-C4'-P energy: -23.313
tors. eta vs tors. theta energy: 0.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -607.183035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.183035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.183035 (E_RNA)
where:
Base-Base interactions energy: -423.266
where: short stacking energy: -177.155
Base-Backbone interact. energy: -0.331
local terms energy: -183.585875
where:
bonds (distance) C4'-P energy: -30.837
bonds (distance) P-C4' energy: -37.473
flat angles C4'-P-C4' energy: -41.065
flat angles P-C4'-P energy: -24.121
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: 2, replica: 2
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -598.501186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.501186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.501186 (E_RNA)
where:
Base-Base interactions energy: -420.987
where: short stacking energy: -174.848
Base-Backbone interact. energy: 1.527
local terms energy: -179.041661
where:
bonds (distance) C4'-P energy: -35.798
bonds (distance) P-C4' energy: -33.534
flat angles C4'-P-C4' energy: -37.222
flat angles P-C4'-P energy: -24.381
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: 3, replica: 9
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -587.765945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.765945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.765945 (E_RNA)
where:
Base-Base interactions energy: -407.306
where: short stacking energy: -182.442
Base-Backbone interact. energy: -0.186
local terms energy: -180.273976
where:
bonds (distance) C4'-P energy: -28.691
bonds (distance) P-C4' energy: -31.075
flat angles C4'-P-C4' energy: -38.882
flat angles P-C4'-P energy: -30.489
tors. eta vs tors. theta energy: -51.137
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: 137
Temperature: 1.050000
Total energy: -514.838618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.838618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.838618 (E_RNA)
where:
Base-Base interactions energy: -359.897
where: short stacking energy: -163.465
Base-Backbone interact. energy: -0.340
local terms energy: -154.601586
where:
bonds (distance) C4'-P energy: -34.774
bonds (distance) P-C4' energy: -25.766
flat angles C4'-P-C4' energy: -33.884
flat angles P-C4'-P energy: -19.820
tors. eta vs tors. theta energy: -40.357
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: 4
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -537.425550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.425550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.425550 (E_RNA)
where:
Base-Base interactions energy: -366.885
where: short stacking energy: -163.435
Base-Backbone interact. energy: -0.159
local terms energy: -170.381812
where:
bonds (distance) C4'-P energy: -35.822
bonds (distance) P-C4' energy: -32.036
flat angles C4'-P-C4' energy: -34.340
flat angles P-C4'-P energy: -24.340
tors. eta vs tors. theta energy: -43.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -455.523244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.523244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.523244 (E_RNA)
where:
Base-Base interactions energy: -300.903
where: short stacking energy: -129.698
Base-Backbone interact. energy: -1.080
local terms energy: -153.540178
where:
bonds (distance) C4'-P energy: -32.679
bonds (distance) P-C4' energy: -32.727
flat angles C4'-P-C4' energy: -33.367
flat angles P-C4'-P energy: -24.701
tors. eta vs tors. theta energy: -30.067
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: 3
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -392.995445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.995445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.995445 (E_RNA)
where:
Base-Base interactions energy: -247.477
where: short stacking energy: -122.420
Base-Backbone interact. energy: 0.204
local terms energy: -145.722191
where:
bonds (distance) C4'-P energy: -30.299
bonds (distance) P-C4' energy: -36.082
flat angles C4'-P-C4' energy: -28.677
flat angles P-C4'-P energy: -21.826
tors. eta vs tors. theta energy: -28.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -398.912686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.912686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.912686 (E_RNA)
where:
Base-Base interactions energy: -271.303
where: short stacking energy: -120.554
Base-Backbone interact. energy: 0.265
local terms energy: -127.875523
where:
bonds (distance) C4'-P energy: -22.100
bonds (distance) P-C4' energy: -37.609
flat angles C4'-P-C4' energy: -32.002
flat angles P-C4'-P energy: -17.679
tors. eta vs tors. theta energy: -18.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -201.005819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.005819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.005819 (E_RNA)
where:
Base-Base interactions energy: -92.672
where: short stacking energy: -59.198
Base-Backbone interact. energy: -0.038
local terms energy: -108.295833
where:
bonds (distance) C4'-P energy: -30.211
bonds (distance) P-C4' energy: -32.606
flat angles C4'-P-C4' energy: -30.877
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: -0.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -237.802668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.802668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.802668 (E_RNA)
where:
Base-Base interactions energy: -126.955
where: short stacking energy: -68.881
Base-Backbone interact. energy: -0.506
local terms energy: -110.341523
where:
bonds (distance) C4'-P energy: -30.257
bonds (distance) P-C4' energy: -28.190
flat angles C4'-P-C4' energy: -28.415
flat angles P-C4'-P energy: -13.558
tors. eta vs tors. theta energy: -9.922
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: 2
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -618.295984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.295984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.295984 (E_RNA)
where:
Base-Base interactions energy: -432.676
where: short stacking energy: -176.611
Base-Backbone interact. energy: -3.126
local terms energy: -182.494363
where:
bonds (distance) C4'-P energy: -39.034
bonds (distance) P-C4' energy: -30.283
flat angles C4'-P-C4' energy: -36.192
flat angles P-C4'-P energy: -25.293
tors. eta vs tors. theta energy: -51.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -595.159125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.159125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.159125 (E_RNA)
where:
Base-Base interactions energy: -419.839
where: short stacking energy: -153.086
Base-Backbone interact. energy: -2.111
local terms energy: -173.208772
where:
bonds (distance) C4'-P energy: -31.307
bonds (distance) P-C4' energy: -39.827
flat angles C4'-P-C4' energy: -35.792
flat angles P-C4'-P energy: -22.696
tors. eta vs tors. theta energy: -43.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -586.596200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.596200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.596200 (E_RNA)
where:
Base-Base interactions energy: -403.186
where: short stacking energy: -183.459
Base-Backbone interact. energy: -0.003
local terms energy: -183.407840
where:
bonds (distance) C4'-P energy: -33.753
bonds (distance) P-C4' energy: -34.588
flat angles C4'-P-C4' energy: -38.062
flat angles P-C4'-P energy: -22.638
tors. eta vs tors. theta energy: -54.367
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: 8
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -511.737012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.737012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.737012 (E_RNA)
where:
Base-Base interactions energy: -337.885
where: short stacking energy: -159.166
Base-Backbone interact. energy: -1.176
local terms energy: -172.675430
where:
bonds (distance) C4'-P energy: -33.199
bonds (distance) P-C4' energy: -27.683
flat angles C4'-P-C4' energy: -37.273
flat angles P-C4'-P energy: -29.672
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: 5, replica: 4
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -506.679133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.679133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.679133 (E_RNA)
where:
Base-Base interactions energy: -337.924
where: short stacking energy: -154.705
Base-Backbone interact. energy: -0.750
local terms energy: -168.005273
where:
bonds (distance) C4'-P energy: -33.371
bonds (distance) P-C4' energy: -35.261
flat angles C4'-P-C4' energy: -35.861
flat angles P-C4'-P energy: -23.467
tors. eta vs tors. theta energy: -40.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -439.801179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.801179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.801179 (E_RNA)
where:
Base-Base interactions energy: -276.054
where: short stacking energy: -127.877
Base-Backbone interact. energy: -1.055
local terms energy: -162.692405
where:
bonds (distance) C4'-P energy: -33.845
bonds (distance) P-C4' energy: -33.361
flat angles C4'-P-C4' energy: -33.016
flat angles P-C4'-P energy: -25.361
tors. eta vs tors. theta energy: -37.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -420.384142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.384142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.384142 (E_RNA)
where:
Base-Base interactions energy: -279.928
where: short stacking energy: -120.796
Base-Backbone interact. energy: -1.252
local terms energy: -139.203971
where:
bonds (distance) C4'-P energy: -28.028
bonds (distance) P-C4' energy: -32.835
flat angles C4'-P-C4' energy: -29.837
flat angles P-C4'-P energy: -25.022
tors. eta vs tors. theta energy: -23.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -404.720045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.720045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.720045 (E_RNA)
where:
Base-Base interactions energy: -265.012
where: short stacking energy: -140.599
Base-Backbone interact. energy: -0.322
local terms energy: -139.385845
where:
bonds (distance) C4'-P energy: -33.165
bonds (distance) P-C4' energy: -26.027
flat angles C4'-P-C4' energy: -24.166
flat angles P-C4'-P energy: -21.410
tors. eta vs tors. theta energy: -34.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -231.841476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.841476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.841476 (E_RNA)
where:
Base-Base interactions energy: -124.959
where: short stacking energy: -66.354
Base-Backbone interact. energy: -0.709
local terms energy: -106.173719
where:
bonds (distance) C4'-P energy: -29.777
bonds (distance) P-C4' energy: -22.965
flat angles C4'-P-C4' energy: -28.941
flat angles P-C4'-P energy: -15.168
tors. eta vs tors. theta energy: -9.323
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: 7
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -179.245148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.245148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.245148 (E_RNA)
where:
Base-Base interactions energy: -83.544
where: short stacking energy: -49.339
Base-Backbone interact. energy: -1.206
local terms energy: -94.494835
where:
bonds (distance) C4'-P energy: -27.799
bonds (distance) P-C4' energy: -23.819
flat angles C4'-P-C4' energy: -24.041
flat angles P-C4'-P energy: -17.551
tors. eta vs tors. theta energy: -1.284
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: 139
Temperature: 0.900000
Total energy: -621.223213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.223213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.223213 (E_RNA)
where:
Base-Base interactions energy: -432.592
where: short stacking energy: -179.858
Base-Backbone interact. energy: -0.236
local terms energy: -188.394404
where:
bonds (distance) C4'-P energy: -32.668
bonds (distance) P-C4' energy: -38.553
flat angles C4'-P-C4' energy: -39.097
flat angles P-C4'-P energy: -27.847
tors. eta vs tors. theta energy: -50.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -603.840418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.840418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.840418 (E_RNA)
where:
Base-Base interactions energy: -415.898
where: short stacking energy: -185.074
Base-Backbone interact. energy: 2.145
local terms energy: -190.087190
where:
bonds (distance) C4'-P energy: -33.332
bonds (distance) P-C4' energy: -32.748
flat angles C4'-P-C4' energy: -41.134
flat angles P-C4'-P energy: -29.914
tors. eta vs tors. theta energy: -52.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -600.958000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.958000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.958000 (E_RNA)
where:
Base-Base interactions energy: -419.612
where: short stacking energy: -154.546
Base-Backbone interact. energy: -3.349
local terms energy: -177.996763
where:
bonds (distance) C4'-P energy: -29.091
bonds (distance) P-C4' energy: -39.012
flat angles C4'-P-C4' energy: -36.391
flat angles P-C4'-P energy: -26.926
tors. eta vs tors. theta energy: -46.577
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: 4
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -542.111887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.111887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.111887 (E_RNA)
where:
Base-Base interactions energy: -379.741
where: short stacking energy: -159.261
Base-Backbone interact. energy: -0.603
local terms energy: -161.767481
where:
bonds (distance) C4'-P energy: -31.315
bonds (distance) P-C4' energy: -29.204
flat angles C4'-P-C4' energy: -36.277
flat angles P-C4'-P energy: -18.037
tors. eta vs tors. theta energy: -46.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -496.998511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.998511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.998511 (E_RNA)
where:
Base-Base interactions energy: -339.870
where: short stacking energy: -146.807
Base-Backbone interact. energy: -0.534
local terms energy: -156.595350
where:
bonds (distance) C4'-P energy: -31.335
bonds (distance) P-C4' energy: -29.702
flat angles C4'-P-C4' energy: -38.792
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -44.057
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: 5
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -481.189414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.189414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.189414 (E_RNA)
where:
Base-Base interactions energy: -329.104
where: short stacking energy: -143.070
Base-Backbone interact. energy: -1.104
local terms energy: -150.980999
where:
bonds (distance) C4'-P energy: -35.546
bonds (distance) P-C4' energy: -36.155
flat angles C4'-P-C4' energy: -30.721
flat angles P-C4'-P energy: -14.295
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: 7, replica: 6
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -419.767188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.767188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.767188 (E_RNA)
where:
Base-Base interactions energy: -302.123
where: short stacking energy: -125.808
Base-Backbone interact. energy: 3.772
local terms energy: -121.416180
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -31.431
flat angles C4'-P-C4' energy: -33.081
flat angles P-C4'-P energy: -17.194
tors. eta vs tors. theta energy: -23.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -362.764679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.764679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.764679 (E_RNA)
where:
Base-Base interactions energy: -232.847
where: short stacking energy: -115.414
Base-Backbone interact. energy: -0.600
local terms energy: -129.317453
where:
bonds (distance) C4'-P energy: -31.034
bonds (distance) P-C4' energy: -28.064
flat angles C4'-P-C4' energy: -30.091
flat angles P-C4'-P energy: -16.653
tors. eta vs tors. theta energy: -23.475
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: 10
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -236.883717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.883717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.883717 (E_RNA)
where:
Base-Base interactions energy: -126.493
where: short stacking energy: -53.162
Base-Backbone interact. energy: -0.742
local terms energy: -109.648421
where:
bonds (distance) C4'-P energy: -30.624
bonds (distance) P-C4' energy: -34.171
flat angles C4'-P-C4' energy: -31.326
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -2.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -155.799270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.799270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.799270 (E_RNA)
where:
Base-Base interactions energy: -53.376
where: short stacking energy: -33.159
Base-Backbone interact. energy: -0.367
local terms energy: -102.057159
where:
bonds (distance) C4'-P energy: -24.997
bonds (distance) P-C4' energy: -31.666
flat angles C4'-P-C4' energy: -28.746
flat angles P-C4'-P energy: -21.519
tors. eta vs tors. theta energy: 4.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -610.697065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.697065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.697065 (E_RNA)
where:
Base-Base interactions energy: -411.187
where: short stacking energy: -185.930
Base-Backbone interact. energy: -1.237
local terms energy: -198.273148
where:
bonds (distance) C4'-P energy: -36.914
bonds (distance) P-C4' energy: -39.894
flat angles C4'-P-C4' energy: -39.680
flat angles P-C4'-P energy: -27.412
tors. eta vs tors. theta energy: -54.374
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: 2, replica: 2
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -596.521284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.521284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.521284 (E_RNA)
where:
Base-Base interactions energy: -434.999
where: short stacking energy: -166.508
Base-Backbone interact. energy: 0.783
local terms energy: -162.306184
where:
bonds (distance) C4'-P energy: -31.791
bonds (distance) P-C4' energy: -21.562
flat angles C4'-P-C4' energy: -40.396
flat angles P-C4'-P energy: -22.992
tors. eta vs tors. theta energy: -45.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -585.549682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.549682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.549682 (E_RNA)
where:
Base-Base interactions energy: -416.193
where: short stacking energy: -168.215
Base-Backbone interact. energy: -2.070
local terms energy: -167.286325
where:
bonds (distance) C4'-P energy: -23.956
bonds (distance) P-C4' energy: -39.241
flat angles C4'-P-C4' energy: -32.917
flat angles P-C4'-P energy: -23.325
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: 4
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -529.526171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.526171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.526171 (E_RNA)
where:
Base-Base interactions energy: -388.631
where: short stacking energy: -155.447
Base-Backbone interact. energy: -1.853
local terms energy: -139.041702
where:
bonds (distance) C4'-P energy: -27.679
bonds (distance) P-C4' energy: -34.229
flat angles C4'-P-C4' energy: -22.527
flat angles P-C4'-P energy: -17.371
tors. eta vs tors. theta energy: -37.236
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: 140
Temperature: 1.100000
Total energy: -507.215273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.215273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.215273 (E_RNA)
where:
Base-Base interactions energy: -339.730
where: short stacking energy: -154.338
Base-Backbone interact. energy: -1.019
local terms energy: -166.465832
where:
bonds (distance) C4'-P energy: -22.505
bonds (distance) P-C4' energy: -35.665
flat angles C4'-P-C4' energy: -38.545
flat angles P-C4'-P energy: -25.475
tors. eta vs tors. theta energy: -44.275
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: 5
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -502.743529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.743529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.743529 (E_RNA)
where:
Base-Base interactions energy: -335.086
where: short stacking energy: -145.134
Base-Backbone interact. energy: -0.208
local terms energy: -167.449616
where:
bonds (distance) C4'-P energy: -32.448
bonds (distance) P-C4' energy: -33.777
flat angles C4'-P-C4' energy: -34.835
flat angles P-C4'-P energy: -24.121
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: 7, replica: 6
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -412.996879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.996879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.996879 (E_RNA)
where:
Base-Base interactions energy: -275.717
where: short stacking energy: -129.952
Base-Backbone interact. energy: -1.031
local terms energy: -136.248998
where:
bonds (distance) C4'-P energy: -30.531
bonds (distance) P-C4' energy: -35.430
flat angles C4'-P-C4' energy: -32.320
flat angles P-C4'-P energy: -17.647
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: 3
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -367.786018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.786018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.786018 (E_RNA)
where:
Base-Base interactions energy: -228.183
where: short stacking energy: -105.816
Base-Backbone interact. energy: 0.162
local terms energy: -139.765730
where:
bonds (distance) C4'-P energy: -28.791
bonds (distance) P-C4' energy: -28.847
flat angles C4'-P-C4' energy: -33.888
flat angles P-C4'-P energy: -21.911
tors. eta vs tors. theta energy: -26.329
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: 10
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -242.438075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.438075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.438075 (E_RNA)
where:
Base-Base interactions energy: -148.146
where: short stacking energy: -94.119
Base-Backbone interact. energy: -0.352
local terms energy: -93.940405
where:
bonds (distance) C4'-P energy: -26.309
bonds (distance) P-C4' energy: -24.642
flat angles C4'-P-C4' energy: -25.860
flat angles P-C4'-P energy: -13.600
tors. eta vs tors. theta energy: -3.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -158.679596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.679596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.679596 (E_RNA)
where:
Base-Base interactions energy: -58.722
where: short stacking energy: -40.718
Base-Backbone interact. energy: -0.200
local terms energy: -99.757186
where:
bonds (distance) C4'-P energy: -29.598
bonds (distance) P-C4' energy: -24.988
flat angles C4'-P-C4' energy: -24.707
flat angles P-C4'-P energy: -17.377
tors. eta vs tors. theta energy: -3.087
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: 9
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -612.440131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.440131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.440131 (E_RNA)
where:
Base-Base interactions energy: -420.636
where: short stacking energy: -183.066
Base-Backbone interact. energy: -0.196
local terms energy: -191.607697
where:
bonds (distance) C4'-P energy: -33.198
bonds (distance) P-C4' energy: -36.835
flat angles C4'-P-C4' energy: -41.401
flat angles P-C4'-P energy: -27.246
tors. eta vs tors. theta energy: -52.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -604.634594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.634594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.634594 (E_RNA)
where:
Base-Base interactions energy: -428.964
where: short stacking energy: -180.803
Base-Backbone interact. energy: -1.513
local terms energy: -174.157423
where:
bonds (distance) C4'-P energy: -26.817
bonds (distance) P-C4' energy: -36.796
flat angles C4'-P-C4' energy: -38.457
flat angles P-C4'-P energy: -21.117
tors. eta vs tors. theta energy: -50.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -585.486958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.486958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.486958 (E_RNA)
where:
Base-Base interactions energy: -399.911
where: short stacking energy: -174.631
Base-Backbone interact. energy: -1.348
local terms energy: -184.227495
where:
bonds (distance) C4'-P energy: -37.899
bonds (distance) P-C4' energy: -34.588
flat angles C4'-P-C4' energy: -35.807
flat angles P-C4'-P energy: -27.026
tors. eta vs tors. theta energy: -48.908
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: 4
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -548.505411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.505411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.505411 (E_RNA)
where:
Base-Base interactions energy: -379.189
where: short stacking energy: -164.002
Base-Backbone interact. energy: -0.924
local terms energy: -168.392879
where:
bonds (distance) C4'-P energy: -30.254
bonds (distance) P-C4' energy: -31.522
flat angles C4'-P-C4' energy: -38.287
flat angles P-C4'-P energy: -27.272
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: 5, replica: 8
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -469.866156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.866156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.866156 (E_RNA)
where:
Base-Base interactions energy: -317.365
where: short stacking energy: -138.701
Base-Backbone interact. energy: -0.278
local terms energy: -152.222794
where:
bonds (distance) C4'-P energy: -28.399
bonds (distance) P-C4' energy: -29.617
flat angles C4'-P-C4' energy: -30.945
flat angles P-C4'-P energy: -21.821
tors. eta vs tors. theta energy: -41.440
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: 5
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -479.680504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.680504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.680504 (E_RNA)
where:
Base-Base interactions energy: -327.011
where: short stacking energy: -142.241
Base-Backbone interact. energy: -0.457
local terms energy: -152.213103
where:
bonds (distance) C4'-P energy: -34.518
bonds (distance) P-C4' energy: -27.667
flat angles C4'-P-C4' energy: -31.615
flat angles P-C4'-P energy: -18.664
tors. eta vs tors. theta energy: -39.749
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: 6
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -410.333461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.333461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.333461 (E_RNA)
where:
Base-Base interactions energy: -267.935
where: short stacking energy: -118.509
Base-Backbone interact. energy: -0.818
local terms energy: -141.580757
where:
bonds (distance) C4'-P energy: -26.949
bonds (distance) P-C4' energy: -32.461
flat angles C4'-P-C4' energy: -34.723
flat angles P-C4'-P energy: -23.983
tors. eta vs tors. theta energy: -23.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -321.192849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.192849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.192849 (E_RNA)
where:
Base-Base interactions energy: -208.539
where: short stacking energy: -88.585
Base-Backbone interact. energy: -0.318
local terms energy: -112.335337
where:
bonds (distance) C4'-P energy: -24.982
bonds (distance) P-C4' energy: -27.694
flat angles C4'-P-C4' energy: -33.070
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -16.592
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: 9, replica: 10
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -246.888758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.888758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.888758 (E_RNA)
where:
Base-Base interactions energy: -125.909
where: short stacking energy: -68.864
Base-Backbone interact. energy: 0.088
local terms energy: -121.067616
where:
bonds (distance) C4'-P energy: -29.769
bonds (distance) P-C4' energy: -33.132
flat angles C4'-P-C4' energy: -26.091
flat angles P-C4'-P energy: -19.479
tors. eta vs tors. theta energy: -12.598
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: 7
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -180.683516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.683516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.683516 (E_RNA)
where:
Base-Base interactions energy: -85.547
where: short stacking energy: -69.935
Base-Backbone interact. energy: 0.298
local terms energy: -95.434290
where:
bonds (distance) C4'-P energy: -26.808
bonds (distance) P-C4' energy: -23.928
flat angles C4'-P-C4' energy: -22.065
flat angles P-C4'-P energy: -17.320
tors. eta vs tors. theta energy: -5.313
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: 9
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -616.245046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.245046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.245046 (E_RNA)
where:
Base-Base interactions energy: -426.654
where: short stacking energy: -192.832
Base-Backbone interact. energy: 0.359
local terms energy: -189.949568
where:
bonds (distance) C4'-P energy: -35.863
bonds (distance) P-C4' energy: -33.305
flat angles C4'-P-C4' energy: -35.906
flat angles P-C4'-P energy: -29.159
tors. eta vs tors. theta energy: -55.717
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: 1
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -612.043318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.043318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.043318 (E_RNA)
where:
Base-Base interactions energy: -428.691
where: short stacking energy: -182.883
Base-Backbone interact. energy: 0.382
local terms energy: -183.733886
where:
bonds (distance) C4'-P energy: -35.592
bonds (distance) P-C4' energy: -32.195
flat angles C4'-P-C4' energy: -38.939
flat angles P-C4'-P energy: -27.822
tors. eta vs tors. theta energy: -49.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -586.266081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.266081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.266081 (E_RNA)
where:
Base-Base interactions energy: -410.654
where: short stacking energy: -170.339
Base-Backbone interact. energy: -0.856
local terms energy: -174.756113
where:
bonds (distance) C4'-P energy: -33.408
bonds (distance) P-C4' energy: -38.832
flat angles C4'-P-C4' energy: -32.461
flat angles P-C4'-P energy: -23.863
tors. eta vs tors. theta energy: -46.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -542.977169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.977169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.977169 (E_RNA)
where:
Base-Base interactions energy: -387.547
where: short stacking energy: -176.188
Base-Backbone interact. energy: -0.185
local terms energy: -155.244975
where:
bonds (distance) C4'-P energy: -33.528
bonds (distance) P-C4' energy: -29.333
flat angles C4'-P-C4' energy: -30.420
flat angles P-C4'-P energy: -19.746
tors. eta vs tors. theta energy: -42.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -533.617282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.617282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.617282 (E_RNA)
where:
Base-Base interactions energy: -364.813
where: short stacking energy: -164.494
Base-Backbone interact. energy: -0.647
local terms energy: -168.157121
where:
bonds (distance) C4'-P energy: -31.870
bonds (distance) P-C4' energy: -29.380
flat angles C4'-P-C4' energy: -35.924
flat angles P-C4'-P energy: -24.536
tors. eta vs tors. theta energy: -46.447
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: 8
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -451.855127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.855127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.855127 (E_RNA)
where:
Base-Base interactions energy: -303.273
where: short stacking energy: -133.972
Base-Backbone interact. energy: -1.048
local terms energy: -147.533322
where:
bonds (distance) C4'-P energy: -28.149
bonds (distance) P-C4' energy: -31.608
flat angles C4'-P-C4' energy: -36.984
flat angles P-C4'-P energy: -20.686
tors. eta vs tors. theta energy: -30.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -427.843201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.843201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.843201 (E_RNA)
where:
Base-Base interactions energy: -298.245
where: short stacking energy: -123.332
Base-Backbone interact. energy: -2.153
local terms energy: -127.445389
where:
bonds (distance) C4'-P energy: -28.512
bonds (distance) P-C4' energy: -25.588
flat angles C4'-P-C4' energy: -29.462
flat angles P-C4'-P energy: -14.262
tors. eta vs tors. theta energy: -29.623
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: 3
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -287.819078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.819078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.819078 (E_RNA)
where:
Base-Base interactions energy: -176.957
where: short stacking energy: -88.212
Base-Backbone interact. energy: 0.099
local terms energy: -110.961326
where:
bonds (distance) C4'-P energy: -26.282
bonds (distance) P-C4' energy: -33.029
flat angles C4'-P-C4' energy: -27.353
flat angles P-C4'-P energy: -14.121
tors. eta vs tors. theta energy: -10.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -235.186188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.186188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.186188 (E_RNA)
where:
Base-Base interactions energy: -120.873
where: short stacking energy: -69.527
Base-Backbone interact. energy: -0.028
local terms energy: -114.284563
where:
bonds (distance) C4'-P energy: -20.952
bonds (distance) P-C4' energy: -31.500
flat angles C4'-P-C4' energy: -27.917
flat angles P-C4'-P energy: -22.265
tors. eta vs tors. theta energy: -11.650
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: 7
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -163.485386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.485386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.485386 (E_RNA)
where:
Base-Base interactions energy: -68.594
where: short stacking energy: -47.618
Base-Backbone interact. energy: -0.745
local terms energy: -94.145884
where:
bonds (distance) C4'-P energy: -25.387
bonds (distance) P-C4' energy: -30.250
flat angles C4'-P-C4' energy: -25.045
flat angles P-C4'-P energy: -15.364
tors. eta vs tors. theta energy: 1.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -604.929236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.929236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.929236 (E_RNA)
where:
Base-Base interactions energy: -417.350
where: short stacking energy: -184.183
Base-Backbone interact. energy: -0.119
local terms energy: -187.460260
where:
bonds (distance) C4'-P energy: -31.348
bonds (distance) P-C4' energy: -36.025
flat angles C4'-P-C4' energy: -40.946
flat angles P-C4'-P energy: -27.855
tors. eta vs tors. theta energy: -51.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -609.552808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.552808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.552808 (E_RNA)
where:
Base-Base interactions energy: -438.805
where: short stacking energy: -173.675
Base-Backbone interact. energy: -0.492
local terms energy: -170.255265
where:
bonds (distance) C4'-P energy: -29.002
bonds (distance) P-C4' energy: -35.623
flat angles C4'-P-C4' energy: -37.398
flat angles P-C4'-P energy: -28.376
tors. eta vs tors. theta energy: -39.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -596.001768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.001768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.001768 (E_RNA)
where:
Base-Base interactions energy: -413.195
where: short stacking energy: -173.747
Base-Backbone interact. energy: -0.530
local terms energy: -182.276874
where:
bonds (distance) C4'-P energy: -36.923
bonds (distance) P-C4' energy: -35.451
flat angles C4'-P-C4' energy: -38.994
flat angles P-C4'-P energy: -27.348
tors. eta vs tors. theta energy: -43.562
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: 4
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -538.861843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.861843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.861843 (E_RNA)
where:
Base-Base interactions energy: -370.070
where: short stacking energy: -151.037
Base-Backbone interact. energy: -0.292
local terms energy: -168.500389
where:
bonds (distance) C4'-P energy: -32.460
bonds (distance) P-C4' energy: -37.435
flat angles C4'-P-C4' energy: -35.738
flat angles P-C4'-P energy: -22.661
tors. eta vs tors. theta energy: -40.206
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: 5
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -496.677347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.677347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.677347 (E_RNA)
where:
Base-Base interactions energy: -340.176
where: short stacking energy: -162.325
Base-Backbone interact. energy: -0.389
local terms energy: -156.113071
where:
bonds (distance) C4'-P energy: -29.708
bonds (distance) P-C4' energy: -30.881
flat angles C4'-P-C4' energy: -30.361
flat angles P-C4'-P energy: -20.062
tors. eta vs tors. theta energy: -45.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -425.066538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.066538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.066538 (E_RNA)
where:
Base-Base interactions energy: -275.106
where: short stacking energy: -116.275
Base-Backbone interact. energy: 3.218
local terms energy: -153.178987
where:
bonds (distance) C4'-P energy: -36.280
bonds (distance) P-C4' energy: -39.348
flat angles C4'-P-C4' energy: -27.587
flat angles P-C4'-P energy: -25.623
tors. eta vs tors. theta energy: -24.341
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: 8
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -430.213387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.213387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.213387 (E_RNA)
where:
Base-Base interactions energy: -285.020
where: short stacking energy: -124.837
Base-Backbone interact. energy: -0.564
local terms energy: -144.629132
where:
bonds (distance) C4'-P energy: -24.227
bonds (distance) P-C4' energy: -31.279
flat angles C4'-P-C4' energy: -33.910
flat angles P-C4'-P energy: -23.763
tors. eta vs tors. theta energy: -31.450
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: 3
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -257.509557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.509557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.509557 (E_RNA)
where:
Base-Base interactions energy: -128.798
where: short stacking energy: -79.452
Base-Backbone interact. energy: -0.442
local terms energy: -128.269643
where:
bonds (distance) C4'-P energy: -27.690
bonds (distance) P-C4' energy: -36.444
flat angles C4'-P-C4' energy: -37.136
flat angles P-C4'-P energy: -14.422
tors. eta vs tors. theta energy: -12.577
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: 10
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -258.477840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.477840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.477840 (E_RNA)
where:
Base-Base interactions energy: -148.277
where: short stacking energy: -83.025
Base-Backbone interact. energy: 1.046
local terms energy: -111.246926
where:
bonds (distance) C4'-P energy: -27.696
bonds (distance) P-C4' energy: -29.782
flat angles C4'-P-C4' energy: -28.802
flat angles P-C4'-P energy: -18.746
tors. eta vs tors. theta energy: -6.221
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: 7
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -152.202124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.202124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.202124 (E_RNA)
where:
Base-Base interactions energy: -55.866
where: short stacking energy: -44.456
Base-Backbone interact. energy: -0.380
local terms energy: -95.956060
where:
bonds (distance) C4'-P energy: -24.479
bonds (distance) P-C4' energy: -26.041
flat angles C4'-P-C4' energy: -23.831
flat angles P-C4'-P energy: -18.472
tors. eta vs tors. theta energy: -3.133
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: 2
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -609.370697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.370697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.370697 (E_RNA)
where:
Base-Base interactions energy: -427.799
where: short stacking energy: -175.230
Base-Backbone interact. energy: -0.513
local terms energy: -181.058791
where:
bonds (distance) C4'-P energy: -33.772
bonds (distance) P-C4' energy: -36.896
flat angles C4'-P-C4' energy: -37.709
flat angles P-C4'-P energy: -27.960
tors. eta vs tors. theta energy: -44.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -595.967584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.967584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.967584 (E_RNA)
where:
Base-Base interactions energy: -402.191
where: short stacking energy: -185.282
Base-Backbone interact. energy: -0.362
local terms energy: -193.414439
where:
bonds (distance) C4'-P energy: -36.493
bonds (distance) P-C4' energy: -32.530
flat angles C4'-P-C4' energy: -39.702
flat angles P-C4'-P energy: -26.418
tors. eta vs tors. theta energy: -58.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -581.599639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.599639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.599639 (E_RNA)
where:
Base-Base interactions energy: -406.168
where: short stacking energy: -167.344
Base-Backbone interact. energy: -1.466
local terms energy: -173.965263
where:
bonds (distance) C4'-P energy: -33.750
bonds (distance) P-C4' energy: -36.402
flat angles C4'-P-C4' energy: -34.988
flat angles P-C4'-P energy: -26.512
tors. eta vs tors. theta energy: -42.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -533.873052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.873052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.873052 (E_RNA)
where:
Base-Base interactions energy: -371.773
where: short stacking energy: -150.804
Base-Backbone interact. energy: -1.083
local terms energy: -161.016752
where:
bonds (distance) C4'-P energy: -30.259
bonds (distance) P-C4' energy: -31.575
flat angles C4'-P-C4' energy: -37.486
flat angles P-C4'-P energy: -19.263
tors. eta vs tors. theta energy: -42.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -492.004202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.004202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.004202 (E_RNA)
where:
Base-Base interactions energy: -337.813
where: short stacking energy: -141.785
Base-Backbone interact. energy: -0.136
local terms energy: -154.055831
where:
bonds (distance) C4'-P energy: -19.823
bonds (distance) P-C4' energy: -38.642
flat angles C4'-P-C4' energy: -32.311
flat angles P-C4'-P energy: -24.703
tors. eta vs tors. theta energy: -38.578
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: 6
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -450.733851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.733851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.733851 (E_RNA)
where:
Base-Base interactions energy: -299.131
where: short stacking energy: -133.974
Base-Backbone interact. energy: -1.748
local terms energy: -149.855415
where:
bonds (distance) C4'-P energy: -27.271
bonds (distance) P-C4' energy: -32.288
flat angles C4'-P-C4' energy: -31.923
flat angles P-C4'-P energy: -23.953
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: 7, replica: 8
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -462.510921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.510921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.510921 (E_RNA)
where:
Base-Base interactions energy: -324.986
where: short stacking energy: -145.353
Base-Backbone interact. energy: -1.000
local terms energy: -136.524600
where:
bonds (distance) C4'-P energy: -24.790
bonds (distance) P-C4' energy: -30.380
flat angles C4'-P-C4' energy: -28.420
flat angles P-C4'-P energy: -12.934
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: 8, replica: 3
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -260.841959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.841959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.841959 (E_RNA)
where:
Base-Base interactions energy: -142.820
where: short stacking energy: -65.547
Base-Backbone interact. energy: 2.573
local terms energy: -120.594885
where:
bonds (distance) C4'-P energy: -24.126
bonds (distance) P-C4' energy: -36.466
flat angles C4'-P-C4' energy: -33.869
flat angles P-C4'-P energy: -20.622
tors. eta vs tors. theta energy: -5.512
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: 10
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -232.432131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.432131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.432131 (E_RNA)
where:
Base-Base interactions energy: -122.147
where: short stacking energy: -69.631
Base-Backbone interact. energy: -0.553
local terms energy: -109.732101
where:
bonds (distance) C4'-P energy: -21.043
bonds (distance) P-C4' energy: -34.500
flat angles C4'-P-C4' energy: -28.778
flat angles P-C4'-P energy: -16.338
tors. eta vs tors. theta energy: -9.073
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: 10, replica: 7
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -171.152017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.152017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.152017 (E_RNA)
where:
Base-Base interactions energy: -57.568
where: short stacking energy: -51.866
Base-Backbone interact. energy: -0.635
local terms energy: -112.948546
where:
bonds (distance) C4'-P energy: -31.256
bonds (distance) P-C4' energy: -34.117
flat angles C4'-P-C4' energy: -23.464
flat angles P-C4'-P energy: -19.347
tors. eta vs tors. theta energy: -4.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -631.845910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.845910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.845910 (E_RNA)
where:
Base-Base interactions energy: -447.813
where: short stacking energy: -175.062
Base-Backbone interact. energy: 0.473
local terms energy: -184.505408
where:
bonds (distance) C4'-P energy: -38.046
bonds (distance) P-C4' energy: -35.064
flat angles C4'-P-C4' energy: -36.747
flat angles P-C4'-P energy: -28.620
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: 1
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -603.672582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.672582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.672582 (E_RNA)
where:
Base-Base interactions energy: -421.235
where: short stacking energy: -176.483
Base-Backbone interact. energy: -0.554
local terms energy: -181.884125
where:
bonds (distance) C4'-P energy: -40.538
bonds (distance) P-C4' energy: -35.563
flat angles C4'-P-C4' energy: -37.382
flat angles P-C4'-P energy: -26.178
tors. eta vs tors. theta energy: -42.223
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: 3, replica: 9
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -594.931599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.931599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.931599 (E_RNA)
where:
Base-Base interactions energy: -397.189
where: short stacking energy: -181.031
Base-Backbone interact. energy: -0.522
local terms energy: -197.220543
where:
bonds (distance) C4'-P energy: -32.838
bonds (distance) P-C4' energy: -42.092
flat angles C4'-P-C4' energy: -37.395
flat angles P-C4'-P energy: -29.133
tors. eta vs tors. theta energy: -55.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -532.406693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.406693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.406693 (E_RNA)
where:
Base-Base interactions energy: -375.708
where: short stacking energy: -163.105
Base-Backbone interact. energy: -0.322
local terms energy: -156.376411
where:
bonds (distance) C4'-P energy: -34.119
bonds (distance) P-C4' energy: -27.155
flat angles C4'-P-C4' energy: -31.857
flat angles P-C4'-P energy: -21.055
tors. eta vs tors. theta energy: -42.191
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: 5
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -532.092887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.092887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.092887 (E_RNA)
where:
Base-Base interactions energy: -361.391
where: short stacking energy: -159.533
Base-Backbone interact. energy: -0.501
local terms energy: -170.200848
where:
bonds (distance) C4'-P energy: -24.658
bonds (distance) P-C4' energy: -36.547
flat angles C4'-P-C4' energy: -33.320
flat angles P-C4'-P energy: -25.300
tors. eta vs tors. theta energy: -50.376
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: 6
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -437.093999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.093999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.093999 (E_RNA)
where:
Base-Base interactions energy: -294.402
where: short stacking energy: -139.505
Base-Backbone interact. energy: 0.842
local terms energy: -143.534557
where:
bonds (distance) C4'-P energy: -29.469
bonds (distance) P-C4' energy: -29.180
flat angles C4'-P-C4' energy: -31.556
flat angles P-C4'-P energy: -16.371
tors. eta vs tors. theta energy: -36.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -450.934278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.934278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.934278 (E_RNA)
where:
Base-Base interactions energy: -301.365
where: short stacking energy: -130.788
Base-Backbone interact. energy: 1.922
local terms energy: -151.491467
where:
bonds (distance) C4'-P energy: -25.254
bonds (distance) P-C4' energy: -34.207
flat angles C4'-P-C4' energy: -33.016
flat angles P-C4'-P energy: -20.312
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: 10
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -282.599583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.599583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.599583 (E_RNA)
where:
Base-Base interactions energy: -157.095
where: short stacking energy: -92.145
Base-Backbone interact. energy: -0.515
local terms energy: -124.989175
where:
bonds (distance) C4'-P energy: -32.215
bonds (distance) P-C4' energy: -26.286
flat angles C4'-P-C4' energy: -25.677
flat angles P-C4'-P energy: -17.543
tors. eta vs tors. theta energy: -23.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -237.594698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.594698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.594698 (E_RNA)
where:
Base-Base interactions energy: -134.189
where: short stacking energy: -76.557
Base-Backbone interact. energy: -0.420
local terms energy: -102.985894
where:
bonds (distance) C4'-P energy: -18.325
bonds (distance) P-C4' energy: -35.124
flat angles C4'-P-C4' energy: -34.601
flat angles P-C4'-P energy: -16.852
tors. eta vs tors. theta energy: 1.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -173.727425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.727425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.727425 (E_RNA)
where:
Base-Base interactions energy: -52.046
where: short stacking energy: -52.219
Base-Backbone interact. energy: -0.219
local terms energy: -121.462485
where:
bonds (distance) C4'-P energy: -27.984
bonds (distance) P-C4' energy: -37.323
flat angles C4'-P-C4' energy: -31.172
flat angles P-C4'-P energy: -19.294
tors. eta vs tors. theta energy: -5.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -618.299593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.299593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.299593 (E_RNA)
where:
Base-Base interactions energy: -435.658
where: short stacking energy: -179.488
Base-Backbone interact. energy: -0.844
local terms energy: -181.798227
where:
bonds (distance) C4'-P energy: -30.999
bonds (distance) P-C4' energy: -36.287
flat angles C4'-P-C4' energy: -36.451
flat angles P-C4'-P energy: -30.861
tors. eta vs tors. theta energy: -47.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -590.252006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.252006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.252006 (E_RNA)
where:
Base-Base interactions energy: -416.126
where: short stacking energy: -175.517
Base-Backbone interact. energy: -0.225
local terms energy: -173.900384
where:
bonds (distance) C4'-P energy: -37.820
bonds (distance) P-C4' energy: -28.887
flat angles C4'-P-C4' energy: -38.597
flat angles P-C4'-P energy: -24.652
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: 3, replica: 9
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -583.813719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.813719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.813719 (E_RNA)
where:
Base-Base interactions energy: -408.914
where: short stacking energy: -199.935
Base-Backbone interact. energy: -0.539
local terms energy: -174.361494
where:
bonds (distance) C4'-P energy: -26.345
bonds (distance) P-C4' energy: -35.818
flat angles C4'-P-C4' energy: -34.289
flat angles P-C4'-P energy: -22.514
tors. eta vs tors. theta energy: -55.395
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: 4
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -530.079503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.079503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.079503 (E_RNA)
where:
Base-Base interactions energy: -366.988
where: short stacking energy: -159.712
Base-Backbone interact. energy: -1.123
local terms energy: -161.968544
where:
bonds (distance) C4'-P energy: -30.052
bonds (distance) P-C4' energy: -35.628
flat angles C4'-P-C4' energy: -37.166
flat angles P-C4'-P energy: -16.721
tors. eta vs tors. theta energy: -42.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -507.612309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.612309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.612309 (E_RNA)
where:
Base-Base interactions energy: -340.996
where: short stacking energy: -163.372
Base-Backbone interact. energy: -0.932
local terms energy: -165.684185
where:
bonds (distance) C4'-P energy: -32.543
bonds (distance) P-C4' energy: -32.050
flat angles C4'-P-C4' energy: -38.065
flat angles P-C4'-P energy: -24.902
tors. eta vs tors. theta energy: -38.123
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: 146
Temperature: 1.150000
Total energy: -427.252727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.252727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.252727 (E_RNA)
where:
Base-Base interactions energy: -282.648
where: short stacking energy: -120.402
Base-Backbone interact. energy: -2.012
local terms energy: -142.592306
where:
bonds (distance) C4'-P energy: -28.253
bonds (distance) P-C4' energy: -29.829
flat angles C4'-P-C4' energy: -36.846
flat angles P-C4'-P energy: -16.883
tors. eta vs tors. theta energy: -30.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -402.540997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.540997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.540997 (E_RNA)
where:
Base-Base interactions energy: -266.849
where: short stacking energy: -112.133
Base-Backbone interact. energy: -1.139
local terms energy: -134.552687
where:
bonds (distance) C4'-P energy: -22.939
bonds (distance) P-C4' energy: -33.059
flat angles C4'-P-C4' energy: -31.008
flat angles P-C4'-P energy: -15.407
tors. eta vs tors. theta energy: -32.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -299.354625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.354625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.354625 (E_RNA)
where:
Base-Base interactions energy: -176.993
where: short stacking energy: -89.183
Base-Backbone interact. energy: -0.450
local terms energy: -121.911606
where:
bonds (distance) C4'-P energy: -31.161
bonds (distance) P-C4' energy: -32.416
flat angles C4'-P-C4' energy: -30.916
flat angles P-C4'-P energy: -14.309
tors. eta vs tors. theta energy: -13.109
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: 146
Temperature: 1.300000
Total energy: -254.249149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.249149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.249149 (E_RNA)
where:
Base-Base interactions energy: -129.578
where: short stacking energy: -61.136
Base-Backbone interact. energy: -0.924
local terms energy: -123.747290
where:
bonds (distance) C4'-P energy: -32.972
bonds (distance) P-C4' energy: -38.610
flat angles C4'-P-C4' energy: -28.309
flat angles P-C4'-P energy: -17.278
tors. eta vs tors. theta energy: -6.579
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: 7
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -195.219648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.219648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.219648 (E_RNA)
where:
Base-Base interactions energy: -91.089
where: short stacking energy: -67.662
Base-Backbone interact. energy: -0.533
local terms energy: -103.597371
where:
bonds (distance) C4'-P energy: -30.733
bonds (distance) P-C4' energy: -30.350
flat angles C4'-P-C4' energy: -19.989
flat angles P-C4'-P energy: -18.621
tors. eta vs tors. theta energy: -3.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -623.831688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.831688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.831688 (E_RNA)
where:
Base-Base interactions energy: -444.193
where: short stacking energy: -176.585
Base-Backbone interact. energy: -1.419
local terms energy: -178.219737
where:
bonds (distance) C4'-P energy: -34.709
bonds (distance) P-C4' energy: -32.611
flat angles C4'-P-C4' energy: -38.264
flat angles P-C4'-P energy: -28.986
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: 2, replica: 1
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -608.099626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.099626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.099626 (E_RNA)
where:
Base-Base interactions energy: -434.538
where: short stacking energy: -183.163
Base-Backbone interact. energy: -0.755
local terms energy: -172.807039
where:
bonds (distance) C4'-P energy: -32.892
bonds (distance) P-C4' energy: -32.362
flat angles C4'-P-C4' energy: -36.923
flat angles P-C4'-P energy: -22.643
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: 3, replica: 9
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -590.261133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.261133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.261133 (E_RNA)
where:
Base-Base interactions energy: -406.732
where: short stacking energy: -179.807
Base-Backbone interact. energy: -0.170
local terms energy: -183.359112
where:
bonds (distance) C4'-P energy: -34.714
bonds (distance) P-C4' energy: -37.381
flat angles C4'-P-C4' energy: -37.213
flat angles P-C4'-P energy: -23.391
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: 4, replica: 5
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -532.609162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.609162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.609162 (E_RNA)
where:
Base-Base interactions energy: -377.845
where: short stacking energy: -167.473
Base-Backbone interact. energy: 2.788
local terms energy: -157.551904
where:
bonds (distance) C4'-P energy: -25.751
bonds (distance) P-C4' energy: -29.359
flat angles C4'-P-C4' energy: -30.435
flat angles P-C4'-P energy: -26.437
tors. eta vs tors. theta energy: -45.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -493.434427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.434427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.434427 (E_RNA)
where:
Base-Base interactions energy: -332.646
where: short stacking energy: -135.030
Base-Backbone interact. energy: -0.239
local terms energy: -160.550185
where:
bonds (distance) C4'-P energy: -25.377
bonds (distance) P-C4' energy: -34.896
flat angles C4'-P-C4' energy: -38.725
flat angles P-C4'-P energy: -27.236
tors. eta vs tors. theta energy: -34.315
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: 147
Temperature: 1.150000
Total energy: -420.556435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.556435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.556435 (E_RNA)
where:
Base-Base interactions energy: -278.919
where: short stacking energy: -123.568
Base-Backbone interact. energy: -1.512
local terms energy: -140.125912
where:
bonds (distance) C4'-P energy: -26.810
bonds (distance) P-C4' energy: -40.890
flat angles C4'-P-C4' energy: -28.775
flat angles P-C4'-P energy: -18.007
tors. eta vs tors. theta energy: -25.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -391.589538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.589538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.589538 (E_RNA)
where:
Base-Base interactions energy: -258.334
where: short stacking energy: -115.724
Base-Backbone interact. energy: -0.339
local terms energy: -132.916786
where:
bonds (distance) C4'-P energy: -28.913
bonds (distance) P-C4' energy: -34.549
flat angles C4'-P-C4' energy: -32.253
flat angles P-C4'-P energy: -12.100
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: 8, replica: 10
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -288.172498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.172498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.172498 (E_RNA)
where:
Base-Base interactions energy: -168.610
where: short stacking energy: -80.487
Base-Backbone interact. energy: -0.516
local terms energy: -119.046723
where:
bonds (distance) C4'-P energy: -32.526
bonds (distance) P-C4' energy: -30.479
flat angles C4'-P-C4' energy: -28.001
flat angles P-C4'-P energy: -18.244
tors. eta vs tors. theta energy: -9.797
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: 9, replica: 3
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -247.267836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.267836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.267836 (E_RNA)
where:
Base-Base interactions energy: -138.918
where: short stacking energy: -77.329
Base-Backbone interact. energy: 1.079
local terms energy: -109.428779
where:
bonds (distance) C4'-P energy: -35.366
bonds (distance) P-C4' energy: -30.582
flat angles C4'-P-C4' energy: -18.555
flat angles P-C4'-P energy: -13.929
tors. eta vs tors. theta energy: -10.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -204.513824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.513824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.513824 (E_RNA)
where:
Base-Base interactions energy: -96.920
where: short stacking energy: -61.658
Base-Backbone interact. energy: 1.742
local terms energy: -109.335569
where:
bonds (distance) C4'-P energy: -28.231
bonds (distance) P-C4' energy: -35.444
flat angles C4'-P-C4' energy: -28.772
flat angles P-C4'-P energy: -13.073
tors. eta vs tors. theta energy: -3.815
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: 1, replica: 2
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -615.044578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.044578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.044578 (E_RNA)
where:
Base-Base interactions energy: -437.004
where: short stacking energy: -166.532
Base-Backbone interact. energy: -3.157
local terms energy: -174.883811
where:
bonds (distance) C4'-P energy: -34.940
bonds (distance) P-C4' energy: -31.273
flat angles C4'-P-C4' energy: -42.426
flat angles P-C4'-P energy: -22.394
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: 2, replica: 1
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -601.964633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.964633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.964633 (E_RNA)
where:
Base-Base interactions energy: -422.622
where: short stacking energy: -182.669
Base-Backbone interact. energy: -0.763
local terms energy: -178.579797
where:
bonds (distance) C4'-P energy: -28.800
bonds (distance) P-C4' energy: -36.266
flat angles C4'-P-C4' energy: -39.948
flat angles P-C4'-P energy: -26.444
tors. eta vs tors. theta energy: -47.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -583.917913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.917913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.917913 (E_RNA)
where:
Base-Base interactions energy: -398.548
where: short stacking energy: -168.867
Base-Backbone interact. energy: -0.994
local terms energy: -184.375342
where:
bonds (distance) C4'-P energy: -36.749
bonds (distance) P-C4' energy: -36.673
flat angles C4'-P-C4' energy: -37.785
flat angles P-C4'-P energy: -22.515
tors. eta vs tors. theta energy: -50.654
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: 148
Temperature: 1.050000
Total energy: -532.086504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.086504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.086504 (E_RNA)
where:
Base-Base interactions energy: -366.645
where: short stacking energy: -172.048
Base-Backbone interact. energy: 0.579
local terms energy: -166.020670
where:
bonds (distance) C4'-P energy: -38.046
bonds (distance) P-C4' energy: -20.074
flat angles C4'-P-C4' energy: -40.819
flat angles P-C4'-P energy: -18.661
tors. eta vs tors. theta energy: -48.421
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: 4
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -496.342496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.342496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.342496 (E_RNA)
where:
Base-Base interactions energy: -356.870
where: short stacking energy: -145.106
Base-Backbone interact. energy: -0.665
local terms energy: -138.808104
where:
bonds (distance) C4'-P energy: -22.574
bonds (distance) P-C4' energy: -35.284
flat angles C4'-P-C4' energy: -31.314
flat angles P-C4'-P energy: -20.028
tors. eta vs tors. theta energy: -29.609
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: 6
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -438.993458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.993458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.993458 (E_RNA)
where:
Base-Base interactions energy: -291.869
where: short stacking energy: -120.070
Base-Backbone interact. energy: -0.777
local terms energy: -146.347843
where:
bonds (distance) C4'-P energy: -30.422
bonds (distance) P-C4' energy: -32.059
flat angles C4'-P-C4' energy: -40.148
flat angles P-C4'-P energy: -18.633
tors. eta vs tors. theta energy: -25.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -281.059000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.059000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.059000 (E_RNA)
where:
Base-Base interactions energy: -142.075
where: short stacking energy: -84.625
Base-Backbone interact. energy: -0.364
local terms energy: -138.619976
where:
bonds (distance) C4'-P energy: -29.374
bonds (distance) P-C4' energy: -31.209
flat angles C4'-P-C4' energy: -35.332
flat angles P-C4'-P energy: -22.992
tors. eta vs tors. theta energy: -19.712
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: 8
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -436.578127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.578127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.578127 (E_RNA)
where:
Base-Base interactions energy: -280.763
where: short stacking energy: -118.425
Base-Backbone interact. energy: -1.375
local terms energy: -154.439754
where:
bonds (distance) C4'-P energy: -25.594
bonds (distance) P-C4' energy: -36.210
flat angles C4'-P-C4' energy: -36.829
flat angles P-C4'-P energy: -17.653
tors. eta vs tors. theta energy: -38.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -257.977825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.977825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.977825 (E_RNA)
where:
Base-Base interactions energy: -135.992
where: short stacking energy: -91.762
Base-Backbone interact. energy: 5.064
local terms energy: -127.050152
where:
bonds (distance) C4'-P energy: -24.173
bonds (distance) P-C4' energy: -27.623
flat angles C4'-P-C4' energy: -32.544
flat angles P-C4'-P energy: -25.559
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: 3
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -179.484637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.484637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.484637 (E_RNA)
where:
Base-Base interactions energy: -66.131
where: short stacking energy: -62.591
Base-Backbone interact. energy: 0.084
local terms energy: -113.437204
where:
bonds (distance) C4'-P energy: -31.628
bonds (distance) P-C4' energy: -33.932
flat angles C4'-P-C4' energy: -26.789
flat angles P-C4'-P energy: -18.017
tors. eta vs tors. theta energy: -3.070
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: 2
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -612.510452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.510452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.510452 (E_RNA)
where:
Base-Base interactions energy: -442.601
where: short stacking energy: -165.769
Base-Backbone interact. energy: -1.499
local terms energy: -168.410692
where:
bonds (distance) C4'-P energy: -30.736
bonds (distance) P-C4' energy: -27.120
flat angles C4'-P-C4' energy: -40.096
flat angles P-C4'-P energy: -30.415
tors. eta vs tors. theta energy: -40.043
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: 1
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -599.567972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.567972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.567972 (E_RNA)
where:
Base-Base interactions energy: -411.276
where: short stacking energy: -176.173
Base-Backbone interact. energy: -2.180
local terms energy: -186.111872
where:
bonds (distance) C4'-P energy: -29.254
bonds (distance) P-C4' energy: -38.603
flat angles C4'-P-C4' energy: -39.962
flat angles P-C4'-P energy: -29.045
tors. eta vs tors. theta energy: -49.249
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: 9
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -576.725609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.725609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.725609 (E_RNA)
where:
Base-Base interactions energy: -405.229
where: short stacking energy: -176.896
Base-Backbone interact. energy: -0.168
local terms energy: -171.328619
where:
bonds (distance) C4'-P energy: -25.643
bonds (distance) P-C4' energy: -28.225
flat angles C4'-P-C4' energy: -37.376
flat angles P-C4'-P energy: -30.279
tors. eta vs tors. theta energy: -49.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -527.739350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.739350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.739350 (E_RNA)
where:
Base-Base interactions energy: -368.325
where: short stacking energy: -158.216
Base-Backbone interact. energy: 2.201
local terms energy: -161.614880
where:
bonds (distance) C4'-P energy: -33.921
bonds (distance) P-C4' energy: -28.812
flat angles C4'-P-C4' energy: -37.035
flat angles P-C4'-P energy: -19.435
tors. eta vs tors. theta energy: -42.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -511.773684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.773684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.773684 (E_RNA)
where:
Base-Base interactions energy: -354.750
where: short stacking energy: -166.008
Base-Backbone interact. energy: -0.959
local terms energy: -156.064170
where:
bonds (distance) C4'-P energy: -29.476
bonds (distance) P-C4' energy: -30.601
flat angles C4'-P-C4' energy: -32.184
flat angles P-C4'-P energy: -18.263
tors. eta vs tors. theta energy: -45.540
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: 6
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -436.930633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.930633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.930633 (E_RNA)
where:
Base-Base interactions energy: -289.468
where: short stacking energy: -118.502
Base-Backbone interact. energy: -1.366
local terms energy: -146.096063
where:
bonds (distance) C4'-P energy: -32.770
bonds (distance) P-C4' energy: -25.889
flat angles C4'-P-C4' energy: -33.695
flat angles P-C4'-P energy: -21.187
tors. eta vs tors. theta energy: -32.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -275.730153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.730153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.730153 (E_RNA)
where:
Base-Base interactions energy: -142.831
where: short stacking energy: -82.596
Base-Backbone interact. energy: -0.296
local terms energy: -132.603168
where:
bonds (distance) C4'-P energy: -26.245
bonds (distance) P-C4' energy: -29.917
flat angles C4'-P-C4' energy: -34.211
flat angles P-C4'-P energy: -27.072
tors. eta vs tors. theta energy: -15.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -401.147067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.147067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.147067 (E_RNA)
where:
Base-Base interactions energy: -269.460
where: short stacking energy: -119.606
Base-Backbone interact. energy: -1.416
local terms energy: -130.271399
where:
bonds (distance) C4'-P energy: -28.957
bonds (distance) P-C4' energy: -25.581
flat angles C4'-P-C4' energy: -32.199
flat angles P-C4'-P energy: -14.957
tors. eta vs tors. theta energy: -28.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -278.574588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.574588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.574588 (E_RNA)
where:
Base-Base interactions energy: -167.921
where: short stacking energy: -91.032
Base-Backbone interact. energy: -1.535
local terms energy: -109.119116
where:
bonds (distance) C4'-P energy: -33.089
bonds (distance) P-C4' energy: -26.080
flat angles C4'-P-C4' energy: -26.011
flat angles P-C4'-P energy: -15.864
tors. eta vs tors. theta energy: -8.074
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: 149
Temperature: 1.350000
Total energy: -179.462299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.462299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.462299 (E_RNA)
where:
Base-Base interactions energy: -77.600
where: short stacking energy: -50.241
Base-Backbone interact. energy: -1.188
local terms energy: -100.674250
where:
bonds (distance) C4'-P energy: -29.568
bonds (distance) P-C4' energy: -37.472
flat angles C4'-P-C4' energy: -22.746
flat angles P-C4'-P energy: -14.562
tors. eta vs tors. theta energy: 3.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -621.261169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.261169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.261169 (E_RNA)
where:
Base-Base interactions energy: -434.552
where: short stacking energy: -173.929
Base-Backbone interact. energy: -3.026
local terms energy: -183.683612
where:
bonds (distance) C4'-P energy: -32.568
bonds (distance) P-C4' energy: -38.619
flat angles C4'-P-C4' energy: -35.006
flat angles P-C4'-P energy: -25.474
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: 2
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -601.026670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.026670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.026670 (E_RNA)
where:
Base-Base interactions energy: -428.808
where: short stacking energy: -166.938
Base-Backbone interact. energy: -2.914
local terms energy: -169.304718
where:
bonds (distance) C4'-P energy: -34.046
bonds (distance) P-C4' energy: -31.824
flat angles C4'-P-C4' energy: -39.095
flat angles P-C4'-P energy: -19.951
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: 3, replica: 4
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -539.843767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.843767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.843767 (E_RNA)
where:
Base-Base interactions energy: -368.285
where: short stacking energy: -152.584
Base-Backbone interact. energy: -0.228
local terms energy: -171.330396
where:
bonds (distance) C4'-P energy: -36.266
bonds (distance) P-C4' energy: -30.291
flat angles C4'-P-C4' energy: -37.393
flat angles P-C4'-P energy: -25.425
tors. eta vs tors. theta energy: -41.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -586.078576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.078576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.078576 (E_RNA)
where:
Base-Base interactions energy: -417.964
where: short stacking energy: -180.121
Base-Backbone interact. energy: 1.540
local terms energy: -169.654451
where:
bonds (distance) C4'-P energy: -30.710
bonds (distance) P-C4' energy: -28.998
flat angles C4'-P-C4' energy: -36.268
flat angles P-C4'-P energy: -26.770
tors. eta vs tors. theta energy: -46.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -522.556378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.556378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.556378 (E_RNA)
where:
Base-Base interactions energy: -362.106
where: short stacking energy: -172.142
Base-Backbone interact. energy: -0.792
local terms energy: -159.658740
where:
bonds (distance) C4'-P energy: -22.764
bonds (distance) P-C4' energy: -32.618
flat angles C4'-P-C4' energy: -35.189
flat angles P-C4'-P energy: -23.093
tors. eta vs tors. theta energy: -45.995
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: 150
Temperature: 1.150000
Total energy: -423.867926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.867926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.867926 (E_RNA)
where:
Base-Base interactions energy: -277.099
where: short stacking energy: -138.637
Base-Backbone interact. energy: -0.668
local terms energy: -146.100520
where:
bonds (distance) C4'-P energy: -24.476
bonds (distance) P-C4' energy: -34.918
flat angles C4'-P-C4' energy: -33.808
flat angles P-C4'-P energy: -19.207
tors. eta vs tors. theta energy: -33.691
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: 8
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -432.967928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.967928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.967928 (E_RNA)
where:
Base-Base interactions energy: -286.819
where: short stacking energy: -133.078
Base-Backbone interact. energy: 0.937
local terms energy: -147.085698
where:
bonds (distance) C4'-P energy: -31.302
bonds (distance) P-C4' energy: -28.648
flat angles C4'-P-C4' energy: -30.873
flat angles P-C4'-P energy: -24.915
tors. eta vs tors. theta energy: -31.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -256.290337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.290337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.290337 (E_RNA)
where:
Base-Base interactions energy: -146.570
where: short stacking energy: -93.069
Base-Backbone interact. energy: -0.515
local terms energy: -109.205552
where:
bonds (distance) C4'-P energy: -23.216
bonds (distance) P-C4' energy: -35.279
flat angles C4'-P-C4' energy: -30.849
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -10.735
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: 7
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -259.885043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.885043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.885043 (E_RNA)
where:
Base-Base interactions energy: -155.168
where: short stacking energy: -89.620
Base-Backbone interact. energy: 4.528
local terms energy: -109.245225
where:
bonds (distance) C4'-P energy: -23.107
bonds (distance) P-C4' energy: -28.680
flat angles C4'-P-C4' energy: -30.058
flat angles P-C4'-P energy: -13.729
tors. eta vs tors. theta energy: -13.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -203.347500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.347500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.347500 (E_RNA)
where:
Base-Base interactions energy: -109.119
where: short stacking energy: -61.758
Base-Backbone interact. energy: 5.278
local terms energy: -99.506875
where:
bonds (distance) C4'-P energy: -26.048
bonds (distance) P-C4' energy: -31.438
flat angles C4'-P-C4' energy: -25.942
flat angles P-C4'-P energy: -18.426
tors. eta vs tors. theta energy: 2.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -614.699155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.699155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.699155 (E_RNA)
where:
Base-Base interactions energy: -431.136
where: short stacking energy: -184.857
Base-Backbone interact. energy: -0.026
local terms energy: -183.537292
where:
bonds (distance) C4'-P energy: -36.978
bonds (distance) P-C4' energy: -30.727
flat angles C4'-P-C4' energy: -40.409
flat angles P-C4'-P energy: -24.809
tors. eta vs tors. theta energy: -50.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -615.743552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.743552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.743552 (E_RNA)
where:
Base-Base interactions energy: -444.881
where: short stacking energy: -176.897
Base-Backbone interact. energy: -0.527
local terms energy: -170.336273
where:
bonds (distance) C4'-P energy: -32.216
bonds (distance) P-C4' energy: -32.003
flat angles C4'-P-C4' energy: -37.321
flat angles P-C4'-P energy: -23.537
tors. eta vs tors. theta energy: -45.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -538.224195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.224195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.224195 (E_RNA)
where:
Base-Base interactions energy: -364.130
where: short stacking energy: -160.836
Base-Backbone interact. energy: 0.291
local terms energy: -174.385914
where:
bonds (distance) C4'-P energy: -34.772
bonds (distance) P-C4' energy: -35.374
flat angles C4'-P-C4' energy: -38.128
flat angles P-C4'-P energy: -23.805
tors. eta vs tors. theta energy: -42.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -567.490731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.490731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.490731 (E_RNA)
where:
Base-Base interactions energy: -394.279
where: short stacking energy: -172.046
Base-Backbone interact. energy: -0.087
local terms energy: -173.124799
where:
bonds (distance) C4'-P energy: -26.143
bonds (distance) P-C4' energy: -32.092
flat angles C4'-P-C4' energy: -41.169
flat angles P-C4'-P energy: -20.660
tors. eta vs tors. theta energy: -53.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -514.982221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.982221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.982221 (E_RNA)
where:
Base-Base interactions energy: -359.035
where: short stacking energy: -159.219
Base-Backbone interact. energy: -0.221
local terms energy: -155.726028
where:
bonds (distance) C4'-P energy: -31.672
bonds (distance) P-C4' energy: -28.630
flat angles C4'-P-C4' energy: -32.097
flat angles P-C4'-P energy: -18.963
tors. eta vs tors. theta energy: -44.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -452.798175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.798175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.798175 (E_RNA)
where:
Base-Base interactions energy: -301.512
where: short stacking energy: -141.342
Base-Backbone interact. energy: -0.597
local terms energy: -150.688910
where:
bonds (distance) C4'-P energy: -33.681
bonds (distance) P-C4' energy: -27.061
flat angles C4'-P-C4' energy: -37.012
flat angles P-C4'-P energy: -18.935
tors. eta vs tors. theta energy: -33.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -426.439691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.439691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.439691 (E_RNA)
where:
Base-Base interactions energy: -285.474
where: short stacking energy: -109.662
Base-Backbone interact. energy: -0.236
local terms energy: -140.730457
where:
bonds (distance) C4'-P energy: -31.628
bonds (distance) P-C4' energy: -31.381
flat angles C4'-P-C4' energy: -39.178
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: -25.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -262.630963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.630963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.630963 (E_RNA)
where:
Base-Base interactions energy: -153.773
where: short stacking energy: -85.282
Base-Backbone interact. energy: 0.111
local terms energy: -108.969239
where:
bonds (distance) C4'-P energy: -28.608
bonds (distance) P-C4' energy: -31.666
flat angles C4'-P-C4' energy: -25.024
flat angles P-C4'-P energy: -14.577
tors. eta vs tors. theta energy: -9.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -245.369109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.369109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.369109 (E_RNA)
where:
Base-Base interactions energy: -139.988
where: short stacking energy: -65.610
Base-Backbone interact. energy: 3.279
local terms energy: -108.660570
where:
bonds (distance) C4'-P energy: -37.669
bonds (distance) P-C4' energy: -24.889
flat angles C4'-P-C4' energy: -31.371
flat angles P-C4'-P energy: -13.445
tors. eta vs tors. theta energy: -1.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -189.481560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.481560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.481560 (E_RNA)
where:
Base-Base interactions energy: -83.312
where: short stacking energy: -65.973
Base-Backbone interact. energy: 1.042
local terms energy: -107.211715
where:
bonds (distance) C4'-P energy: -31.745
bonds (distance) P-C4' energy: -35.920
flat angles C4'-P-C4' energy: -25.230
flat angles P-C4'-P energy: -15.827
tors. eta vs tors. theta energy: 1.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -606.709277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.709277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.709277 (E_RNA)
where:
Base-Base interactions energy: -442.811
where: short stacking energy: -172.828
Base-Backbone interact. energy: 0.045
local terms energy: -163.943331
where:
bonds (distance) C4'-P energy: -28.702
bonds (distance) P-C4' energy: -34.025
flat angles C4'-P-C4' energy: -40.060
flat angles P-C4'-P energy: -24.737
tors. eta vs tors. theta energy: -36.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -604.352886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.352886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.352886 (E_RNA)
where:
Base-Base interactions energy: -425.094
where: short stacking energy: -173.584
Base-Backbone interact. energy: -2.810
local terms energy: -176.449119
where:
bonds (distance) C4'-P energy: -32.569
bonds (distance) P-C4' energy: -40.937
flat angles C4'-P-C4' energy: -37.098
flat angles P-C4'-P energy: -17.338
tors. eta vs tors. theta energy: -48.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -585.540521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.540521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.540521 (E_RNA)
where:
Base-Base interactions energy: -408.592
where: short stacking energy: -182.954
Base-Backbone interact. energy: -0.164
local terms energy: -176.784162
where:
bonds (distance) C4'-P energy: -24.192
bonds (distance) P-C4' energy: -29.520
flat angles C4'-P-C4' energy: -39.618
flat angles P-C4'-P energy: -30.267
tors. eta vs tors. theta energy: -53.186
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: 4
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -529.210182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.210182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.210182 (E_RNA)
where:
Base-Base interactions energy: -367.778
where: short stacking energy: -163.117
Base-Backbone interact. energy: -0.162
local terms energy: -161.269599
where:
bonds (distance) C4'-P energy: -23.520
bonds (distance) P-C4' energy: -32.106
flat angles C4'-P-C4' energy: -36.648
flat angles P-C4'-P energy: -24.225
tors. eta vs tors. theta energy: -44.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -475.055505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.055505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.055505 (E_RNA)
where:
Base-Base interactions energy: -308.167
where: short stacking energy: -155.876
Base-Backbone interact. energy: -0.755
local terms energy: -166.134072
where:
bonds (distance) C4'-P energy: -33.316
bonds (distance) P-C4' energy: -31.401
flat angles C4'-P-C4' energy: -30.081
flat angles P-C4'-P energy: -26.485
tors. eta vs tors. theta energy: -44.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -508.955888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.955888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.955888 (E_RNA)
where:
Base-Base interactions energy: -348.086
where: short stacking energy: -151.732
Base-Backbone interact. energy: -0.110
local terms energy: -160.760218
where:
bonds (distance) C4'-P energy: -23.752
bonds (distance) P-C4' energy: -31.163
flat angles C4'-P-C4' energy: -35.414
flat angles P-C4'-P energy: -24.397
tors. eta vs tors. theta energy: -46.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -408.548271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.548271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.548271 (E_RNA)
where:
Base-Base interactions energy: -271.655
where: short stacking energy: -116.089
Base-Backbone interact. energy: 1.492
local terms energy: -138.385490
where:
bonds (distance) C4'-P energy: -26.045
bonds (distance) P-C4' energy: -37.312
flat angles C4'-P-C4' energy: -26.412
flat angles P-C4'-P energy: -17.573
tors. eta vs tors. theta energy: -31.044
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: 7
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -297.964192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.964192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.964192 (E_RNA)
where:
Base-Base interactions energy: -166.275
where: short stacking energy: -92.167
Base-Backbone interact. energy: -0.749
local terms energy: -130.940360
where:
bonds (distance) C4'-P energy: -23.493
bonds (distance) P-C4' energy: -35.719
flat angles C4'-P-C4' energy: -33.373
flat angles P-C4'-P energy: -23.035
tors. eta vs tors. theta energy: -15.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -180.633403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.633403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.633403 (E_RNA)
where:
Base-Base interactions energy: -75.238
where: short stacking energy: -55.110
Base-Backbone interact. energy: -0.656
local terms energy: -104.740064
where:
bonds (distance) C4'-P energy: -30.410
bonds (distance) P-C4' energy: -29.484
flat angles C4'-P-C4' energy: -35.255
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -0.415
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: 10
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -224.049358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.049358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.049358 (E_RNA)
where:
Base-Base interactions energy: -123.223
where: short stacking energy: -61.844
Base-Backbone interact. energy: -0.312
local terms energy: -100.513855
where:
bonds (distance) C4'-P energy: -25.294
bonds (distance) P-C4' energy: -24.103
flat angles C4'-P-C4' energy: -33.060
flat angles P-C4'-P energy: -18.121
tors. eta vs tors. theta energy: 0.064
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: 1, replica: 2
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -607.718035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.718035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.718035 (E_RNA)
where:
Base-Base interactions energy: -433.165
where: short stacking energy: -173.838
Base-Backbone interact. energy: -1.078
local terms energy: -173.475939
where:
bonds (distance) C4'-P energy: -33.500
bonds (distance) P-C4' energy: -33.486
flat angles C4'-P-C4' energy: -38.097
flat angles P-C4'-P energy: -24.580
tors. eta vs tors. theta energy: -43.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -589.506522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.506522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.506522 (E_RNA)
where:
Base-Base interactions energy: -411.561
where: short stacking energy: -188.112
Base-Backbone interact. energy: -0.222
local terms energy: -177.724153
where:
bonds (distance) C4'-P energy: -29.481
bonds (distance) P-C4' energy: -31.887
flat angles C4'-P-C4' energy: -37.311
flat angles P-C4'-P energy: -24.752
tors. eta vs tors. theta energy: -54.293
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: 1
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -594.010323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.010323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.010323 (E_RNA)
where:
Base-Base interactions energy: -426.508
where: short stacking energy: -174.944
Base-Backbone interact. energy: -2.130
local terms energy: -165.372163
where:
bonds (distance) C4'-P energy: -32.424
bonds (distance) P-C4' energy: -25.261
flat angles C4'-P-C4' energy: -40.259
flat angles P-C4'-P energy: -24.434
tors. eta vs tors. theta energy: -42.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -558.973020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.973020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.973020 (E_RNA)
where:
Base-Base interactions energy: -377.804
where: short stacking energy: -162.733
Base-Backbone interact. energy: -0.320
local terms energy: -180.848895
where:
bonds (distance) C4'-P energy: -29.954
bonds (distance) P-C4' energy: -37.465
flat angles C4'-P-C4' energy: -38.601
flat angles P-C4'-P energy: -28.712
tors. eta vs tors. theta energy: -46.117
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: 8
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -454.255322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.255322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.255322 (E_RNA)
where:
Base-Base interactions energy: -298.086
where: short stacking energy: -139.896
Base-Backbone interact. energy: -0.136
local terms energy: -156.032729
where:
bonds (distance) C4'-P energy: -29.926
bonds (distance) P-C4' energy: -36.949
flat angles C4'-P-C4' energy: -37.269
flat angles P-C4'-P energy: -18.517
tors. eta vs tors. theta energy: -33.371
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: 5
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -504.452647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.452647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.452647 (E_RNA)
where:
Base-Base interactions energy: -362.775
where: short stacking energy: -158.654
Base-Backbone interact. energy: -0.689
local terms energy: -140.988010
where:
bonds (distance) C4'-P energy: -19.518
bonds (distance) P-C4' energy: -31.777
flat angles C4'-P-C4' energy: -35.871
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -43.021
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: 6
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -398.270848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.270848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.270848 (E_RNA)
where:
Base-Base interactions energy: -248.144
where: short stacking energy: -105.317
Base-Backbone interact. energy: -1.632
local terms energy: -148.494337
where:
bonds (distance) C4'-P energy: -30.771
bonds (distance) P-C4' energy: -36.659
flat angles C4'-P-C4' energy: -38.266
flat angles P-C4'-P energy: -25.964
tors. eta vs tors. theta energy: -16.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -336.888040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.888040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.888040 (E_RNA)
where:
Base-Base interactions energy: -196.834
where: short stacking energy: -99.493
Base-Backbone interact. energy: -0.620
local terms energy: -139.434089
where:
bonds (distance) C4'-P energy: -24.490
bonds (distance) P-C4' energy: -34.562
flat angles C4'-P-C4' energy: -30.157
flat angles P-C4'-P energy: -26.318
tors. eta vs tors. theta energy: -23.907
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: 153
Temperature: 1.300000
Total energy: -180.809718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.809718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.809718 (E_RNA)
where:
Base-Base interactions energy: -84.981
where: short stacking energy: -60.509
Base-Backbone interact. energy: 0.240
local terms energy: -96.068740
where:
bonds (distance) C4'-P energy: -26.846
bonds (distance) P-C4' energy: -31.871
flat angles C4'-P-C4' energy: -24.743
flat angles P-C4'-P energy: -17.462
tors. eta vs tors. theta energy: 4.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -222.518818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.518818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.518818 (E_RNA)
where:
Base-Base interactions energy: -110.954
where: short stacking energy: -57.841
Base-Backbone interact. energy: -0.660
local terms energy: -110.904221
where:
bonds (distance) C4'-P energy: -27.311
bonds (distance) P-C4' energy: -36.396
flat angles C4'-P-C4' energy: -29.145
flat angles P-C4'-P energy: -13.674
tors. eta vs tors. theta energy: -4.378
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: 2
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -609.250837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.250837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.250837 (E_RNA)
where:
Base-Base interactions energy: -442.294
where: short stacking energy: -168.064
Base-Backbone interact. energy: 2.490
local terms energy: -169.447254
where:
bonds (distance) C4'-P energy: -34.589
bonds (distance) P-C4' energy: -34.896
flat angles C4'-P-C4' energy: -36.100
flat angles P-C4'-P energy: -24.217
tors. eta vs tors. theta energy: -39.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -585.836604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.836604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.836604 (E_RNA)
where:
Base-Base interactions energy: -404.547
where: short stacking energy: -186.517
Base-Backbone interact. energy: -0.043
local terms energy: -181.246223
where:
bonds (distance) C4'-P energy: -33.319
bonds (distance) P-C4' energy: -33.966
flat angles C4'-P-C4' energy: -36.613
flat angles P-C4'-P energy: -25.561
tors. eta vs tors. theta energy: -51.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -585.300833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.300833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.300833 (E_RNA)
where:
Base-Base interactions energy: -416.876
where: short stacking energy: -178.373
Base-Backbone interact. energy: -1.048
local terms energy: -167.376091
where:
bonds (distance) C4'-P energy: -25.466
bonds (distance) P-C4' energy: -25.539
flat angles C4'-P-C4' energy: -39.542
flat angles P-C4'-P energy: -27.648
tors. eta vs tors. theta energy: -49.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -530.721813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.721813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.721813 (E_RNA)
where:
Base-Base interactions energy: -377.488
where: short stacking energy: -156.455
Base-Backbone interact. energy: -1.205
local terms energy: -152.029200
where:
bonds (distance) C4'-P energy: -29.758
bonds (distance) P-C4' energy: -27.461
flat angles C4'-P-C4' energy: -31.434
flat angles P-C4'-P energy: -21.173
tors. eta vs tors. theta energy: -42.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -516.175092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.175092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.175092 (E_RNA)
where:
Base-Base interactions energy: -350.008
where: short stacking energy: -147.472
Base-Backbone interact. energy: -0.277
local terms energy: -165.890040
where:
bonds (distance) C4'-P energy: -34.846
bonds (distance) P-C4' energy: -36.506
flat angles C4'-P-C4' energy: -26.061
flat angles P-C4'-P energy: -26.866
tors. eta vs tors. theta energy: -41.612
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: 8
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -436.343814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.343814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.343814 (E_RNA)
where:
Base-Base interactions energy: -282.274
where: short stacking energy: -125.974
Base-Backbone interact. energy: -2.115
local terms energy: -151.954656
where:
bonds (distance) C4'-P energy: -31.200
bonds (distance) P-C4' energy: -28.804
flat angles C4'-P-C4' energy: -39.120
flat angles P-C4'-P energy: -24.622
tors. eta vs tors. theta energy: -28.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -382.734468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.734468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.734468 (E_RNA)
where:
Base-Base interactions energy: -255.093
where: short stacking energy: -107.500
Base-Backbone interact. energy: -0.382
local terms energy: -127.259923
where:
bonds (distance) C4'-P energy: -31.287
bonds (distance) P-C4' energy: -27.923
flat angles C4'-P-C4' energy: -33.080
flat angles P-C4'-P energy: -19.298
tors. eta vs tors. theta energy: -15.672
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: 8, replica: 7
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -321.227540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.227540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.227540 (E_RNA)
where:
Base-Base interactions energy: -195.680
where: short stacking energy: -92.729
Base-Backbone interact. energy: -0.718
local terms energy: -124.829160
where:
bonds (distance) C4'-P energy: -26.974
bonds (distance) P-C4' energy: -29.478
flat angles C4'-P-C4' energy: -28.639
flat angles P-C4'-P energy: -17.407
tors. eta vs tors. theta energy: -22.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -234.060235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.060235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.060235 (E_RNA)
where:
Base-Base interactions energy: -126.128
where: short stacking energy: -78.606
Base-Backbone interact. energy: 1.142
local terms energy: -109.074621
where:
bonds (distance) C4'-P energy: -27.078
bonds (distance) P-C4' energy: -34.635
flat angles C4'-P-C4' energy: -27.761
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -6.797
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: 10, replica: 3
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -174.885174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.885174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.885174 (E_RNA)
where:
Base-Base interactions energy: -71.725
where: short stacking energy: -56.325
Base-Backbone interact. energy: -1.991
local terms energy: -101.169394
where:
bonds (distance) C4'-P energy: -24.646
bonds (distance) P-C4' energy: -34.874
flat angles C4'-P-C4' energy: -28.748
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: -0.379
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: 155
Temperature: 0.900000
Total energy: -616.940454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.940454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.940454 (E_RNA)
where:
Base-Base interactions energy: -429.354
where: short stacking energy: -171.111
Base-Backbone interact. energy: -0.937
local terms energy: -186.649470
where:
bonds (distance) C4'-P energy: -34.957
bonds (distance) P-C4' energy: -38.049
flat angles C4'-P-C4' energy: -40.022
flat angles P-C4'-P energy: -29.855
tors. eta vs tors. theta energy: -43.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -602.741677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.741677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.741677 (E_RNA)
where:
Base-Base interactions energy: -427.454
where: short stacking energy: -172.589
Base-Backbone interact. energy: 1.358
local terms energy: -176.645598
where:
bonds (distance) C4'-P energy: -36.912
bonds (distance) P-C4' energy: -32.386
flat angles C4'-P-C4' energy: -33.373
flat angles P-C4'-P energy: -25.683
tors. eta vs tors. theta energy: -48.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -580.811418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.811418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.811418 (E_RNA)
where:
Base-Base interactions energy: -395.869
where: short stacking energy: -180.965
Base-Backbone interact. energy: -1.139
local terms energy: -183.803371
where:
bonds (distance) C4'-P energy: -32.990
bonds (distance) P-C4' energy: -32.002
flat angles C4'-P-C4' energy: -35.801
flat angles P-C4'-P energy: -27.514
tors. eta vs tors. theta energy: -55.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -532.222873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.222873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.222873 (E_RNA)
where:
Base-Base interactions energy: -360.679
where: short stacking energy: -150.470
Base-Backbone interact. energy: -0.236
local terms energy: -171.307236
where:
bonds (distance) C4'-P energy: -33.982
bonds (distance) P-C4' energy: -35.397
flat angles C4'-P-C4' energy: -36.767
flat angles P-C4'-P energy: -21.447
tors. eta vs tors. theta energy: -43.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -523.261590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.261590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.261590 (E_RNA)
where:
Base-Base interactions energy: -355.093
where: short stacking energy: -153.127
Base-Backbone interact. energy: -0.004
local terms energy: -168.164837
where:
bonds (distance) C4'-P energy: -31.008
bonds (distance) P-C4' energy: -33.532
flat angles C4'-P-C4' energy: -32.506
flat angles P-C4'-P energy: -25.155
tors. eta vs tors. theta energy: -45.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -443.316043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.316043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.316043 (E_RNA)
where:
Base-Base interactions energy: -303.896
where: short stacking energy: -133.706
Base-Backbone interact. energy: 0.458
local terms energy: -139.878030
where:
bonds (distance) C4'-P energy: -28.344
bonds (distance) P-C4' energy: -28.448
flat angles C4'-P-C4' energy: -35.162
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -34.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -404.944013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.944013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.944013 (E_RNA)
where:
Base-Base interactions energy: -270.596
where: short stacking energy: -119.664
Base-Backbone interact. energy: -0.605
local terms energy: -133.743650
where:
bonds (distance) C4'-P energy: -28.038
bonds (distance) P-C4' energy: -25.744
flat angles C4'-P-C4' energy: -30.251
flat angles P-C4'-P energy: -19.251
tors. eta vs tors. theta energy: -30.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -243.058432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.058432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.058432 (E_RNA)
where:
Base-Base interactions energy: -124.764
where: short stacking energy: -83.493
Base-Backbone interact. energy: 1.149
local terms energy: -119.443467
where:
bonds (distance) C4'-P energy: -26.368
bonds (distance) P-C4' energy: -35.747
flat angles C4'-P-C4' energy: -28.083
flat angles P-C4'-P energy: -20.847
tors. eta vs tors. theta energy: -8.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -262.743983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.743983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.743983 (E_RNA)
where:
Base-Base interactions energy: -151.395
where: short stacking energy: -91.863
Base-Backbone interact. energy: -0.283
local terms energy: -111.065469
where:
bonds (distance) C4'-P energy: -29.442
bonds (distance) P-C4' energy: -26.945
flat angles C4'-P-C4' energy: -28.858
flat angles P-C4'-P energy: -20.934
tors. eta vs tors. theta energy: -4.886
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: 3
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -157.604294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.604294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.604294 (E_RNA)
where:
Base-Base interactions energy: -57.083
where: short stacking energy: -46.479
Base-Backbone interact. energy: 0.177
local terms energy: -100.698441
where:
bonds (distance) C4'-P energy: -34.838
bonds (distance) P-C4' energy: -28.536
flat angles C4'-P-C4' energy: -25.912
flat angles P-C4'-P energy: -12.948
tors. eta vs tors. theta energy: 1.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -620.040974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.040974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.040974 (E_RNA)
where:
Base-Base interactions energy: -430.816
where: short stacking energy: -161.674
Base-Backbone interact. energy: -1.879
local terms energy: -187.345783
where:
bonds (distance) C4'-P energy: -36.581
bonds (distance) P-C4' energy: -38.058
flat angles C4'-P-C4' energy: -40.694
flat angles P-C4'-P energy: -29.753
tors. eta vs tors. theta energy: -42.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -606.500814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.500814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.500814 (E_RNA)
where:
Base-Base interactions energy: -422.618
where: short stacking energy: -173.550
Base-Backbone interact. energy: -0.489
local terms energy: -183.393946
where:
bonds (distance) C4'-P energy: -34.315
bonds (distance) P-C4' energy: -33.545
flat angles C4'-P-C4' energy: -40.210
flat angles P-C4'-P energy: -25.551
tors. eta vs tors. theta energy: -49.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -547.174910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.174910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.174910 (E_RNA)
where:
Base-Base interactions energy: -374.220
where: short stacking energy: -170.522
Base-Backbone interact. energy: -0.902
local terms energy: -172.052254
where:
bonds (distance) C4'-P energy: -25.234
bonds (distance) P-C4' energy: -35.607
flat angles C4'-P-C4' energy: -36.081
flat angles P-C4'-P energy: -28.349
tors. eta vs tors. theta energy: -46.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -567.901546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.901546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.901546 (E_RNA)
where:
Base-Base interactions energy: -386.091
where: short stacking energy: -174.860
Base-Backbone interact. energy: -0.027
local terms energy: -181.783554
where:
bonds (distance) C4'-P energy: -31.214
bonds (distance) P-C4' energy: -36.622
flat angles C4'-P-C4' energy: -38.876
flat angles P-C4'-P energy: -20.256
tors. eta vs tors. theta energy: -54.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -495.875621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.875621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.875621 (E_RNA)
where:
Base-Base interactions energy: -330.405
where: short stacking energy: -142.166
Base-Backbone interact. energy: -0.569
local terms energy: -164.901655
where:
bonds (distance) C4'-P energy: -31.182
bonds (distance) P-C4' energy: -33.122
flat angles C4'-P-C4' energy: -33.154
flat angles P-C4'-P energy: -23.312
tors. eta vs tors. theta energy: -44.132
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: 4
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -508.942515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.942515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.942515 (E_RNA)
where:
Base-Base interactions energy: -342.953
where: short stacking energy: -151.866
Base-Backbone interact. energy: 1.131
local terms energy: -167.120522
where:
bonds (distance) C4'-P energy: -32.651
bonds (distance) P-C4' energy: -33.872
flat angles C4'-P-C4' energy: -39.294
flat angles P-C4'-P energy: -20.134
tors. eta vs tors. theta energy: -41.170
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: 6
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -410.348463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.348463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.348463 (E_RNA)
where:
Base-Base interactions energy: -283.475
where: short stacking energy: -115.009
Base-Backbone interact. energy: 7.680
local terms energy: -134.554064
where:
bonds (distance) C4'-P energy: -34.559
bonds (distance) P-C4' energy: -31.879
flat angles C4'-P-C4' energy: -31.671
flat angles P-C4'-P energy: -19.576
tors. eta vs tors. theta energy: -16.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -247.372648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.372648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.372648 (E_RNA)
where:
Base-Base interactions energy: -132.213
where: short stacking energy: -79.153
Base-Backbone interact. energy: -0.163
local terms energy: -114.997365
where:
bonds (distance) C4'-P energy: -30.403
bonds (distance) P-C4' energy: -31.457
flat angles C4'-P-C4' energy: -25.736
flat angles P-C4'-P energy: -20.629
tors. eta vs tors. theta energy: -6.773
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: 9, replica: 7
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -250.842651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.842651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.842651 (E_RNA)
where:
Base-Base interactions energy: -144.249
where: short stacking energy: -71.046
Base-Backbone interact. energy: 0.111
local terms energy: -106.704638
where:
bonds (distance) C4'-P energy: -30.027
bonds (distance) P-C4' energy: -29.268
flat angles C4'-P-C4' energy: -28.491
flat angles P-C4'-P energy: -22.882
tors. eta vs tors. theta energy: 3.965
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: 3
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -171.902693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.902693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.902693 (E_RNA)
where:
Base-Base interactions energy: -70.522
where: short stacking energy: -54.907
Base-Backbone interact. energy: -1.040
local terms energy: -100.340438
where:
bonds (distance) C4'-P energy: -24.467
bonds (distance) P-C4' energy: -29.279
flat angles C4'-P-C4' energy: -27.925
flat angles P-C4'-P energy: -18.488
tors. eta vs tors. theta energy: -0.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -615.634135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.634135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.634135 (E_RNA)
where:
Base-Base interactions energy: -435.761
where: short stacking energy: -176.164
Base-Backbone interact. energy: -1.055
local terms energy: -178.817853
where:
bonds (distance) C4'-P energy: -38.053
bonds (distance) P-C4' energy: -37.288
flat angles C4'-P-C4' energy: -37.530
flat angles P-C4'-P energy: -24.283
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: 2, replica: 1
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -596.598816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.598816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.598816 (E_RNA)
where:
Base-Base interactions energy: -420.270
where: short stacking energy: -176.867
Base-Backbone interact. energy: -0.333
local terms energy: -175.995645
where:
bonds (distance) C4'-P energy: -36.180
bonds (distance) P-C4' energy: -30.233
flat angles C4'-P-C4' energy: -36.572
flat angles P-C4'-P energy: -22.718
tors. eta vs tors. theta energy: -50.293
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: 5
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -544.949077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.949077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.949077 (E_RNA)
where:
Base-Base interactions energy: -377.110
where: short stacking energy: -157.951
Base-Backbone interact. energy: 0.116
local terms energy: -167.954901
where:
bonds (distance) C4'-P energy: -31.814
bonds (distance) P-C4' energy: -38.212
flat angles C4'-P-C4' energy: -32.168
flat angles P-C4'-P energy: -22.862
tors. eta vs tors. theta energy: -42.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -582.228121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.228121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.228121 (E_RNA)
where:
Base-Base interactions energy: -402.245
where: short stacking energy: -185.446
Base-Backbone interact. energy: -0.007
local terms energy: -179.975466
where:
bonds (distance) C4'-P energy: -36.099
bonds (distance) P-C4' energy: -32.923
flat angles C4'-P-C4' energy: -39.796
flat angles P-C4'-P energy: -16.837
tors. eta vs tors. theta energy: -54.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -503.720598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.720598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.720598 (E_RNA)
where:
Base-Base interactions energy: -362.948
where: short stacking energy: -152.499
Base-Backbone interact. energy: 0.345
local terms energy: -141.118046
where:
bonds (distance) C4'-P energy: -33.682
bonds (distance) P-C4' energy: -24.399
flat angles C4'-P-C4' energy: -31.477
flat angles P-C4'-P energy: -17.194
tors. eta vs tors. theta energy: -34.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -519.128541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.128541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.128541 (E_RNA)
where:
Base-Base interactions energy: -351.684
where: short stacking energy: -151.387
Base-Backbone interact. energy: -0.543
local terms energy: -166.900656
where:
bonds (distance) C4'-P energy: -27.483
bonds (distance) P-C4' energy: -31.607
flat angles C4'-P-C4' energy: -37.641
flat angles P-C4'-P energy: -23.054
tors. eta vs tors. theta energy: -47.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -406.142013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.142013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.142013 (E_RNA)
where:
Base-Base interactions energy: -256.401
where: short stacking energy: -117.906
Base-Backbone interact. energy: -2.465
local terms energy: -147.276233
where:
bonds (distance) C4'-P energy: -25.641
bonds (distance) P-C4' energy: -34.420
flat angles C4'-P-C4' energy: -35.933
flat angles P-C4'-P energy: -21.760
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: 7
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -278.444961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.444961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.444961 (E_RNA)
where:
Base-Base interactions energy: -164.838
where: short stacking energy: -70.828
Base-Backbone interact. energy: -0.321
local terms energy: -113.285864
where:
bonds (distance) C4'-P energy: -30.279
bonds (distance) P-C4' energy: -33.479
flat angles C4'-P-C4' energy: -21.216
flat angles P-C4'-P energy: -19.172
tors. eta vs tors. theta energy: -9.140
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: 10
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -249.913768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.913768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.913768 (E_RNA)
where:
Base-Base interactions energy: -132.285
where: short stacking energy: -80.989
Base-Backbone interact. energy: 0.876
local terms energy: -118.504651
where:
bonds (distance) C4'-P energy: -33.396
bonds (distance) P-C4' energy: -28.456
flat angles C4'-P-C4' energy: -29.555
flat angles P-C4'-P energy: -19.722
tors. eta vs tors. theta energy: -7.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -164.393515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.393515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.393515 (E_RNA)
where:
Base-Base interactions energy: -60.078
where: short stacking energy: -52.944
Base-Backbone interact. energy: 1.423
local terms energy: -105.738778
where:
bonds (distance) C4'-P energy: -28.809
bonds (distance) P-C4' energy: -31.427
flat angles C4'-P-C4' energy: -30.566
flat angles P-C4'-P energy: -20.654
tors. eta vs tors. theta energy: 5.718
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: 2
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -611.643147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.643147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.643147 (E_RNA)
where:
Base-Base interactions energy: -440.392
where: short stacking energy: -160.015
Base-Backbone interact. energy: -1.299
local terms energy: -169.951910
where:
bonds (distance) C4'-P energy: -33.806
bonds (distance) P-C4' energy: -36.119
flat angles C4'-P-C4' energy: -36.578
flat angles P-C4'-P energy: -20.377
tors. eta vs tors. theta energy: -43.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -603.847837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.847837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.847837 (E_RNA)
where:
Base-Base interactions energy: -424.945
where: short stacking energy: -177.549
Base-Backbone interact. energy: -1.684
local terms energy: -177.218540
where:
bonds (distance) C4'-P energy: -32.156
bonds (distance) P-C4' energy: -31.999
flat angles C4'-P-C4' energy: -39.633
flat angles P-C4'-P energy: -27.127
tors. eta vs tors. theta energy: -46.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -581.318290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.318290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.318290 (E_RNA)
where:
Base-Base interactions energy: -403.496
where: short stacking energy: -184.953
Base-Backbone interact. energy: -0.017
local terms energy: -177.806178
where:
bonds (distance) C4'-P energy: -31.407
bonds (distance) P-C4' energy: -30.906
flat angles C4'-P-C4' energy: -36.142
flat angles P-C4'-P energy: -25.468
tors. eta vs tors. theta energy: -53.884
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: 5
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -545.027192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.027192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.027192 (E_RNA)
where:
Base-Base interactions energy: -370.953
where: short stacking energy: -164.192
Base-Backbone interact. energy: -0.041
local terms energy: -174.033420
where:
bonds (distance) C4'-P energy: -35.768
bonds (distance) P-C4' energy: -36.352
flat angles C4'-P-C4' energy: -28.972
flat angles P-C4'-P energy: -26.216
tors. eta vs tors. theta energy: -46.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -522.980224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.980224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.980224 (E_RNA)
where:
Base-Base interactions energy: -354.602
where: short stacking energy: -157.537
Base-Backbone interact. energy: -1.060
local terms energy: -167.318140
where:
bonds (distance) C4'-P energy: -25.890
bonds (distance) P-C4' energy: -40.312
flat angles C4'-P-C4' energy: -41.285
flat angles P-C4'-P energy: -18.507
tors. eta vs tors. theta energy: -41.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -498.807484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.807484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.807484 (E_RNA)
where:
Base-Base interactions energy: -334.401
where: short stacking energy: -149.119
Base-Backbone interact. energy: 1.667
local terms energy: -166.073579
where:
bonds (distance) C4'-P energy: -37.115
bonds (distance) P-C4' energy: -34.903
flat angles C4'-P-C4' energy: -31.898
flat angles P-C4'-P energy: -29.104
tors. eta vs tors. theta energy: -33.054
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: 6
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -420.464480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.464480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.464480 (E_RNA)
where:
Base-Base interactions energy: -276.134
where: short stacking energy: -137.679
Base-Backbone interact. energy: -0.504
local terms energy: -143.826544
where:
bonds (distance) C4'-P energy: -33.085
bonds (distance) P-C4' energy: -33.281
flat angles C4'-P-C4' energy: -29.857
flat angles P-C4'-P energy: -16.472
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: 158
Temperature: 1.250000
Total energy: -264.944673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.944673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.944673 (E_RNA)
where:
Base-Base interactions energy: -142.655
where: short stacking energy: -82.853
Base-Backbone interact. energy: -0.018
local terms energy: -122.272375
where:
bonds (distance) C4'-P energy: -29.685
bonds (distance) P-C4' energy: -27.013
flat angles C4'-P-C4' energy: -31.589
flat angles P-C4'-P energy: -21.028
tors. eta vs tors. theta energy: -12.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -238.114245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.114245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.114245 (E_RNA)
where:
Base-Base interactions energy: -129.077
where: short stacking energy: -85.970
Base-Backbone interact. energy: -0.381
local terms energy: -108.656380
where:
bonds (distance) C4'-P energy: -24.111
bonds (distance) P-C4' energy: -31.486
flat angles C4'-P-C4' energy: -21.422
flat angles P-C4'-P energy: -16.104
tors. eta vs tors. theta energy: -15.534
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: 10, replica: 3
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -164.816899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.816899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.816899 (E_RNA)
where:
Base-Base interactions energy: -65.472
where: short stacking energy: -51.569
Base-Backbone interact. energy: 0.932
local terms energy: -100.277356
where:
bonds (distance) C4'-P energy: -14.018
bonds (distance) P-C4' energy: -32.403
flat angles C4'-P-C4' energy: -26.410
flat angles P-C4'-P energy: -23.983
tors. eta vs tors. theta energy: -3.463
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: 159
Temperature: 0.900000
Total energy: -614.775610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.775610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.775610 (E_RNA)
where:
Base-Base interactions energy: -431.115
where: short stacking energy: -174.480
Base-Backbone interact. energy: -1.436
local terms energy: -182.224047
where:
bonds (distance) C4'-P energy: -36.596
bonds (distance) P-C4' energy: -39.192
flat angles C4'-P-C4' energy: -34.210
flat angles P-C4'-P energy: -25.834
tors. eta vs tors. theta energy: -46.392
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: 1
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -602.671027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.671027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.671027 (E_RNA)
where:
Base-Base interactions energy: -422.012
where: short stacking energy: -175.954
Base-Backbone interact. energy: -1.229
local terms energy: -179.430015
where:
bonds (distance) C4'-P energy: -33.878
bonds (distance) P-C4' energy: -32.545
flat angles C4'-P-C4' energy: -35.683
flat angles P-C4'-P energy: -28.137
tors. eta vs tors. theta energy: -49.187
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: 9
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -583.867911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.867911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.867911 (E_RNA)
where:
Base-Base interactions energy: -396.911
where: short stacking energy: -182.072
Base-Backbone interact. energy: -0.216
local terms energy: -186.740556
where:
bonds (distance) C4'-P energy: -31.674
bonds (distance) P-C4' energy: -38.579
flat angles C4'-P-C4' energy: -38.891
flat angles P-C4'-P energy: -27.187
tors. eta vs tors. theta energy: -50.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -535.560788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.560788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.560788 (E_RNA)
where:
Base-Base interactions energy: -377.018
where: short stacking energy: -164.271
Base-Backbone interact. energy: -0.211
local terms energy: -158.331789
where:
bonds (distance) C4'-P energy: -29.034
bonds (distance) P-C4' energy: -36.168
flat angles C4'-P-C4' energy: -36.124
flat angles P-C4'-P energy: -15.630
tors. eta vs tors. theta energy: -41.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -502.310619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.310619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.310619 (E_RNA)
where:
Base-Base interactions energy: -348.243
where: short stacking energy: -158.502
Base-Backbone interact. energy: -0.553
local terms energy: -153.515504
where:
bonds (distance) C4'-P energy: -22.644
bonds (distance) P-C4' energy: -34.978
flat angles C4'-P-C4' energy: -26.247
flat angles P-C4'-P energy: -23.903
tors. eta vs tors. theta energy: -45.744
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: 8
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -497.518676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.518676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.518676 (E_RNA)
where:
Base-Base interactions energy: -341.335
where: short stacking energy: -137.014
Base-Backbone interact. energy: -1.354
local terms energy: -154.829810
where:
bonds (distance) C4'-P energy: -29.621
bonds (distance) P-C4' energy: -28.472
flat angles C4'-P-C4' energy: -36.488
flat angles P-C4'-P energy: -22.294
tors. eta vs tors. theta energy: -37.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -428.762411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.762411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.762411 (E_RNA)
where:
Base-Base interactions energy: -289.916
where: short stacking energy: -137.892
Base-Backbone interact. energy: -1.100
local terms energy: -137.746915
where:
bonds (distance) C4'-P energy: -22.598
bonds (distance) P-C4' energy: -32.341
flat angles C4'-P-C4' energy: -26.312
flat angles P-C4'-P energy: -22.920
tors. eta vs tors. theta energy: -33.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -254.435775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.435775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.435775 (E_RNA)
where:
Base-Base interactions energy: -135.620
where: short stacking energy: -80.798
Base-Backbone interact. energy: 1.033
local terms energy: -119.849293
where:
bonds (distance) C4'-P energy: -32.897
bonds (distance) P-C4' energy: -27.036
flat angles C4'-P-C4' energy: -24.219
flat angles P-C4'-P energy: -20.234
tors. eta vs tors. theta energy: -15.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -266.706576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.706576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.706576 (E_RNA)
where:
Base-Base interactions energy: -142.514
where: short stacking energy: -85.417
Base-Backbone interact. energy: 0.336
local terms energy: -124.528773
where:
bonds (distance) C4'-P energy: -28.604
bonds (distance) P-C4' energy: -29.097
flat angles C4'-P-C4' energy: -29.669
flat angles P-C4'-P energy: -21.232
tors. eta vs tors. theta energy: -15.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -175.172660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.172660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.172660 (E_RNA)
where:
Base-Base interactions energy: -79.828
where: short stacking energy: -57.448
Base-Backbone interact. energy: -0.568
local terms energy: -94.776985
where:
bonds (distance) C4'-P energy: -30.570
bonds (distance) P-C4' energy: -34.491
flat angles C4'-P-C4' energy: -26.025
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: 7.311
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: 160
Temperature: 0.900000
Total energy: -614.587422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.587422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.587422 (E_RNA)
where:
Base-Base interactions energy: -442.915
where: short stacking energy: -184.303
Base-Backbone interact. energy: -1.323
local terms energy: -170.349416
where:
bonds (distance) C4'-P energy: -26.215
bonds (distance) P-C4' energy: -33.801
flat angles C4'-P-C4' energy: -37.740
flat angles P-C4'-P energy: -24.957
tors. eta vs tors. theta energy: -47.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -606.103368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.103368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.103368 (E_RNA)
where:
Base-Base interactions energy: -430.896
where: short stacking energy: -173.113
Base-Backbone interact. energy: -1.470
local terms energy: -173.737694
where:
bonds (distance) C4'-P energy: -36.277
bonds (distance) P-C4' energy: -27.151
flat angles C4'-P-C4' energy: -35.898
flat angles P-C4'-P energy: -26.397
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: 9
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -585.095357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.095357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.095357 (E_RNA)
where:
Base-Base interactions energy: -405.904
where: short stacking energy: -180.784
Base-Backbone interact. energy: 0.607
local terms energy: -179.797846
where:
bonds (distance) C4'-P energy: -29.500
bonds (distance) P-C4' energy: -35.972
flat angles C4'-P-C4' energy: -36.561
flat angles P-C4'-P energy: -27.323
tors. eta vs tors. theta energy: -50.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -551.915833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.915833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.915833 (E_RNA)
where:
Base-Base interactions energy: -376.918
where: short stacking energy: -165.290
Base-Backbone interact. energy: -1.504
local terms energy: -173.494019
where:
bonds (distance) C4'-P energy: -32.415
bonds (distance) P-C4' energy: -36.201
flat angles C4'-P-C4' energy: -32.644
flat angles P-C4'-P energy: -22.632
tors. eta vs tors. theta energy: -49.603
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: 4
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -529.050712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.050712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.050712 (E_RNA)
where:
Base-Base interactions energy: -360.893
where: short stacking energy: -145.994
Base-Backbone interact. energy: -0.128
local terms energy: -168.030134
where:
bonds (distance) C4'-P energy: -38.986
bonds (distance) P-C4' energy: -25.684
flat angles C4'-P-C4' energy: -40.512
flat angles P-C4'-P energy: -19.606
tors. eta vs tors. theta energy: -43.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -506.998152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.998152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.998152 (E_RNA)
where:
Base-Base interactions energy: -341.341
where: short stacking energy: -149.155
Base-Backbone interact. energy: 0.305
local terms energy: -165.962491
where:
bonds (distance) C4'-P energy: -38.153
bonds (distance) P-C4' energy: -30.112
flat angles C4'-P-C4' energy: -32.946
flat angles P-C4'-P energy: -27.796
tors. eta vs tors. theta energy: -36.956
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: 6
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -398.602877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.602877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.602877 (E_RNA)
where:
Base-Base interactions energy: -250.203
where: short stacking energy: -107.504
Base-Backbone interact. energy: -0.047
local terms energy: -148.352958
where:
bonds (distance) C4'-P energy: -34.588
bonds (distance) P-C4' energy: -33.902
flat angles C4'-P-C4' energy: -32.764
flat angles P-C4'-P energy: -17.431
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: 10
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -266.838261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.838261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.838261 (E_RNA)
where:
Base-Base interactions energy: -133.542
where: short stacking energy: -85.881
Base-Backbone interact. energy: 0.022
local terms energy: -133.318021
where:
bonds (distance) C4'-P energy: -37.174
bonds (distance) P-C4' energy: -23.974
flat angles C4'-P-C4' energy: -33.576
flat angles P-C4'-P energy: -20.963
tors. eta vs tors. theta energy: -17.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -275.621119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.621119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.621119 (E_RNA)
where:
Base-Base interactions energy: -147.635
where: short stacking energy: -86.497
Base-Backbone interact. energy: -0.643
local terms energy: -127.343118
where:
bonds (distance) C4'-P energy: -24.865
bonds (distance) P-C4' energy: -30.517
flat angles C4'-P-C4' energy: -36.124
flat angles P-C4'-P energy: -20.885
tors. eta vs tors. theta energy: -14.952
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: 3
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -186.725684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.725684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.725684 (E_RNA)
where:
Base-Base interactions energy: -91.741
where: short stacking energy: -58.348
Base-Backbone interact. energy: -0.203
local terms energy: -94.781446
where:
bonds (distance) C4'-P energy: -25.403
bonds (distance) P-C4' energy: -32.229
flat angles C4'-P-C4' energy: -24.245
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -2.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -618.991809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.991809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.991809 (E_RNA)
where:
Base-Base interactions energy: -427.409
where: short stacking energy: -171.668
Base-Backbone interact. energy: -1.257
local terms energy: -190.326287
where:
bonds (distance) C4'-P energy: -33.959
bonds (distance) P-C4' energy: -38.185
flat angles C4'-P-C4' energy: -41.542
flat angles P-C4'-P energy: -30.918
tors. eta vs tors. theta energy: -45.722
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: 1
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -597.676381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.676381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.676381 (E_RNA)
where:
Base-Base interactions energy: -420.057
where: short stacking energy: -168.376
Base-Backbone interact. energy: -1.971
local terms energy: -175.648769
where:
bonds (distance) C4'-P energy: -36.703
bonds (distance) P-C4' energy: -32.672
flat angles C4'-P-C4' energy: -39.651
flat angles P-C4'-P energy: -21.033
tors. eta vs tors. theta energy: -45.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -582.871799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.871799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.871799 (E_RNA)
where:
Base-Base interactions energy: -394.274
where: short stacking energy: -185.612
Base-Backbone interact. energy: -1.560
local terms energy: -187.038460
where:
bonds (distance) C4'-P energy: -32.391
bonds (distance) P-C4' energy: -35.466
flat angles C4'-P-C4' energy: -40.171
flat angles P-C4'-P energy: -24.894
tors. eta vs tors. theta energy: -54.117
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: 5
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -541.247536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.247536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.247536 (E_RNA)
where:
Base-Base interactions energy: -379.407
where: short stacking energy: -164.800
Base-Backbone interact. energy: -0.207
local terms energy: -161.633411
where:
bonds (distance) C4'-P energy: -28.799
bonds (distance) P-C4' energy: -32.565
flat angles C4'-P-C4' energy: -34.001
flat angles P-C4'-P energy: -19.471
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: 5, replica: 4
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -526.025302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.025302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.025302 (E_RNA)
where:
Base-Base interactions energy: -361.218
where: short stacking energy: -157.978
Base-Backbone interact. energy: -0.420
local terms energy: -164.387074
where:
bonds (distance) C4'-P energy: -29.260
bonds (distance) P-C4' energy: -31.622
flat angles C4'-P-C4' energy: -40.589
flat angles P-C4'-P energy: -22.087
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: 6, replica: 8
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -493.394662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.394662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.394662 (E_RNA)
where:
Base-Base interactions energy: -337.761
where: short stacking energy: -147.733
Base-Backbone interact. energy: -1.230
local terms energy: -154.403537
where:
bonds (distance) C4'-P energy: -28.140
bonds (distance) P-C4' energy: -28.387
flat angles C4'-P-C4' energy: -31.454
flat angles P-C4'-P energy: -28.272
tors. eta vs tors. theta energy: -38.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -405.122076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.122076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.122076 (E_RNA)
where:
Base-Base interactions energy: -260.186
where: short stacking energy: -116.502
Base-Backbone interact. energy: -0.748
local terms energy: -144.187860
where:
bonds (distance) C4'-P energy: -26.657
bonds (distance) P-C4' energy: -35.417
flat angles C4'-P-C4' energy: -27.739
flat angles P-C4'-P energy: -21.847
tors. eta vs tors. theta energy: -32.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -272.686133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.686133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.686133 (E_RNA)
where:
Base-Base interactions energy: -152.942
where: short stacking energy: -81.858
Base-Backbone interact. energy: -1.166
local terms energy: -118.577901
where:
bonds (distance) C4'-P energy: -34.117
bonds (distance) P-C4' energy: -35.929
flat angles C4'-P-C4' energy: -21.489
flat angles P-C4'-P energy: -17.994
tors. eta vs tors. theta energy: -9.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -276.721989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.721989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.721989 (E_RNA)
where:
Base-Base interactions energy: -157.747
where: short stacking energy: -86.135
Base-Backbone interact. energy: -0.285
local terms energy: -118.690128
where:
bonds (distance) C4'-P energy: -23.290
bonds (distance) P-C4' energy: -35.623
flat angles C4'-P-C4' energy: -34.826
flat angles P-C4'-P energy: -14.359
tors. eta vs tors. theta energy: -10.593
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: 10, replica: 3
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -199.972364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.972364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.972364 (E_RNA)
where:
Base-Base interactions energy: -111.423
where: short stacking energy: -62.417
Base-Backbone interact. energy: 0.810
local terms energy: -89.359995
where:
bonds (distance) C4'-P energy: -23.303
bonds (distance) P-C4' energy: -22.101
flat angles C4'-P-C4' energy: -27.313
flat angles P-C4'-P energy: -16.527
tors. eta vs tors. theta energy: -0.116
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: 1
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -605.424114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.424114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.424114 (E_RNA)
where:
Base-Base interactions energy: -413.997
where: short stacking energy: -171.792
Base-Backbone interact. energy: -1.610
local terms energy: -189.816911
where:
bonds (distance) C4'-P energy: -39.447
bonds (distance) P-C4' energy: -35.825
flat angles C4'-P-C4' energy: -34.130
flat angles P-C4'-P energy: -33.416
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: 2, replica: 2
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -612.476497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.476497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.476497 (E_RNA)
where:
Base-Base interactions energy: -433.510
where: short stacking energy: -170.925
Base-Backbone interact. energy: -0.757
local terms energy: -178.209261
where:
bonds (distance) C4'-P energy: -36.902
bonds (distance) P-C4' energy: -35.614
flat angles C4'-P-C4' energy: -34.696
flat angles P-C4'-P energy: -22.904
tors. eta vs tors. theta energy: -48.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -586.893490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.893490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.893490 (E_RNA)
where:
Base-Base interactions energy: -396.491
where: short stacking energy: -184.409
Base-Backbone interact. energy: -0.419
local terms energy: -189.984347
where:
bonds (distance) C4'-P energy: -32.165
bonds (distance) P-C4' energy: -36.859
flat angles C4'-P-C4' energy: -38.750
flat angles P-C4'-P energy: -27.419
tors. eta vs tors. theta energy: -54.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -547.423270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.423270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.423270 (E_RNA)
where:
Base-Base interactions energy: -381.975
where: short stacking energy: -150.617
Base-Backbone interact. energy: -0.463
local terms energy: -164.985679
where:
bonds (distance) C4'-P energy: -36.522
bonds (distance) P-C4' energy: -33.109
flat angles C4'-P-C4' energy: -36.947
flat angles P-C4'-P energy: -28.837
tors. eta vs tors. theta energy: -29.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -548.584599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.584599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.584599 (E_RNA)
where:
Base-Base interactions energy: -371.763
where: short stacking energy: -173.436
Base-Backbone interact. energy: -0.046
local terms energy: -176.775468
where:
bonds (distance) C4'-P energy: -35.964
bonds (distance) P-C4' energy: -25.549
flat angles C4'-P-C4' energy: -35.969
flat angles P-C4'-P energy: -28.688
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: 6, replica: 4
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -511.577146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.577146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.577146 (E_RNA)
where:
Base-Base interactions energy: -363.336
where: short stacking energy: -148.113
Base-Backbone interact. energy: -0.395
local terms energy: -147.845321
where:
bonds (distance) C4'-P energy: -25.219
bonds (distance) P-C4' energy: -21.075
flat angles C4'-P-C4' energy: -39.949
flat angles P-C4'-P energy: -23.170
tors. eta vs tors. theta energy: -38.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -420.381337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.381337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.381337 (E_RNA)
where:
Base-Base interactions energy: -276.695
where: short stacking energy: -130.241
Base-Backbone interact. energy: -1.337
local terms energy: -142.348957
where:
bonds (distance) C4'-P energy: -24.265
bonds (distance) P-C4' energy: -26.306
flat angles C4'-P-C4' energy: -39.791
flat angles P-C4'-P energy: -17.745
tors. eta vs tors. theta energy: -34.242
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: 10
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -252.526757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.526757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.526757 (E_RNA)
where:
Base-Base interactions energy: -146.219
where: short stacking energy: -82.056
Base-Backbone interact. energy: -0.297
local terms energy: -106.010902
where:
bonds (distance) C4'-P energy: -28.232
bonds (distance) P-C4' energy: -33.079
flat angles C4'-P-C4' energy: -30.793
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -4.401
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: 162
Temperature: 1.300000
Total energy: -229.291653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.291653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.291653 (E_RNA)
where:
Base-Base interactions energy: -116.977
where: short stacking energy: -61.554
Base-Backbone interact. energy: -0.511
local terms energy: -111.803458
where:
bonds (distance) C4'-P energy: -33.317
bonds (distance) P-C4' energy: -24.822
flat angles C4'-P-C4' energy: -32.826
flat angles P-C4'-P energy: -17.915
tors. eta vs tors. theta energy: -2.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -310.235100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.235100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.235100 (E_RNA)
where:
Base-Base interactions energy: -185.553
where: short stacking energy: -84.808
Base-Backbone interact. energy: -0.769
local terms energy: -123.912789
where:
bonds (distance) C4'-P energy: -33.020
bonds (distance) P-C4' energy: -36.398
flat angles C4'-P-C4' energy: -31.399
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -11.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -603.755570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.755570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.755570 (E_RNA)
where:
Base-Base interactions energy: -421.969
where: short stacking energy: -171.394
Base-Backbone interact. energy: -1.921
local terms energy: -179.865798
where:
bonds (distance) C4'-P energy: -31.988
bonds (distance) P-C4' energy: -34.463
flat angles C4'-P-C4' energy: -40.319
flat angles P-C4'-P energy: -26.536
tors. eta vs tors. theta energy: -46.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -597.628529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.628529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.628529 (E_RNA)
where:
Base-Base interactions energy: -423.413
where: short stacking energy: -164.465
Base-Backbone interact. energy: -0.413
local terms energy: -173.802898
where:
bonds (distance) C4'-P energy: -36.885
bonds (distance) P-C4' energy: -35.872
flat angles C4'-P-C4' energy: -31.441
flat angles P-C4'-P energy: -26.107
tors. eta vs tors. theta energy: -43.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -590.126093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.126093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.126093 (E_RNA)
where:
Base-Base interactions energy: -401.984
where: short stacking energy: -178.452
Base-Backbone interact. energy: -2.112
local terms energy: -186.030328
where:
bonds (distance) C4'-P energy: -34.769
bonds (distance) P-C4' energy: -32.361
flat angles C4'-P-C4' energy: -36.750
flat angles P-C4'-P energy: -27.442
tors. eta vs tors. theta energy: -54.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -513.822322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.822322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.822322 (E_RNA)
where:
Base-Base interactions energy: -351.680
where: short stacking energy: -156.300
Base-Backbone interact. energy: 0.055
local terms energy: -162.197430
where:
bonds (distance) C4'-P energy: -32.764
bonds (distance) P-C4' energy: -33.164
flat angles C4'-P-C4' energy: -27.718
flat angles P-C4'-P energy: -23.784
tors. eta vs tors. theta energy: -44.769
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: 5
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -500.957009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.957009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.957009 (E_RNA)
where:
Base-Base interactions energy: -355.431
where: short stacking energy: -142.181
Base-Backbone interact. energy: 0.711
local terms energy: -146.236987
where:
bonds (distance) C4'-P energy: -31.548
bonds (distance) P-C4' energy: -35.202
flat angles C4'-P-C4' energy: -26.503
flat angles P-C4'-P energy: -19.067
tors. eta vs tors. theta energy: -33.916
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: 4
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -489.069914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.069914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.069914 (E_RNA)
where:
Base-Base interactions energy: -330.868
where: short stacking energy: -136.740
Base-Backbone interact. energy: -0.781
local terms energy: -157.420461
where:
bonds (distance) C4'-P energy: -31.728
bonds (distance) P-C4' energy: -31.641
flat angles C4'-P-C4' energy: -28.845
flat angles P-C4'-P energy: -26.952
tors. eta vs tors. theta energy: -38.255
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: 7, replica: 6
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -415.710556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.710556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.710556 (E_RNA)
where:
Base-Base interactions energy: -285.931
where: short stacking energy: -123.694
Base-Backbone interact. energy: -0.430
local terms energy: -129.350295
where:
bonds (distance) C4'-P energy: -25.139
bonds (distance) P-C4' energy: -30.409
flat angles C4'-P-C4' energy: -28.117
flat angles P-C4'-P energy: -20.049
tors. eta vs tors. theta energy: -25.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -246.820927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.820927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.820927 (E_RNA)
where:
Base-Base interactions energy: -133.076
where: short stacking energy: -74.363
Base-Backbone interact. energy: 1.886
local terms energy: -115.631219
where:
bonds (distance) C4'-P energy: -32.263
bonds (distance) P-C4' energy: -26.985
flat angles C4'-P-C4' energy: -25.664
flat angles P-C4'-P energy: -14.958
tors. eta vs tors. theta energy: -15.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -241.571892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.571892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.571892 (E_RNA)
where:
Base-Base interactions energy: -114.248
where: short stacking energy: -72.976
Base-Backbone interact. energy: -0.550
local terms energy: -126.773069
where:
bonds (distance) C4'-P energy: -31.435
bonds (distance) P-C4' energy: -31.354
flat angles C4'-P-C4' energy: -24.657
flat angles P-C4'-P energy: -23.340
tors. eta vs tors. theta energy: -15.988
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: 10, replica: 7
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -316.996404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.996404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.996404 (E_RNA)
where:
Base-Base interactions energy: -205.023
where: short stacking energy: -106.477
Base-Backbone interact. energy: 3.451
local terms energy: -115.424146
where:
bonds (distance) C4'-P energy: -25.608
bonds (distance) P-C4' energy: -27.709
flat angles C4'-P-C4' energy: -19.901
flat angles P-C4'-P energy: -19.662
tors. eta vs tors. theta energy: -22.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -604.179529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.179529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.179529 (E_RNA)
where:
Base-Base interactions energy: -417.393
where: short stacking energy: -181.596
Base-Backbone interact. energy: -0.559
local terms energy: -186.227907
where:
bonds (distance) C4'-P energy: -29.728
bonds (distance) P-C4' energy: -41.079
flat angles C4'-P-C4' energy: -40.172
flat angles P-C4'-P energy: -26.690
tors. eta vs tors. theta energy: -48.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -613.605261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.605261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.605261 (E_RNA)
where:
Base-Base interactions energy: -442.541
where: short stacking energy: -170.707
Base-Backbone interact. energy: -0.666
local terms energy: -170.397964
where:
bonds (distance) C4'-P energy: -34.030
bonds (distance) P-C4' energy: -35.798
flat angles C4'-P-C4' energy: -39.301
flat angles P-C4'-P energy: -19.267
tors. eta vs tors. theta energy: -42.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -583.612183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.612183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.612183 (E_RNA)
where:
Base-Base interactions energy: -402.110
where: short stacking energy: -183.771
Base-Backbone interact. energy: -0.362
local terms energy: -181.140929
where:
bonds (distance) C4'-P energy: -28.739
bonds (distance) P-C4' energy: -34.828
flat angles C4'-P-C4' energy: -38.005
flat angles P-C4'-P energy: -25.332
tors. eta vs tors. theta energy: -54.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -549.537270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.537270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.537270 (E_RNA)
where:
Base-Base interactions energy: -381.932
where: short stacking energy: -170.949
Base-Backbone interact. energy: -0.449
local terms energy: -167.155783
where:
bonds (distance) C4'-P energy: -27.665
bonds (distance) P-C4' energy: -31.787
flat angles C4'-P-C4' energy: -42.591
flat angles P-C4'-P energy: -19.582
tors. eta vs tors. theta energy: -45.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -531.155812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.155812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.155812 (E_RNA)
where:
Base-Base interactions energy: -367.215
where: short stacking energy: -148.397
Base-Backbone interact. energy: -1.689
local terms energy: -162.251332
where:
bonds (distance) C4'-P energy: -35.249
bonds (distance) P-C4' energy: -33.227
flat angles C4'-P-C4' energy: -30.621
flat angles P-C4'-P energy: -20.586
tors. eta vs tors. theta energy: -42.568
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: 164
Temperature: 1.150000
Total energy: -504.693862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.693862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.693862 (E_RNA)
where:
Base-Base interactions energy: -355.347
where: short stacking energy: -147.453
Base-Backbone interact. energy: -0.284
local terms energy: -149.063582
where:
bonds (distance) C4'-P energy: -26.551
bonds (distance) P-C4' energy: -24.654
flat angles C4'-P-C4' energy: -28.421
flat angles P-C4'-P energy: -22.449
tors. eta vs tors. theta energy: -46.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -423.322723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.322723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.322723 (E_RNA)
where:
Base-Base interactions energy: -278.777
where: short stacking energy: -112.262
Base-Backbone interact. energy: -0.729
local terms energy: -143.816068
where:
bonds (distance) C4'-P energy: -28.293
bonds (distance) P-C4' energy: -38.267
flat angles C4'-P-C4' energy: -31.873
flat angles P-C4'-P energy: -17.297
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: 8, replica: 10
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -254.192502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.192502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.192502 (E_RNA)
where:
Base-Base interactions energy: -147.600
where: short stacking energy: -84.195
Base-Backbone interact. energy: -0.344
local terms energy: -106.248089
where:
bonds (distance) C4'-P energy: -32.744
bonds (distance) P-C4' energy: -22.272
flat angles C4'-P-C4' energy: -22.310
flat angles P-C4'-P energy: -12.836
tors. eta vs tors. theta energy: -16.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -341.563611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.563611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.563611 (E_RNA)
where:
Base-Base interactions energy: -205.625
where: short stacking energy: -94.828
Base-Backbone interact. energy: -0.432
local terms energy: -135.507079
where:
bonds (distance) C4'-P energy: -29.089
bonds (distance) P-C4' energy: -34.105
flat angles C4'-P-C4' energy: -30.368
flat angles P-C4'-P energy: -25.132
tors. eta vs tors. theta energy: -16.813
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: 3
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -178.900410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.900410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.900410 (E_RNA)
where:
Base-Base interactions energy: -84.566
where: short stacking energy: -56.003
Base-Backbone interact. energy: -0.409
local terms energy: -93.925081
where:
bonds (distance) C4'-P energy: -19.886
bonds (distance) P-C4' energy: -31.443
flat angles C4'-P-C4' energy: -26.527
flat angles P-C4'-P energy: -14.713
tors. eta vs tors. theta energy: -1.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -621.435058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.435058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.435058 (E_RNA)
where:
Base-Base interactions energy: -435.717
where: short stacking energy: -187.766
Base-Backbone interact. energy: -1.537
local terms energy: -184.180132
where:
bonds (distance) C4'-P energy: -33.989
bonds (distance) P-C4' energy: -29.857
flat angles C4'-P-C4' energy: -38.570
flat angles P-C4'-P energy: -30.242
tors. eta vs tors. theta energy: -51.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -606.060597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.060597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.060597 (E_RNA)
where:
Base-Base interactions energy: -421.259
where: short stacking energy: -177.959
Base-Backbone interact. energy: -1.347
local terms energy: -183.454674
where:
bonds (distance) C4'-P energy: -34.342
bonds (distance) P-C4' energy: -35.573
flat angles C4'-P-C4' energy: -36.310
flat angles P-C4'-P energy: -29.306
tors. eta vs tors. theta energy: -47.923
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: 9
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -584.246916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.246916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.246916 (E_RNA)
where:
Base-Base interactions energy: -403.055
where: short stacking energy: -176.575
Base-Backbone interact. energy: -1.413
local terms energy: -179.779585
where:
bonds (distance) C4'-P energy: -33.154
bonds (distance) P-C4' energy: -35.414
flat angles C4'-P-C4' energy: -35.968
flat angles P-C4'-P energy: -25.017
tors. eta vs tors. theta energy: -50.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -548.188304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.188304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.188304 (E_RNA)
where:
Base-Base interactions energy: -377.627
where: short stacking energy: -169.604
Base-Backbone interact. energy: -0.371
local terms energy: -170.190864
where:
bonds (distance) C4'-P energy: -30.307
bonds (distance) P-C4' energy: -34.439
flat angles C4'-P-C4' energy: -31.023
flat angles P-C4'-P energy: -25.825
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: 5
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -497.255864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.255864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.255864 (E_RNA)
where:
Base-Base interactions energy: -349.119
where: short stacking energy: -145.708
Base-Backbone interact. energy: -0.316
local terms energy: -147.819950
where:
bonds (distance) C4'-P energy: -30.888
bonds (distance) P-C4' energy: -29.050
flat angles C4'-P-C4' energy: -35.501
flat angles P-C4'-P energy: -21.562
tors. eta vs tors. theta energy: -30.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -509.021627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.021627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.021627 (E_RNA)
where:
Base-Base interactions energy: -355.219
where: short stacking energy: -141.767
Base-Backbone interact. energy: -0.216
local terms energy: -153.586842
where:
bonds (distance) C4'-P energy: -24.773
bonds (distance) P-C4' energy: -32.066
flat angles C4'-P-C4' energy: -30.654
flat angles P-C4'-P energy: -26.284
tors. eta vs tors. theta energy: -39.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -417.535706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.535706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.535706 (E_RNA)
where:
Base-Base interactions energy: -283.808
where: short stacking energy: -116.100
Base-Backbone interact. energy: 6.261
local terms energy: -139.988980
where:
bonds (distance) C4'-P energy: -32.792
bonds (distance) P-C4' energy: -27.222
flat angles C4'-P-C4' energy: -27.610
flat angles P-C4'-P energy: -22.975
tors. eta vs tors. theta energy: -29.390
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: 8, replica: 7
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -344.275499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.275499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.275499 (E_RNA)
where:
Base-Base interactions energy: -223.111
where: short stacking energy: -106.750
Base-Backbone interact. energy: 2.399
local terms energy: -123.563250
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -33.145
flat angles C4'-P-C4' energy: -30.188
flat angles P-C4'-P energy: -18.905
tors. eta vs tors. theta energy: -23.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -245.587935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.587935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.587935 (E_RNA)
where:
Base-Base interactions energy: -142.017
where: short stacking energy: -70.619
Base-Backbone interact. energy: 1.193
local terms energy: -104.763316
where:
bonds (distance) C4'-P energy: -30.448
bonds (distance) P-C4' energy: -28.867
flat angles C4'-P-C4' energy: -19.241
flat angles P-C4'-P energy: -19.541
tors. eta vs tors. theta energy: -6.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -222.101317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.101317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.101317 (E_RNA)
where:
Base-Base interactions energy: -127.527
where: short stacking energy: -78.258
Base-Backbone interact. energy: -0.525
local terms energy: -94.049273
where:
bonds (distance) C4'-P energy: -26.569
bonds (distance) P-C4' energy: -36.821
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -2.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -617.334613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.334613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.334613 (E_RNA)
where:
Base-Base interactions energy: -437.791
where: short stacking energy: -176.270
Base-Backbone interact. energy: -1.232
local terms energy: -178.311022
where:
bonds (distance) C4'-P energy: -34.209
bonds (distance) P-C4' energy: -33.248
flat angles C4'-P-C4' energy: -40.434
flat angles P-C4'-P energy: -25.265
tors. eta vs tors. theta energy: -45.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -603.690140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.690140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.690140 (E_RNA)
where:
Base-Base interactions energy: -418.880
where: short stacking energy: -169.985
Base-Backbone interact. energy: -0.640
local terms energy: -184.169573
where:
bonds (distance) C4'-P energy: -38.436
bonds (distance) P-C4' energy: -31.090
flat angles C4'-P-C4' energy: -39.357
flat angles P-C4'-P energy: -27.441
tors. eta vs tors. theta energy: -47.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -589.574815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.574815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.574815 (E_RNA)
where:
Base-Base interactions energy: -412.833
where: short stacking energy: -182.033
Base-Backbone interact. energy: -0.020
local terms energy: -176.722350
where:
bonds (distance) C4'-P energy: -24.058
bonds (distance) P-C4' energy: -28.878
flat angles C4'-P-C4' energy: -42.220
flat angles P-C4'-P energy: -25.663
tors. eta vs tors. theta energy: -55.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -536.356209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.356209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.356209 (E_RNA)
where:
Base-Base interactions energy: -374.716
where: short stacking energy: -170.809
Base-Backbone interact. energy: -0.632
local terms energy: -161.008494
where:
bonds (distance) C4'-P energy: -29.293
bonds (distance) P-C4' energy: -32.559
flat angles C4'-P-C4' energy: -33.479
flat angles P-C4'-P energy: -25.200
tors. eta vs tors. theta energy: -40.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -523.290884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.290884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.290884 (E_RNA)
where:
Base-Base interactions energy: -371.351
where: short stacking energy: -155.141
Base-Backbone interact. energy: 1.081
local terms energy: -153.020217
where:
bonds (distance) C4'-P energy: -24.524
bonds (distance) P-C4' energy: -29.520
flat angles C4'-P-C4' energy: -38.380
flat angles P-C4'-P energy: -22.203
tors. eta vs tors. theta energy: -38.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -461.260798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.260798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.260798 (E_RNA)
where:
Base-Base interactions energy: -319.722
where: short stacking energy: -134.315
Base-Backbone interact. energy: -0.555
local terms energy: -140.983985
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -30.847
flat angles C4'-P-C4' energy: -34.318
flat angles P-C4'-P energy: -24.370
tors. eta vs tors. theta energy: -34.860
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: 6
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -427.444560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.444560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.444560 (E_RNA)
where:
Base-Base interactions energy: -297.939
where: short stacking energy: -109.995
Base-Backbone interact. energy: -1.767
local terms energy: -127.739275
where:
bonds (distance) C4'-P energy: -24.844
bonds (distance) P-C4' energy: -24.977
flat angles C4'-P-C4' energy: -37.615
flat angles P-C4'-P energy: -18.330
tors. eta vs tors. theta energy: -21.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -369.885033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.885033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.885033 (E_RNA)
where:
Base-Base interactions energy: -256.226
where: short stacking energy: -114.607
Base-Backbone interact. energy: -1.424
local terms energy: -112.235225
where:
bonds (distance) C4'-P energy: -18.159
bonds (distance) P-C4' energy: -30.397
flat angles C4'-P-C4' energy: -26.310
flat angles P-C4'-P energy: -13.876
tors. eta vs tors. theta energy: -23.493
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: 10
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -232.577666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.577666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.577666 (E_RNA)
where:
Base-Base interactions energy: -137.486
where: short stacking energy: -83.461
Base-Backbone interact. energy: -0.761
local terms energy: -94.330257
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -33.659
flat angles C4'-P-C4' energy: -29.242
flat angles P-C4'-P energy: -8.803
tors. eta vs tors. theta energy: -5.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -203.023096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.023096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.023096 (E_RNA)
where:
Base-Base interactions energy: -96.325
where: short stacking energy: -56.672
Base-Backbone interact. energy: -1.658
local terms energy: -105.040604
where:
bonds (distance) C4'-P energy: -30.135
bonds (distance) P-C4' energy: -30.436
flat angles C4'-P-C4' energy: -24.540
flat angles P-C4'-P energy: -16.526
tors. eta vs tors. theta energy: -3.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -620.444763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.444763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.444763 (E_RNA)
where:
Base-Base interactions energy: -433.803
where: short stacking energy: -186.733
Base-Backbone interact. energy: -1.842
local terms energy: -184.799463
where:
bonds (distance) C4'-P energy: -35.611
bonds (distance) P-C4' energy: -38.267
flat angles C4'-P-C4' energy: -38.826
flat angles P-C4'-P energy: -25.021
tors. eta vs tors. theta energy: -47.075
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: 2, replica: 9
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -610.851858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.851858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.851858 (E_RNA)
where:
Base-Base interactions energy: -419.153
where: short stacking energy: -192.702
Base-Backbone interact. energy: -0.159
local terms energy: -191.539685
where:
bonds (distance) C4'-P energy: -34.302
bonds (distance) P-C4' energy: -36.500
flat angles C4'-P-C4' energy: -39.128
flat angles P-C4'-P energy: -27.215
tors. eta vs tors. theta energy: -54.395
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: 3, replica: 2
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -600.037989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.037989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.037989 (E_RNA)
where:
Base-Base interactions energy: -413.304
where: short stacking energy: -179.760
Base-Backbone interact. energy: -3.258
local terms energy: -183.475597
where:
bonds (distance) C4'-P energy: -37.574
bonds (distance) P-C4' energy: -34.619
flat angles C4'-P-C4' energy: -37.438
flat angles P-C4'-P energy: -26.873
tors. eta vs tors. theta energy: -46.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -525.181914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.181914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.181914 (E_RNA)
where:
Base-Base interactions energy: -365.611
where: short stacking energy: -151.244
Base-Backbone interact. energy: 0.898
local terms energy: -160.468323
where:
bonds (distance) C4'-P energy: -30.660
bonds (distance) P-C4' energy: -38.082
flat angles C4'-P-C4' energy: -29.164
flat angles P-C4'-P energy: -25.140
tors. eta vs tors. theta energy: -37.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -519.831770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.831770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.831770 (E_RNA)
where:
Base-Base interactions energy: -360.321
where: short stacking energy: -153.000
Base-Backbone interact. energy: -2.971
local terms energy: -156.539326
where:
bonds (distance) C4'-P energy: -28.961
bonds (distance) P-C4' energy: -34.844
flat angles C4'-P-C4' energy: -33.743
flat angles P-C4'-P energy: -18.407
tors. eta vs tors. theta energy: -40.584
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: 4
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -462.524883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.524883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.524883 (E_RNA)
where:
Base-Base interactions energy: -312.434
where: short stacking energy: -140.779
Base-Backbone interact. energy: -0.107
local terms energy: -149.984083
where:
bonds (distance) C4'-P energy: -30.061
bonds (distance) P-C4' energy: -29.620
flat angles C4'-P-C4' energy: -31.530
flat angles P-C4'-P energy: -15.211
tors. eta vs tors. theta energy: -43.562
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: 7, replica: 6
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -423.813069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.813069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.813069 (E_RNA)
where:
Base-Base interactions energy: -275.547
where: short stacking energy: -129.285
Base-Backbone interact. energy: -1.546
local terms energy: -146.720395
where:
bonds (distance) C4'-P energy: -27.017
bonds (distance) P-C4' energy: -31.946
flat angles C4'-P-C4' energy: -34.441
flat angles P-C4'-P energy: -16.527
tors. eta vs tors. theta energy: -36.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -311.506791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.506791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.506791 (E_RNA)
where:
Base-Base interactions energy: -181.806
where: short stacking energy: -94.684
Base-Backbone interact. energy: 5.399
local terms energy: -135.099276
where:
bonds (distance) C4'-P energy: -36.358
bonds (distance) P-C4' energy: -34.479
flat angles C4'-P-C4' energy: -28.746
flat angles P-C4'-P energy: -19.453
tors. eta vs tors. theta energy: -16.063
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: 10
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -237.545873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.545873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.545873 (E_RNA)
where:
Base-Base interactions energy: -135.656
where: short stacking energy: -89.231
Base-Backbone interact. energy: -1.719
local terms energy: -100.171378
where:
bonds (distance) C4'-P energy: -30.358
bonds (distance) P-C4' energy: -26.156
flat angles C4'-P-C4' energy: -25.191
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -10.551
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: 3
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -173.667970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.667970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.667970 (E_RNA)
where:
Base-Base interactions energy: -81.713
where: short stacking energy: -78.166
Base-Backbone interact. energy: 1.193
local terms energy: -93.147081
where:
bonds (distance) C4'-P energy: -19.337
bonds (distance) P-C4' energy: -27.712
flat angles C4'-P-C4' energy: -20.238
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -14.558
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: 9
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -602.778162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.778162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.778162 (E_RNA)
where:
Base-Base interactions energy: -412.027
where: short stacking energy: -177.466
Base-Backbone interact. energy: -0.036
local terms energy: -190.714532
where:
bonds (distance) C4'-P energy: -36.832
bonds (distance) P-C4' energy: -30.081
flat angles C4'-P-C4' energy: -38.011
flat angles P-C4'-P energy: -30.693
tors. eta vs tors. theta energy: -55.097
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: 2, replica: 1
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -604.541250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.541250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.541250 (E_RNA)
where:
Base-Base interactions energy: -425.952
where: short stacking energy: -174.689
Base-Backbone interact. energy: -0.720
local terms energy: -177.869356
where:
bonds (distance) C4'-P energy: -30.205
bonds (distance) P-C4' energy: -37.640
flat angles C4'-P-C4' energy: -37.643
flat angles P-C4'-P energy: -26.694
tors. eta vs tors. theta energy: -45.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -584.201130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.201130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.201130 (E_RNA)
where:
Base-Base interactions energy: -412.414
where: short stacking energy: -175.047
Base-Backbone interact. energy: -3.089
local terms energy: -168.698448
where:
bonds (distance) C4'-P energy: -31.966
bonds (distance) P-C4' energy: -31.881
flat angles C4'-P-C4' energy: -34.858
flat angles P-C4'-P energy: -24.640
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: 4, replica: 5
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -524.099203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.099203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.099203 (E_RNA)
where:
Base-Base interactions energy: -358.870
where: short stacking energy: -142.477
Base-Backbone interact. energy: -2.225
local terms energy: -163.003576
where:
bonds (distance) C4'-P energy: -29.198
bonds (distance) P-C4' energy: -32.465
flat angles C4'-P-C4' energy: -37.284
flat angles P-C4'-P energy: -23.605
tors. eta vs tors. theta energy: -40.451
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: 5, replica: 8
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -522.481844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.481844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.481844 (E_RNA)
where:
Base-Base interactions energy: -364.336
where: short stacking energy: -153.711
Base-Backbone interact. energy: -0.704
local terms energy: -157.441345
where:
bonds (distance) C4'-P energy: -22.121
bonds (distance) P-C4' energy: -27.217
flat angles C4'-P-C4' energy: -40.888
flat angles P-C4'-P energy: -26.053
tors. eta vs tors. theta energy: -41.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -444.707904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.707904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.707904 (E_RNA)
where:
Base-Base interactions energy: -303.188
where: short stacking energy: -136.682
Base-Backbone interact. energy: -0.418
local terms energy: -141.101923
where:
bonds (distance) C4'-P energy: -22.152
bonds (distance) P-C4' energy: -31.324
flat angles C4'-P-C4' energy: -29.541
flat angles P-C4'-P energy: -22.793
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: 7, replica: 6
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -451.304500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.304500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.304500 (E_RNA)
where:
Base-Base interactions energy: -301.480
where: short stacking energy: -138.998
Base-Backbone interact. energy: -0.637
local terms energy: -149.187501
where:
bonds (distance) C4'-P energy: -29.036
bonds (distance) P-C4' energy: -31.532
flat angles C4'-P-C4' energy: -32.610
flat angles P-C4'-P energy: -20.470
tors. eta vs tors. theta energy: -35.540
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: 7
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -360.241359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.241359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.241359 (E_RNA)
where:
Base-Base interactions energy: -233.063
where: short stacking energy: -116.367
Base-Backbone interact. energy: -1.147
local terms energy: -126.031114
where:
bonds (distance) C4'-P energy: -37.073
bonds (distance) P-C4' energy: -31.610
flat angles C4'-P-C4' energy: -28.286
flat angles P-C4'-P energy: -16.400
tors. eta vs tors. theta energy: -12.663
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: 3
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -199.707166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.707166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.707166 (E_RNA)
where:
Base-Base interactions energy: -97.522
where: short stacking energy: -59.068
Base-Backbone interact. energy: -0.711
local terms energy: -101.474093
where:
bonds (distance) C4'-P energy: -21.130
bonds (distance) P-C4' energy: -28.620
flat angles C4'-P-C4' energy: -26.071
flat angles P-C4'-P energy: -18.531
tors. eta vs tors. theta energy: -7.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -213.426133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.426133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.426133 (E_RNA)
where:
Base-Base interactions energy: -113.397
where: short stacking energy: -63.409
Base-Backbone interact. energy: -0.140
local terms energy: -99.889295
where:
bonds (distance) C4'-P energy: -29.694
bonds (distance) P-C4' energy: -31.348
flat angles C4'-P-C4' energy: -21.710
flat angles P-C4'-P energy: -17.795
tors. eta vs tors. theta energy: 0.659
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: 9
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -616.656414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.656414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.656414 (E_RNA)
where:
Base-Base interactions energy: -426.198
where: short stacking energy: -191.447
Base-Backbone interact. energy: -0.685
local terms energy: -189.772830
where:
bonds (distance) C4'-P energy: -36.092
bonds (distance) P-C4' energy: -36.100
flat angles C4'-P-C4' energy: -36.992
flat angles P-C4'-P energy: -27.303
tors. eta vs tors. theta energy: -53.285
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: 2
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -609.763065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.763065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.763065 (E_RNA)
where:
Base-Base interactions energy: -431.277
where: short stacking energy: -163.522
Base-Backbone interact. energy: -3.115
local terms energy: -175.370865
where:
bonds (distance) C4'-P energy: -33.197
bonds (distance) P-C4' energy: -37.664
flat angles C4'-P-C4' energy: -38.325
flat angles P-C4'-P energy: -25.306
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: 3, replica: 1
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -570.985894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.985894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.985894 (E_RNA)
where:
Base-Base interactions energy: -404.040
where: short stacking energy: -163.554
Base-Backbone interact. energy: 0.123
local terms energy: -167.068807
where:
bonds (distance) C4'-P energy: -21.436
bonds (distance) P-C4' energy: -38.522
flat angles C4'-P-C4' energy: -37.913
flat angles P-C4'-P energy: -29.504
tors. eta vs tors. theta energy: -39.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -523.216239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.216239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.216239 (E_RNA)
where:
Base-Base interactions energy: -360.341
where: short stacking energy: -159.813
Base-Backbone interact. energy: -0.633
local terms energy: -162.242023
where:
bonds (distance) C4'-P energy: -26.477
bonds (distance) P-C4' energy: -36.070
flat angles C4'-P-C4' energy: -37.144
flat angles P-C4'-P energy: -22.456
tors. eta vs tors. theta energy: -40.094
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: 5, replica: 5
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -494.837873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.837873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.837873 (E_RNA)
where:
Base-Base interactions energy: -339.518
where: short stacking energy: -153.833
Base-Backbone interact. energy: -0.492
local terms energy: -154.827913
where:
bonds (distance) C4'-P energy: -30.493
bonds (distance) P-C4' energy: -32.557
flat angles C4'-P-C4' energy: -30.696
flat angles P-C4'-P energy: -23.882
tors. eta vs tors. theta energy: -37.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -445.500866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.500866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.500866 (E_RNA)
where:
Base-Base interactions energy: -291.336
where: short stacking energy: -142.266
Base-Backbone interact. energy: -0.272
local terms energy: -153.892909
where:
bonds (distance) C4'-P energy: -30.117
bonds (distance) P-C4' energy: -36.202
flat angles C4'-P-C4' energy: -34.450
flat angles P-C4'-P energy: -19.621
tors. eta vs tors. theta energy: -33.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -430.555044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.555044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.555044 (E_RNA)
where:
Base-Base interactions energy: -280.308
where: short stacking energy: -116.897
Base-Backbone interact. energy: -1.355
local terms energy: -148.892511
where:
bonds (distance) C4'-P energy: -36.080
bonds (distance) P-C4' energy: -31.399
flat angles C4'-P-C4' energy: -32.605
flat angles P-C4'-P energy: -25.264
tors. eta vs tors. theta energy: -23.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -383.122113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.122113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.122113 (E_RNA)
where:
Base-Base interactions energy: -257.210
where: short stacking energy: -122.456
Base-Backbone interact. energy: -0.296
local terms energy: -125.616553
where:
bonds (distance) C4'-P energy: -31.136
bonds (distance) P-C4' energy: -27.580
flat angles C4'-P-C4' energy: -21.449
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: -31.218
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: 169
Temperature: 1.300000
Total energy: -175.200188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.200188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.200188 (E_RNA)
where:
Base-Base interactions energy: -66.280
where: short stacking energy: -56.750
Base-Backbone interact. energy: -0.397
local terms energy: -108.522557
where:
bonds (distance) C4'-P energy: -26.071
bonds (distance) P-C4' energy: -31.224
flat angles C4'-P-C4' energy: -32.767
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -8.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -227.040969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.040969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.040969 (E_RNA)
where:
Base-Base interactions energy: -108.268
where: short stacking energy: -60.325
Base-Backbone interact. energy: 2.902
local terms energy: -121.675058
where:
bonds (distance) C4'-P energy: -33.943
bonds (distance) P-C4' energy: -33.684
flat angles C4'-P-C4' energy: -30.741
flat angles P-C4'-P energy: -17.599
tors. eta vs tors. theta energy: -5.707
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: 170
Temperature: 0.900000
Total energy: -614.495707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.495707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.495707 (E_RNA)
where:
Base-Base interactions energy: -433.624
where: short stacking energy: -169.869
Base-Backbone interact. energy: -1.319
local terms energy: -179.552771
where:
bonds (distance) C4'-P energy: -35.525
bonds (distance) P-C4' energy: -41.352
flat angles C4'-P-C4' energy: -35.382
flat angles P-C4'-P energy: -24.246
tors. eta vs tors. theta energy: -43.047
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: 170
Temperature: 0.950000
Total energy: -587.830393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.830393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.830393 (E_RNA)
where:
Base-Base interactions energy: -402.922
where: short stacking energy: -177.666
Base-Backbone interact. energy: -0.026
local terms energy: -184.883285
where:
bonds (distance) C4'-P energy: -31.773
bonds (distance) P-C4' energy: -35.615
flat angles C4'-P-C4' energy: -35.999
flat angles P-C4'-P energy: -27.163
tors. eta vs tors. theta energy: -54.334
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: 8
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -552.558636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.558636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.558636 (E_RNA)
where:
Base-Base interactions energy: -369.354
where: short stacking energy: -161.629
Base-Backbone interact. energy: -1.104
local terms energy: -182.101058
where:
bonds (distance) C4'-P energy: -37.115
bonds (distance) P-C4' energy: -33.203
flat angles C4'-P-C4' energy: -38.075
flat angles P-C4'-P energy: -27.003
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: 4, replica: 1
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -577.209468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.209468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.209468 (E_RNA)
where:
Base-Base interactions energy: -401.588
where: short stacking energy: -161.819
Base-Backbone interact. energy: -1.506
local terms energy: -174.115327
where:
bonds (distance) C4'-P energy: -37.905
bonds (distance) P-C4' energy: -28.760
flat angles C4'-P-C4' energy: -37.695
flat angles P-C4'-P energy: -24.967
tors. eta vs tors. theta energy: -44.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -523.742474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.742474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.742474 (E_RNA)
where:
Base-Base interactions energy: -364.994
where: short stacking energy: -150.260
Base-Backbone interact. energy: -0.505
local terms energy: -158.243011
where:
bonds (distance) C4'-P energy: -33.088
bonds (distance) P-C4' energy: -28.337
flat angles C4'-P-C4' energy: -34.491
flat angles P-C4'-P energy: -23.624
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: 4
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -454.462534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.462534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.462534 (E_RNA)
where:
Base-Base interactions energy: -302.524
where: short stacking energy: -128.385
Base-Backbone interact. energy: -0.301
local terms energy: -151.638035
where:
bonds (distance) C4'-P energy: -32.625
bonds (distance) P-C4' energy: -39.121
flat angles C4'-P-C4' energy: -29.422
flat angles P-C4'-P energy: -20.967
tors. eta vs tors. theta energy: -29.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -446.554617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.554617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.554617 (E_RNA)
where:
Base-Base interactions energy: -308.231
where: short stacking energy: -124.869
Base-Backbone interact. energy: -1.462
local terms energy: -136.861184
where:
bonds (distance) C4'-P energy: -33.107
bonds (distance) P-C4' energy: -28.962
flat angles C4'-P-C4' energy: -29.251
flat angles P-C4'-P energy: -20.740
tors. eta vs tors. theta energy: -24.801
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: 8, replica: 7
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -362.441296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.441296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.441296 (E_RNA)
where:
Base-Base interactions energy: -220.945
where: short stacking energy: -112.906
Base-Backbone interact. energy: 0.153
local terms energy: -141.648970
where:
bonds (distance) C4'-P energy: -31.534
bonds (distance) P-C4' energy: -32.216
flat angles C4'-P-C4' energy: -31.278
flat angles P-C4'-P energy: -21.043
tors. eta vs tors. theta energy: -25.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -248.107797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.107797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.107797 (E_RNA)
where:
Base-Base interactions energy: -132.852
where: short stacking energy: -85.438
Base-Backbone interact. energy: -0.084
local terms energy: -115.171164
where:
bonds (distance) C4'-P energy: -21.991
bonds (distance) P-C4' energy: -31.668
flat angles C4'-P-C4' energy: -33.144
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -17.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -176.961930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.961930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.961930 (E_RNA)
where:
Base-Base interactions energy: -75.348
where: short stacking energy: -71.319
Base-Backbone interact. energy: 1.691
local terms energy: -103.304590
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -31.661
flat angles C4'-P-C4' energy: -27.327
flat angles P-C4'-P energy: -16.404
tors. eta vs tors. theta energy: -13.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -610.216882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.216882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.216882 (E_RNA)
where:
Base-Base interactions energy: -429.196
where: short stacking energy: -168.516
Base-Backbone interact. energy: -2.734
local terms energy: -178.286347
where:
bonds (distance) C4'-P energy: -32.770
bonds (distance) P-C4' energy: -39.301
flat angles C4'-P-C4' energy: -36.674
flat angles P-C4'-P energy: -23.343
tors. eta vs tors. theta energy: -46.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -583.028686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.028686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.028686 (E_RNA)
where:
Base-Base interactions energy: -405.842
where: short stacking energy: -173.856
Base-Backbone interact. energy: -0.355
local terms energy: -176.831541
where:
bonds (distance) C4'-P energy: -31.989
bonds (distance) P-C4' energy: -32.832
flat angles C4'-P-C4' energy: -36.541
flat angles P-C4'-P energy: -24.242
tors. eta vs tors. theta energy: -51.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -542.038997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.038997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.038997 (E_RNA)
where:
Base-Base interactions energy: -375.325
where: short stacking energy: -154.076
Base-Backbone interact. energy: 0.399
local terms energy: -167.113795
where:
bonds (distance) C4'-P energy: -27.114
bonds (distance) P-C4' energy: -36.090
flat angles C4'-P-C4' energy: -39.913
flat angles P-C4'-P energy: -25.601
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: 4, replica: 1
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -561.187004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.187004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.187004 (E_RNA)
where:
Base-Base interactions energy: -399.062
where: short stacking energy: -151.983
Base-Backbone interact. energy: -1.974
local terms energy: -160.150102
where:
bonds (distance) C4'-P energy: -31.018
bonds (distance) P-C4' energy: -36.692
flat angles C4'-P-C4' energy: -34.478
flat angles P-C4'-P energy: -23.366
tors. eta vs tors. theta energy: -34.597
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: 5, replica: 5
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -499.969444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.969444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.969444 (E_RNA)
where:
Base-Base interactions energy: -341.384
where: short stacking energy: -144.487
Base-Backbone interact. energy: 0.259
local terms energy: -158.845148
where:
bonds (distance) C4'-P energy: -29.468
bonds (distance) P-C4' energy: -32.434
flat angles C4'-P-C4' energy: -35.032
flat angles P-C4'-P energy: -23.313
tors. eta vs tors. theta energy: -38.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -476.308724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.308724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.308724 (E_RNA)
where:
Base-Base interactions energy: -333.676
where: short stacking energy: -126.365
Base-Backbone interact. energy: -0.306
local terms energy: -142.326617
where:
bonds (distance) C4'-P energy: -21.737
bonds (distance) P-C4' energy: -37.200
flat angles C4'-P-C4' energy: -27.156
flat angles P-C4'-P energy: -23.347
tors. eta vs tors. theta energy: -32.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -445.003422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.003422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.003422 (E_RNA)
where:
Base-Base interactions energy: -311.631
where: short stacking energy: -135.465
Base-Backbone interact. energy: -0.753
local terms energy: -132.619715
where:
bonds (distance) C4'-P energy: -29.541
bonds (distance) P-C4' energy: -26.107
flat angles C4'-P-C4' energy: -32.597
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: -31.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -251.299429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.299429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.299429 (E_RNA)
where:
Base-Base interactions energy: -133.170
where: short stacking energy: -68.191
Base-Backbone interact. energy: 2.642
local terms energy: -120.771201
where:
bonds (distance) C4'-P energy: -25.790
bonds (distance) P-C4' energy: -31.363
flat angles C4'-P-C4' energy: -34.109
flat angles P-C4'-P energy: -17.364
tors. eta vs tors. theta energy: -12.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -338.270999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.270999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.270999 (E_RNA)
where:
Base-Base interactions energy: -215.762
where: short stacking energy: -99.711
Base-Backbone interact. energy: 0.267
local terms energy: -122.775243
where:
bonds (distance) C4'-P energy: -27.692
bonds (distance) P-C4' energy: -34.530
flat angles C4'-P-C4' energy: -29.444
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -18.645
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: 3
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -179.538780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.538780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.538780 (E_RNA)
where:
Base-Base interactions energy: -74.779
where: short stacking energy: -58.540
Base-Backbone interact. energy: -0.074
local terms energy: -104.685547
where:
bonds (distance) C4'-P energy: -22.055
bonds (distance) P-C4' energy: -31.081
flat angles C4'-P-C4' energy: -26.842
flat angles P-C4'-P energy: -18.931
tors. eta vs tors. theta energy: -5.775
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: 1, replica: 2
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -608.900908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.900908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.900908 (E_RNA)
where:
Base-Base interactions energy: -425.007
where: short stacking energy: -182.583
Base-Backbone interact. energy: -1.360
local terms energy: -182.533791
where:
bonds (distance) C4'-P energy: -35.917
bonds (distance) P-C4' energy: -30.450
flat angles C4'-P-C4' energy: -41.222
flat angles P-C4'-P energy: -28.469
tors. eta vs tors. theta energy: -46.476
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: 172
Temperature: 0.950000
Total energy: -594.532097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.532097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.532097 (E_RNA)
where:
Base-Base interactions energy: -412.949
where: short stacking energy: -186.343
Base-Backbone interact. energy: -0.287
local terms energy: -181.295625
where:
bonds (distance) C4'-P energy: -31.050
bonds (distance) P-C4' energy: -32.342
flat angles C4'-P-C4' energy: -40.018
flat angles P-C4'-P energy: -27.352
tors. eta vs tors. theta energy: -50.534
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: 172
Temperature: 1.000000
Total energy: -545.733761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.733761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.733761 (E_RNA)
where:
Base-Base interactions energy: -378.805
where: short stacking energy: -159.744
Base-Backbone interact. energy: -0.126
local terms energy: -166.802449
where:
bonds (distance) C4'-P energy: -31.863
bonds (distance) P-C4' energy: -32.617
flat angles C4'-P-C4' energy: -32.037
flat angles P-C4'-P energy: -23.387
tors. eta vs tors. theta energy: -46.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -547.168125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.168125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.168125 (E_RNA)
where:
Base-Base interactions energy: -377.431
where: short stacking energy: -159.119
Base-Backbone interact. energy: -2.382
local terms energy: -167.355080
where:
bonds (distance) C4'-P energy: -34.126
bonds (distance) P-C4' energy: -31.758
flat angles C4'-P-C4' energy: -35.703
flat angles P-C4'-P energy: -24.436
tors. eta vs tors. theta energy: -41.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -513.862703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.862703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.862703 (E_RNA)
where:
Base-Base interactions energy: -346.389
where: short stacking energy: -153.373
Base-Backbone interact. energy: -0.119
local terms energy: -167.354275
where:
bonds (distance) C4'-P energy: -34.806
bonds (distance) P-C4' energy: -30.772
flat angles C4'-P-C4' energy: -38.831
flat angles P-C4'-P energy: -23.135
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: 6, replica: 6
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -476.720756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.720756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.720756 (E_RNA)
where:
Base-Base interactions energy: -329.441
where: short stacking energy: -133.210
Base-Backbone interact. energy: 5.856
local terms energy: -153.135568
where:
bonds (distance) C4'-P energy: -27.245
bonds (distance) P-C4' energy: -40.187
flat angles C4'-P-C4' energy: -27.804
flat angles P-C4'-P energy: -24.774
tors. eta vs tors. theta energy: -33.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -440.968287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.968287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.968287 (E_RNA)
where:
Base-Base interactions energy: -296.250
where: short stacking energy: -124.323
Base-Backbone interact. energy: -0.579
local terms energy: -144.138974
where:
bonds (distance) C4'-P energy: -31.224
bonds (distance) P-C4' energy: -34.599
flat angles C4'-P-C4' energy: -20.975
flat angles P-C4'-P energy: -28.271
tors. eta vs tors. theta energy: -29.069
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: 8, replica: 10
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -254.605834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.605834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.605834 (E_RNA)
where:
Base-Base interactions energy: -137.923
where: short stacking energy: -96.958
Base-Backbone interact. energy: -0.149
local terms energy: -116.533098
where:
bonds (distance) C4'-P energy: -28.727
bonds (distance) P-C4' energy: -32.250
flat angles C4'-P-C4' energy: -27.234
flat angles P-C4'-P energy: -16.562
tors. eta vs tors. theta energy: -11.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -352.489410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.489410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.489410 (E_RNA)
where:
Base-Base interactions energy: -236.456
where: short stacking energy: -99.893
Base-Backbone interact. energy: -1.031
local terms energy: -115.001731
where:
bonds (distance) C4'-P energy: -34.279
bonds (distance) P-C4' energy: -21.522
flat angles C4'-P-C4' energy: -32.269
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -15.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -160.381560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.381560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.381560 (E_RNA)
where:
Base-Base interactions energy: -64.881
where: short stacking energy: -46.219
Base-Backbone interact. energy: -1.794
local terms energy: -93.706369
where:
bonds (distance) C4'-P energy: -24.463
bonds (distance) P-C4' energy: -33.191
flat angles C4'-P-C4' energy: -22.597
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -1.222
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: 2
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -616.400170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.400170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.400170 (E_RNA)
where:
Base-Base interactions energy: -419.895
where: short stacking energy: -183.736
Base-Backbone interact. energy: -1.757
local terms energy: -194.748187
where:
bonds (distance) C4'-P energy: -38.647
bonds (distance) P-C4' energy: -38.221
flat angles C4'-P-C4' energy: -38.160
flat angles P-C4'-P energy: -26.692
tors. eta vs tors. theta energy: -53.028
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: 9
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -585.216605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.216605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.216605 (E_RNA)
where:
Base-Base interactions energy: -399.636
where: short stacking energy: -188.024
Base-Backbone interact. energy: -0.297
local terms energy: -185.283846
where:
bonds (distance) C4'-P energy: -35.007
bonds (distance) P-C4' energy: -37.755
flat angles C4'-P-C4' energy: -34.794
flat angles P-C4'-P energy: -23.007
tors. eta vs tors. theta energy: -54.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -544.324183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.324183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.324183 (E_RNA)
where:
Base-Base interactions energy: -376.125
where: short stacking energy: -161.258
Base-Backbone interact. energy: -0.964
local terms energy: -167.235408
where:
bonds (distance) C4'-P energy: -29.145
bonds (distance) P-C4' energy: -32.171
flat angles C4'-P-C4' energy: -38.439
flat angles P-C4'-P energy: -20.510
tors. eta vs tors. theta energy: -46.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -523.855927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.855927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.855927 (E_RNA)
where:
Base-Base interactions energy: -365.531
where: short stacking energy: -150.315
Base-Backbone interact. energy: -0.702
local terms energy: -157.623211
where:
bonds (distance) C4'-P energy: -27.352
bonds (distance) P-C4' energy: -26.348
flat angles C4'-P-C4' energy: -36.585
flat angles P-C4'-P energy: -26.009
tors. eta vs tors. theta energy: -41.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -529.398935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.398935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.398935 (E_RNA)
where:
Base-Base interactions energy: -360.522
where: short stacking energy: -149.265
Base-Backbone interact. energy: -1.699
local terms energy: -167.178233
where:
bonds (distance) C4'-P energy: -29.273
bonds (distance) P-C4' energy: -38.111
flat angles C4'-P-C4' energy: -34.504
flat angles P-C4'-P energy: -22.031
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: 6, replica: 6
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -461.008361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.008361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.008361 (E_RNA)
where:
Base-Base interactions energy: -315.241
where: short stacking energy: -132.507
Base-Backbone interact. energy: 1.271
local terms energy: -147.038715
where:
bonds (distance) C4'-P energy: -30.426
bonds (distance) P-C4' energy: -33.107
flat angles C4'-P-C4' energy: -32.928
flat angles P-C4'-P energy: -16.997
tors. eta vs tors. theta energy: -33.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -413.711964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.711964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.711964 (E_RNA)
where:
Base-Base interactions energy: -275.289
where: short stacking energy: -115.103
Base-Backbone interact. energy: -0.580
local terms energy: -137.843311
where:
bonds (distance) C4'-P energy: -29.493
bonds (distance) P-C4' energy: -34.038
flat angles C4'-P-C4' energy: -31.966
flat angles P-C4'-P energy: -17.113
tors. eta vs tors. theta energy: -25.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -359.805126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.805126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.805126 (E_RNA)
where:
Base-Base interactions energy: -236.844
where: short stacking energy: -102.637
Base-Backbone interact. energy: -1.392
local terms energy: -121.568776
where:
bonds (distance) C4'-P energy: -24.894
bonds (distance) P-C4' energy: -27.147
flat angles C4'-P-C4' energy: -31.886
flat angles P-C4'-P energy: -17.971
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: 9, replica: 10
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -241.966365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.966365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.966365 (E_RNA)
where:
Base-Base interactions energy: -118.175
where: short stacking energy: -62.453
Base-Backbone interact. energy: 0.241
local terms energy: -124.032822
where:
bonds (distance) C4'-P energy: -38.796
bonds (distance) P-C4' energy: -32.018
flat angles C4'-P-C4' energy: -33.482
flat angles P-C4'-P energy: -22.539
tors. eta vs tors. theta energy: 2.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -149.720829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.720829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.720829 (E_RNA)
where:
Base-Base interactions energy: -43.665
where: short stacking energy: -37.370
Base-Backbone interact. energy: -0.159
local terms energy: -105.896626
where:
bonds (distance) C4'-P energy: -32.524
bonds (distance) P-C4' energy: -19.849
flat angles C4'-P-C4' energy: -37.990
flat angles P-C4'-P energy: -18.443
tors. eta vs tors. theta energy: 2.909
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: 174
Temperature: 0.900000
Total energy: -605.072213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.072213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.072213 (E_RNA)
where:
Base-Base interactions energy: -425.718
where: short stacking energy: -164.589
Base-Backbone interact. energy: -1.958
local terms energy: -177.396820
where:
bonds (distance) C4'-P energy: -34.746
bonds (distance) P-C4' energy: -33.577
flat angles C4'-P-C4' energy: -37.996
flat angles P-C4'-P energy: -28.140
tors. eta vs tors. theta energy: -42.938
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: 9
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -592.687113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.687113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.687113 (E_RNA)
where:
Base-Base interactions energy: -406.376
where: short stacking energy: -172.691
Base-Backbone interact. energy: -0.709
local terms energy: -185.601487
where:
bonds (distance) C4'-P energy: -37.143
bonds (distance) P-C4' energy: -30.479
flat angles C4'-P-C4' energy: -40.958
flat angles P-C4'-P energy: -24.806
tors. eta vs tors. theta energy: -52.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -555.942583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.942583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.942583 (E_RNA)
where:
Base-Base interactions energy: -387.169
where: short stacking energy: -172.048
Base-Backbone interact. energy: -1.167
local terms energy: -167.607020
where:
bonds (distance) C4'-P energy: -31.105
bonds (distance) P-C4' energy: -33.416
flat angles C4'-P-C4' energy: -34.578
flat angles P-C4'-P energy: -24.476
tors. eta vs tors. theta energy: -44.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -542.519813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.519813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.519813 (E_RNA)
where:
Base-Base interactions energy: -363.752
where: short stacking energy: -162.282
Base-Backbone interact. energy: -1.564
local terms energy: -177.203808
where:
bonds (distance) C4'-P energy: -35.744
bonds (distance) P-C4' energy: -32.024
flat angles C4'-P-C4' energy: -31.422
flat angles P-C4'-P energy: -30.791
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: 5, replica: 1
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -541.527519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.527519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.527519 (E_RNA)
where:
Base-Base interactions energy: -385.672
where: short stacking energy: -162.150
Base-Backbone interact. energy: -1.198
local terms energy: -154.657794
where:
bonds (distance) C4'-P energy: -29.659
bonds (distance) P-C4' energy: -24.678
flat angles C4'-P-C4' energy: -34.933
flat angles P-C4'-P energy: -26.781
tors. eta vs tors. theta energy: -38.607
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: 6
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -464.621441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.621441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.621441 (E_RNA)
where:
Base-Base interactions energy: -316.485
where: short stacking energy: -124.878
Base-Backbone interact. energy: -1.029
local terms energy: -147.107216
where:
bonds (distance) C4'-P energy: -32.679
bonds (distance) P-C4' energy: -18.488
flat angles C4'-P-C4' energy: -37.704
flat angles P-C4'-P energy: -21.280
tors. eta vs tors. theta energy: -36.956
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: 174
Temperature: 1.200000
Total energy: -400.161173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.161173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.161173 (E_RNA)
where:
Base-Base interactions energy: -268.450
where: short stacking energy: -122.690
Base-Backbone interact. energy: -0.022
local terms energy: -131.689280
where:
bonds (distance) C4'-P energy: -29.391
bonds (distance) P-C4' energy: -25.864
flat angles C4'-P-C4' energy: -27.037
flat angles P-C4'-P energy: -19.943
tors. eta vs tors. theta energy: -29.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -354.413875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.413875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.413875 (E_RNA)
where:
Base-Base interactions energy: -209.965
where: short stacking energy: -99.533
Base-Backbone interact. energy: -0.869
local terms energy: -143.579369
where:
bonds (distance) C4'-P energy: -33.141
bonds (distance) P-C4' energy: -36.419
flat angles C4'-P-C4' energy: -30.607
flat angles P-C4'-P energy: -21.595
tors. eta vs tors. theta energy: -21.817
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: 9, replica: 10
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -244.093079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.093079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.093079 (E_RNA)
where:
Base-Base interactions energy: -126.748
where: short stacking energy: -73.548
Base-Backbone interact. energy: -0.552
local terms energy: -116.793019
where:
bonds (distance) C4'-P energy: -26.525
bonds (distance) P-C4' energy: -37.687
flat angles C4'-P-C4' energy: -20.994
flat angles P-C4'-P energy: -17.323
tors. eta vs tors. theta energy: -14.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -157.374240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.374240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.374240 (E_RNA)
where:
Base-Base interactions energy: -62.751
where: short stacking energy: -45.187
Base-Backbone interact. energy: 0.301
local terms energy: -94.923798
where:
bonds (distance) C4'-P energy: -28.283
bonds (distance) P-C4' energy: -32.737
flat angles C4'-P-C4' energy: -25.149
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: 4.264
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: 1, replica: 2
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -614.576565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.576565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.576565 (E_RNA)
where:
Base-Base interactions energy: -437.657
where: short stacking energy: -177.504
Base-Backbone interact. energy: 0.160
local terms energy: -177.079344
where:
bonds (distance) C4'-P energy: -30.399
bonds (distance) P-C4' energy: -38.204
flat angles C4'-P-C4' energy: -34.649
flat angles P-C4'-P energy: -27.471
tors. eta vs tors. theta energy: -46.356
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: 175
Temperature: 0.950000
Total energy: -598.945972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.945972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.945972 (E_RNA)
where:
Base-Base interactions energy: -407.640
where: short stacking energy: -181.398
Base-Backbone interact. energy: -0.238
local terms energy: -191.068389
where:
bonds (distance) C4'-P energy: -30.450
bonds (distance) P-C4' energy: -41.300
flat angles C4'-P-C4' energy: -36.246
flat angles P-C4'-P energy: -30.914
tors. eta vs tors. theta energy: -52.158
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: 175
Temperature: 1.000000
Total energy: -546.821955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.821955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.821955 (E_RNA)
where:
Base-Base interactions energy: -376.793
where: short stacking energy: -163.164
Base-Backbone interact. energy: -0.268
local terms energy: -169.760887
where:
bonds (distance) C4'-P energy: -36.760
bonds (distance) P-C4' energy: -27.084
flat angles C4'-P-C4' energy: -32.837
flat angles P-C4'-P energy: -25.236
tors. eta vs tors. theta energy: -47.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -577.059018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.059018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.059018 (E_RNA)
where:
Base-Base interactions energy: -405.487
where: short stacking energy: -160.180
Base-Backbone interact. energy: -0.235
local terms energy: -171.336079
where:
bonds (distance) C4'-P energy: -36.778
bonds (distance) P-C4' energy: -30.462
flat angles C4'-P-C4' energy: -33.907
flat angles P-C4'-P energy: -23.419
tors. eta vs tors. theta energy: -46.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -527.828903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.828903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.828903 (E_RNA)
where:
Base-Base interactions energy: -374.305
where: short stacking energy: -149.592
Base-Backbone interact. energy: -0.738
local terms energy: -152.785220
where:
bonds (distance) C4'-P energy: -25.530
bonds (distance) P-C4' energy: -33.397
flat angles C4'-P-C4' energy: -31.563
flat angles P-C4'-P energy: -26.736
tors. eta vs tors. theta energy: -35.559
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: 6, replica: 6
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -457.403459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.403459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.403459 (E_RNA)
where:
Base-Base interactions energy: -319.263
where: short stacking energy: -146.503
Base-Backbone interact. energy: -0.759
local terms energy: -137.382050
where:
bonds (distance) C4'-P energy: -25.443
bonds (distance) P-C4' energy: -21.533
flat angles C4'-P-C4' energy: -31.776
flat angles P-C4'-P energy: -22.220
tors. eta vs tors. theta energy: -36.411
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: 4
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -427.940022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.940022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.940022 (E_RNA)
where:
Base-Base interactions energy: -281.268
where: short stacking energy: -126.988
Base-Backbone interact. energy: 0.615
local terms energy: -147.287287
where:
bonds (distance) C4'-P energy: -32.323
bonds (distance) P-C4' energy: -30.129
flat angles C4'-P-C4' energy: -35.401
flat angles P-C4'-P energy: -22.839
tors. eta vs tors. theta energy: -26.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -262.204908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.204908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.204908 (E_RNA)
where:
Base-Base interactions energy: -150.399
where: short stacking energy: -97.759
Base-Backbone interact. energy: 3.085
local terms energy: -114.890524
where:
bonds (distance) C4'-P energy: -35.239
bonds (distance) P-C4' energy: -21.473
flat angles C4'-P-C4' energy: -29.495
flat angles P-C4'-P energy: -14.440
tors. eta vs tors. theta energy: -14.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -344.744169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.744169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.744169 (E_RNA)
where:
Base-Base interactions energy: -228.882
where: short stacking energy: -115.493
Base-Backbone interact. energy: 0.073
local terms energy: -115.935208
where:
bonds (distance) C4'-P energy: -29.314
bonds (distance) P-C4' energy: -18.382
flat angles C4'-P-C4' energy: -31.080
flat angles P-C4'-P energy: -17.641
tors. eta vs tors. theta energy: -19.519
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: 3
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -166.544863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.544863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.544863 (E_RNA)
where:
Base-Base interactions energy: -78.916
where: short stacking energy: -53.164
Base-Backbone interact. energy: -0.323
local terms energy: -87.305894
where:
bonds (distance) C4'-P energy: -23.990
bonds (distance) P-C4' energy: -33.926
flat angles C4'-P-C4' energy: -27.325
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: 6.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -609.415400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.415400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.415400 (E_RNA)
where:
Base-Base interactions energy: -424.879
where: short stacking energy: -186.110
Base-Backbone interact. energy: -0.864
local terms energy: -183.672468
where:
bonds (distance) C4'-P energy: -31.290
bonds (distance) P-C4' energy: -29.969
flat angles C4'-P-C4' energy: -42.385
flat angles P-C4'-P energy: -27.501
tors. eta vs tors. theta energy: -52.526
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: 2
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -599.035707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.035707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.035707 (E_RNA)
where:
Base-Base interactions energy: -413.509
where: short stacking energy: -171.734
Base-Backbone interact. energy: -1.785
local terms energy: -183.741652
where:
bonds (distance) C4'-P energy: -26.477
bonds (distance) P-C4' energy: -38.450
flat angles C4'-P-C4' energy: -39.263
flat angles P-C4'-P energy: -30.353
tors. eta vs tors. theta energy: -49.199
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: 1
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -565.506769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.506769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.506769 (E_RNA)
where:
Base-Base interactions energy: -388.626
where: short stacking energy: -158.186
Base-Backbone interact. energy: -2.682
local terms energy: -174.198776
where:
bonds (distance) C4'-P energy: -38.918
bonds (distance) P-C4' energy: -35.082
flat angles C4'-P-C4' energy: -34.390
flat angles P-C4'-P energy: -20.432
tors. eta vs tors. theta energy: -45.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -526.198536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.198536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.198536 (E_RNA)
where:
Base-Base interactions energy: -360.617
where: short stacking energy: -162.837
Base-Backbone interact. energy: -0.334
local terms energy: -165.247246
where:
bonds (distance) C4'-P energy: -33.179
bonds (distance) P-C4' energy: -30.623
flat angles C4'-P-C4' energy: -37.704
flat angles P-C4'-P energy: -20.090
tors. eta vs tors. theta energy: -43.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -524.344890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.344890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.344890 (E_RNA)
where:
Base-Base interactions energy: -362.098
where: short stacking energy: -161.273
Base-Backbone interact. energy: -0.132
local terms energy: -162.114200
where:
bonds (distance) C4'-P energy: -34.582
bonds (distance) P-C4' energy: -29.106
flat angles C4'-P-C4' energy: -36.977
flat angles P-C4'-P energy: -18.894
tors. eta vs tors. theta energy: -42.555
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: 6
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -460.008729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.008729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.008729 (E_RNA)
where:
Base-Base interactions energy: -311.246
where: short stacking energy: -137.209
Base-Backbone interact. energy: -1.383
local terms energy: -147.379208
where:
bonds (distance) C4'-P energy: -28.671
bonds (distance) P-C4' energy: -31.730
flat angles C4'-P-C4' energy: -35.690
flat angles P-C4'-P energy: -22.462
tors. eta vs tors. theta energy: -28.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -430.825302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.825302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.825302 (E_RNA)
where:
Base-Base interactions energy: -285.226
where: short stacking energy: -127.931
Base-Backbone interact. energy: -0.607
local terms energy: -144.992035
where:
bonds (distance) C4'-P energy: -28.195
bonds (distance) P-C4' energy: -33.129
flat angles C4'-P-C4' energy: -29.051
flat angles P-C4'-P energy: -28.926
tors. eta vs tors. theta energy: -25.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -237.933313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.933313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.933313 (E_RNA)
where:
Base-Base interactions energy: -135.145
where: short stacking energy: -80.561
Base-Backbone interact. energy: 1.743
local terms energy: -104.531124
where:
bonds (distance) C4'-P energy: -28.300
bonds (distance) P-C4' energy: -31.363
flat angles C4'-P-C4' energy: -25.277
flat angles P-C4'-P energy: -15.442
tors. eta vs tors. theta energy: -4.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -346.331655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.331655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.331655 (E_RNA)
where:
Base-Base interactions energy: -217.641
where: short stacking energy: -92.467
Base-Backbone interact. energy: 2.996
local terms energy: -131.686260
where:
bonds (distance) C4'-P energy: -27.681
bonds (distance) P-C4' energy: -37.786
flat angles C4'-P-C4' energy: -32.784
flat angles P-C4'-P energy: -17.489
tors. eta vs tors. theta energy: -15.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -205.313641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.313641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.313641 (E_RNA)
where:
Base-Base interactions energy: -119.477
where: short stacking energy: -79.541
Base-Backbone interact. energy: 0.407
local terms energy: -86.243563
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -30.383
flat angles C4'-P-C4' energy: -27.031
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -3.956
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: 177
Temperature: 0.900000
Total energy: -606.060206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.060206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.060206 (E_RNA)
where:
Base-Base interactions energy: -416.646
where: short stacking energy: -187.518
Base-Backbone interact. energy: -0.055
local terms energy: -189.359061
where:
bonds (distance) C4'-P energy: -31.343
bonds (distance) P-C4' energy: -37.540
flat angles C4'-P-C4' energy: -38.860
flat angles P-C4'-P energy: -27.775
tors. eta vs tors. theta energy: -53.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -605.098754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.098754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.098754 (E_RNA)
where:
Base-Base interactions energy: -430.397
where: short stacking energy: -175.926
Base-Backbone interact. energy: -1.083
local terms energy: -173.618867
where:
bonds (distance) C4'-P energy: -32.513
bonds (distance) P-C4' energy: -29.815
flat angles C4'-P-C4' energy: -37.030
flat angles P-C4'-P energy: -23.929
tors. eta vs tors. theta energy: -50.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -556.240177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.240177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.240177 (E_RNA)
where:
Base-Base interactions energy: -394.894
where: short stacking energy: -165.084
Base-Backbone interact. energy: -1.938
local terms energy: -159.408929
where:
bonds (distance) C4'-P energy: -32.821
bonds (distance) P-C4' energy: -31.592
flat angles C4'-P-C4' energy: -27.181
flat angles P-C4'-P energy: -23.700
tors. eta vs tors. theta energy: -44.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -529.617231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.617231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.617231 (E_RNA)
where:
Base-Base interactions energy: -360.309
where: short stacking energy: -156.512
Base-Backbone interact. energy: -0.856
local terms energy: -168.451472
where:
bonds (distance) C4'-P energy: -32.133
bonds (distance) P-C4' energy: -27.779
flat angles C4'-P-C4' energy: -36.822
flat angles P-C4'-P energy: -25.413
tors. eta vs tors. theta energy: -46.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -503.271265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.271265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.271265 (E_RNA)
where:
Base-Base interactions energy: -352.383
where: short stacking energy: -149.588
Base-Backbone interact. energy: -0.946
local terms energy: -149.942873
where:
bonds (distance) C4'-P energy: -34.438
bonds (distance) P-C4' energy: -27.091
flat angles C4'-P-C4' energy: -34.281
flat angles P-C4'-P energy: -20.011
tors. eta vs tors. theta energy: -34.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -452.387499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.387499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.387499 (E_RNA)
where:
Base-Base interactions energy: -313.602
where: short stacking energy: -130.654
Base-Backbone interact. energy: 0.372
local terms energy: -139.157438
where:
bonds (distance) C4'-P energy: -19.996
bonds (distance) P-C4' energy: -35.390
flat angles C4'-P-C4' energy: -37.424
flat angles P-C4'-P energy: -21.578
tors. eta vs tors. theta energy: -24.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -442.926675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.926675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.926675 (E_RNA)
where:
Base-Base interactions energy: -308.047
where: short stacking energy: -137.664
Base-Backbone interact. energy: 0.941
local terms energy: -135.820623
where:
bonds (distance) C4'-P energy: -22.657
bonds (distance) P-C4' energy: -25.762
flat angles C4'-P-C4' energy: -36.344
flat angles P-C4'-P energy: -21.631
tors. eta vs tors. theta energy: -29.426
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: 7
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -348.986398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.986398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.986398 (E_RNA)
where:
Base-Base interactions energy: -227.455
where: short stacking energy: -121.857
Base-Backbone interact. energy: 0.124
local terms energy: -121.655046
where:
bonds (distance) C4'-P energy: -17.278
bonds (distance) P-C4' energy: -26.059
flat angles C4'-P-C4' energy: -30.821
flat angles P-C4'-P energy: -21.641
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: 9, replica: 10
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -232.791206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.791206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.791206 (E_RNA)
where:
Base-Base interactions energy: -132.648
where: short stacking energy: -76.812
Base-Backbone interact. energy: -0.642
local terms energy: -99.501796
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -27.951
flat angles C4'-P-C4' energy: -26.340
flat angles P-C4'-P energy: -16.910
tors. eta vs tors. theta energy: -9.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -158.709189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.709189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.709189 (E_RNA)
where:
Base-Base interactions energy: -55.828
where: short stacking energy: -55.739
Base-Backbone interact. energy: 1.686
local terms energy: -104.566964
where:
bonds (distance) C4'-P energy: -24.982
bonds (distance) P-C4' energy: -37.012
flat angles C4'-P-C4' energy: -23.260
flat angles P-C4'-P energy: -18.640
tors. eta vs tors. theta energy: -0.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -606.873669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.873669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.873669 (E_RNA)
where:
Base-Base interactions energy: -428.996
where: short stacking energy: -175.698
Base-Backbone interact. energy: -1.322
local terms energy: -176.555820
where:
bonds (distance) C4'-P energy: -37.259
bonds (distance) P-C4' energy: -32.731
flat angles C4'-P-C4' energy: -40.785
flat angles P-C4'-P energy: -21.493
tors. eta vs tors. theta energy: -44.288
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: 9
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -602.374532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.374532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.374532 (E_RNA)
where:
Base-Base interactions energy: -410.947
where: short stacking energy: -179.355
Base-Backbone interact. energy: -0.390
local terms energy: -191.037459
where:
bonds (distance) C4'-P energy: -39.830
bonds (distance) P-C4' energy: -30.937
flat angles C4'-P-C4' energy: -38.562
flat angles P-C4'-P energy: -30.041
tors. eta vs tors. theta energy: -51.666
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: 1
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -563.238540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.238540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.238540 (E_RNA)
where:
Base-Base interactions energy: -396.014
where: short stacking energy: -151.697
Base-Backbone interact. energy: -0.407
local terms energy: -166.817448
where:
bonds (distance) C4'-P energy: -35.358
bonds (distance) P-C4' energy: -31.201
flat angles C4'-P-C4' energy: -38.183
flat angles P-C4'-P energy: -27.047
tors. eta vs tors. theta energy: -35.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -523.398229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.398229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.398229 (E_RNA)
where:
Base-Base interactions energy: -359.473
where: short stacking energy: -164.748
Base-Backbone interact. energy: -0.367
local terms energy: -163.557952
where:
bonds (distance) C4'-P energy: -29.699
bonds (distance) P-C4' energy: -29.567
flat angles C4'-P-C4' energy: -35.360
flat angles P-C4'-P energy: -27.630
tors. eta vs tors. theta energy: -41.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -508.245902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.245902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.245902 (E_RNA)
where:
Base-Base interactions energy: -366.433
where: short stacking energy: -150.354
Base-Backbone interact. energy: -0.519
local terms energy: -141.293640
where:
bonds (distance) C4'-P energy: -29.909
bonds (distance) P-C4' energy: -27.511
flat angles C4'-P-C4' energy: -28.393
flat angles P-C4'-P energy: -18.902
tors. eta vs tors. theta energy: -36.578
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: 178
Temperature: 1.150000
Total energy: -496.028112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.028112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.028112 (E_RNA)
where:
Base-Base interactions energy: -344.382
where: short stacking energy: -139.164
Base-Backbone interact. energy: -0.828
local terms energy: -150.817903
where:
bonds (distance) C4'-P energy: -29.518
bonds (distance) P-C4' energy: -33.269
flat angles C4'-P-C4' energy: -35.668
flat angles P-C4'-P energy: -14.961
tors. eta vs tors. theta energy: -37.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -423.721900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.721900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.721900 (E_RNA)
where:
Base-Base interactions energy: -290.413
where: short stacking energy: -139.833
Base-Backbone interact. energy: -0.691
local terms energy: -132.617879
where:
bonds (distance) C4'-P energy: -27.769
bonds (distance) P-C4' energy: -27.307
flat angles C4'-P-C4' energy: -31.382
flat angles P-C4'-P energy: -16.588
tors. eta vs tors. theta energy: -29.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -384.493413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.493413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.493413 (E_RNA)
where:
Base-Base interactions energy: -250.486
where: short stacking energy: -126.552
Base-Backbone interact. energy: 0.619
local terms energy: -134.625888
where:
bonds (distance) C4'-P energy: -34.171
bonds (distance) P-C4' energy: -35.440
flat angles C4'-P-C4' energy: -23.810
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -27.017
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: 10
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -239.307233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.307233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.307233 (E_RNA)
where:
Base-Base interactions energy: -114.635
where: short stacking energy: -64.386
Base-Backbone interact. energy: -1.123
local terms energy: -123.548688
where:
bonds (distance) C4'-P energy: -29.377
bonds (distance) P-C4' energy: -32.204
flat angles C4'-P-C4' energy: -32.986
flat angles P-C4'-P energy: -20.495
tors. eta vs tors. theta energy: -8.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -172.001097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.001097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.001097 (E_RNA)
where:
Base-Base interactions energy: -71.607
where: short stacking energy: -55.959
Base-Backbone interact. energy: -1.091
local terms energy: -99.302355
where:
bonds (distance) C4'-P energy: -25.486
bonds (distance) P-C4' energy: -25.557
flat angles C4'-P-C4' energy: -22.865
flat angles P-C4'-P energy: -22.483
tors. eta vs tors. theta energy: -2.912
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: 179
Temperature: 0.900000
Total energy: -623.435374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.435374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.435374 (E_RNA)
where:
Base-Base interactions energy: -435.151
where: short stacking energy: -174.792
Base-Backbone interact. energy: -1.089
local terms energy: -187.195215
where:
bonds (distance) C4'-P energy: -39.148
bonds (distance) P-C4' energy: -36.306
flat angles C4'-P-C4' energy: -35.068
flat angles P-C4'-P energy: -27.186
tors. eta vs tors. theta energy: -49.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -594.722743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.722743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.722743 (E_RNA)
where:
Base-Base interactions energy: -408.975
where: short stacking energy: -175.444
Base-Backbone interact. energy: 3.408
local terms energy: -189.155737
where:
bonds (distance) C4'-P energy: -36.896
bonds (distance) P-C4' energy: -33.083
flat angles C4'-P-C4' energy: -35.678
flat angles P-C4'-P energy: -31.379
tors. eta vs tors. theta energy: -52.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -576.981429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.981429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.981429 (E_RNA)
where:
Base-Base interactions energy: -422.046
where: short stacking energy: -158.608
Base-Backbone interact. energy: -1.397
local terms energy: -153.538490
where:
bonds (distance) C4'-P energy: -29.820
bonds (distance) P-C4' energy: -31.591
flat angles C4'-P-C4' energy: -32.146
flat angles P-C4'-P energy: -22.989
tors. eta vs tors. theta energy: -36.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -519.508388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.508388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.508388 (E_RNA)
where:
Base-Base interactions energy: -352.484
where: short stacking energy: -155.524
Base-Backbone interact. energy: -0.861
local terms energy: -166.163619
where:
bonds (distance) C4'-P energy: -20.028
bonds (distance) P-C4' energy: -38.625
flat angles C4'-P-C4' energy: -35.981
flat angles P-C4'-P energy: -30.451
tors. eta vs tors. theta energy: -41.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -497.793633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.793633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.793633 (E_RNA)
where:
Base-Base interactions energy: -347.919
where: short stacking energy: -146.755
Base-Backbone interact. energy: -0.762
local terms energy: -149.113183
where:
bonds (distance) C4'-P energy: -23.209
bonds (distance) P-C4' energy: -29.833
flat angles C4'-P-C4' energy: -33.221
flat angles P-C4'-P energy: -24.888
tors. eta vs tors. theta energy: -37.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -466.731879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.731879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.731879 (E_RNA)
where:
Base-Base interactions energy: -337.252
where: short stacking energy: -144.022
Base-Backbone interact. energy: -0.486
local terms energy: -128.994466
where:
bonds (distance) C4'-P energy: -30.770
bonds (distance) P-C4' energy: -27.397
flat angles C4'-P-C4' energy: -25.171
flat angles P-C4'-P energy: -17.263
tors. eta vs tors. theta energy: -28.394
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: 6
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -429.638221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.638221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.638221 (E_RNA)
where:
Base-Base interactions energy: -285.856
where: short stacking energy: -129.173
Base-Backbone interact. energy: -0.005
local terms energy: -143.776742
where:
bonds (distance) C4'-P energy: -26.023
bonds (distance) P-C4' energy: -25.919
flat angles C4'-P-C4' energy: -35.968
flat angles P-C4'-P energy: -21.762
tors. eta vs tors. theta energy: -34.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -393.213005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.213005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.213005 (E_RNA)
where:
Base-Base interactions energy: -251.518
where: short stacking energy: -127.207
Base-Backbone interact. energy: -1.595
local terms energy: -140.100392
where:
bonds (distance) C4'-P energy: -22.638
bonds (distance) P-C4' energy: -24.402
flat angles C4'-P-C4' energy: -34.141
flat angles P-C4'-P energy: -26.544
tors. eta vs tors. theta energy: -32.375
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: 10
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -222.664108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.664108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.664108 (E_RNA)
where:
Base-Base interactions energy: -130.321
where: short stacking energy: -75.822
Base-Backbone interact. energy: 2.118
local terms energy: -94.460993
where:
bonds (distance) C4'-P energy: -25.155
bonds (distance) P-C4' energy: -21.274
flat angles C4'-P-C4' energy: -26.274
flat angles P-C4'-P energy: -16.163
tors. eta vs tors. theta energy: -5.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -191.636888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.636888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.636888 (E_RNA)
where:
Base-Base interactions energy: -99.956
where: short stacking energy: -71.416
Base-Backbone interact. energy: -0.384
local terms energy: -91.296801
where:
bonds (distance) C4'-P energy: -27.691
bonds (distance) P-C4' energy: -29.318
flat angles C4'-P-C4' energy: -21.209
flat angles P-C4'-P energy: -17.779
tors. eta vs tors. theta energy: 4.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -603.506336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.506336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.506336 (E_RNA)
where:
Base-Base interactions energy: -429.059
where: short stacking energy: -167.211
Base-Backbone interact. energy: -1.475
local terms energy: -172.973067
where:
bonds (distance) C4'-P energy: -35.310
bonds (distance) P-C4' energy: -32.059
flat angles C4'-P-C4' energy: -39.085
flat angles P-C4'-P energy: -22.774
tors. eta vs tors. theta energy: -43.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -580.852350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.852350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.852350 (E_RNA)
where:
Base-Base interactions energy: -402.122
where: short stacking energy: -173.354
Base-Backbone interact. energy: -0.105
local terms energy: -178.624550
where:
bonds (distance) C4'-P energy: -39.610
bonds (distance) P-C4' energy: -29.170
flat angles C4'-P-C4' energy: -32.130
flat angles P-C4'-P energy: -27.146
tors. eta vs tors. theta energy: -50.568
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: 1
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -580.368141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.368141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.368141 (E_RNA)
where:
Base-Base interactions energy: -417.695
where: short stacking energy: -176.310
Base-Backbone interact. energy: -0.771
local terms energy: -161.901590
where:
bonds (distance) C4'-P energy: -30.043
bonds (distance) P-C4' energy: -33.556
flat angles C4'-P-C4' energy: -26.840
flat angles P-C4'-P energy: -26.708
tors. eta vs tors. theta energy: -44.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -536.135050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.135050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.135050 (E_RNA)
where:
Base-Base interactions energy: -370.959
where: short stacking energy: -160.338
Base-Backbone interact. energy: -2.320
local terms energy: -162.855930
where:
bonds (distance) C4'-P energy: -30.598
bonds (distance) P-C4' energy: -38.224
flat angles C4'-P-C4' energy: -37.158
flat angles P-C4'-P energy: -12.911
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: 5, replica: 5
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -524.429143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.429143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.429143 (E_RNA)
where:
Base-Base interactions energy: -372.841
where: short stacking energy: -132.489
Base-Backbone interact. energy: -1.212
local terms energy: -150.375961
where:
bonds (distance) C4'-P energy: -25.029
bonds (distance) P-C4' energy: -31.371
flat angles C4'-P-C4' energy: -33.180
flat angles P-C4'-P energy: -19.001
tors. eta vs tors. theta energy: -41.795
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: 4
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -458.469450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.469450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.469450 (E_RNA)
where:
Base-Base interactions energy: -318.904
where: short stacking energy: -117.274
Base-Backbone interact. energy: -0.428
local terms energy: -139.137901
where:
bonds (distance) C4'-P energy: -35.467
bonds (distance) P-C4' energy: -30.514
flat angles C4'-P-C4' energy: -32.647
flat angles P-C4'-P energy: -18.671
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: 7, replica: 6
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -428.164035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.164035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.164035 (E_RNA)
where:
Base-Base interactions energy: -279.775
where: short stacking energy: -119.509
Base-Backbone interact. energy: -1.531
local terms energy: -146.858055
where:
bonds (distance) C4'-P energy: -27.650
bonds (distance) P-C4' energy: -38.668
flat angles C4'-P-C4' energy: -30.855
flat angles P-C4'-P energy: -21.486
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: 8, replica: 7
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -353.116531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.116531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.116531 (E_RNA)
where:
Base-Base interactions energy: -216.245
where: short stacking energy: -107.718
Base-Backbone interact. energy: -0.526
local terms energy: -136.346157
where:
bonds (distance) C4'-P energy: -25.422
bonds (distance) P-C4' energy: -34.451
flat angles C4'-P-C4' energy: -32.727
flat angles P-C4'-P energy: -21.008
tors. eta vs tors. theta energy: -22.738
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: 180
Temperature: 1.300000
Total energy: -196.945309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.945309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.945309 (E_RNA)
where:
Base-Base interactions energy: -90.605
where: short stacking energy: -59.379
Base-Backbone interact. energy: -0.881
local terms energy: -105.459099
where:
bonds (distance) C4'-P energy: -36.952
bonds (distance) P-C4' energy: -32.892
flat angles C4'-P-C4' energy: -8.638
flat angles P-C4'-P energy: -25.480
tors. eta vs tors. theta energy: -1.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -229.991430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.991430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.991430 (E_RNA)
where:
Base-Base interactions energy: -121.923
where: short stacking energy: -71.440
Base-Backbone interact. energy: -0.333
local terms energy: -107.735981
where:
bonds (distance) C4'-P energy: -27.971
bonds (distance) P-C4' energy: -27.965
flat angles C4'-P-C4' energy: -29.223
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -9.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -608.140143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.140143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.140143 (E_RNA)
where:
Base-Base interactions energy: -436.302
where: short stacking energy: -165.020
Base-Backbone interact. energy: 0.768
local terms energy: -172.605226
where:
bonds (distance) C4'-P energy: -35.970
bonds (distance) P-C4' energy: -36.286
flat angles C4'-P-C4' energy: -34.522
flat angles P-C4'-P energy: -19.758
tors. eta vs tors. theta energy: -46.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -603.842963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.842963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.842963 (E_RNA)
where:
Base-Base interactions energy: -437.927
where: short stacking energy: -173.649
Base-Backbone interact. energy: 1.548
local terms energy: -167.464106
where:
bonds (distance) C4'-P energy: -27.092
bonds (distance) P-C4' energy: -33.975
flat angles C4'-P-C4' energy: -29.847
flat angles P-C4'-P energy: -30.172
tors. eta vs tors. theta energy: -46.378
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: 9
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -567.420305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.420305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.420305 (E_RNA)
where:
Base-Base interactions energy: -395.713
where: short stacking energy: -165.540
Base-Backbone interact. energy: -0.478
local terms energy: -171.228660
where:
bonds (distance) C4'-P energy: -29.488
bonds (distance) P-C4' energy: -34.497
flat angles C4'-P-C4' energy: -36.604
flat angles P-C4'-P energy: -19.640
tors. eta vs tors. theta energy: -51.000
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: 8
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -541.452255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.452255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.452255 (E_RNA)
where:
Base-Base interactions energy: -366.413
where: short stacking energy: -161.451
Base-Backbone interact. energy: -0.902
local terms energy: -174.137248
where:
bonds (distance) C4'-P energy: -28.588
bonds (distance) P-C4' energy: -40.010
flat angles C4'-P-C4' energy: -37.740
flat angles P-C4'-P energy: -20.525
tors. eta vs tors. theta energy: -47.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -520.454313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.454313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.454313 (E_RNA)
where:
Base-Base interactions energy: -363.285
where: short stacking energy: -150.433
Base-Backbone interact. energy: -0.414
local terms energy: -156.756111
where:
bonds (distance) C4'-P energy: -33.610
bonds (distance) P-C4' energy: -29.542
flat angles C4'-P-C4' energy: -31.012
flat angles P-C4'-P energy: -21.823
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: 6, replica: 4
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -483.869899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.869899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.869899 (E_RNA)
where:
Base-Base interactions energy: -327.990
where: short stacking energy: -134.527
Base-Backbone interact. energy: -1.103
local terms energy: -154.776968
where:
bonds (distance) C4'-P energy: -32.675
bonds (distance) P-C4' energy: -36.733
flat angles C4'-P-C4' energy: -31.046
flat angles P-C4'-P energy: -21.069
tors. eta vs tors. theta energy: -33.255
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: 7, replica: 6
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -421.969099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.969099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.969099 (E_RNA)
where:
Base-Base interactions energy: -289.634
where: short stacking energy: -108.337
Base-Backbone interact. energy: -1.202
local terms energy: -131.132547
where:
bonds (distance) C4'-P energy: -30.983
bonds (distance) P-C4' energy: -28.779
flat angles C4'-P-C4' energy: -29.736
flat angles P-C4'-P energy: -19.502
tors. eta vs tors. theta energy: -22.132
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: 8, replica: 7
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -338.185149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.185149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.185149 (E_RNA)
where:
Base-Base interactions energy: -202.447
where: short stacking energy: -104.760
Base-Backbone interact. energy: -0.252
local terms energy: -135.486345
where:
bonds (distance) C4'-P energy: -28.836
bonds (distance) P-C4' energy: -31.303
flat angles C4'-P-C4' energy: -32.986
flat angles P-C4'-P energy: -16.045
tors. eta vs tors. theta energy: -26.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -178.943318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.943318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.943318 (E_RNA)
where:
Base-Base interactions energy: -71.670
where: short stacking energy: -54.037
Base-Backbone interact. energy: 0.189
local terms energy: -107.462167
where:
bonds (distance) C4'-P energy: -28.508
bonds (distance) P-C4' energy: -31.943
flat angles C4'-P-C4' energy: -33.606
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: 0.089
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: 10, replica: 10
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -234.976662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.976662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.976662 (E_RNA)
where:
Base-Base interactions energy: -119.475
where: short stacking energy: -64.635
Base-Backbone interact. energy: -0.162
local terms energy: -115.339382
where:
bonds (distance) C4'-P energy: -28.853
bonds (distance) P-C4' energy: -32.859
flat angles C4'-P-C4' energy: -28.036
flat angles P-C4'-P energy: -18.335
tors. eta vs tors. theta energy: -7.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -610.328882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.328882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.328882 (E_RNA)
where:
Base-Base interactions energy: -433.620
where: short stacking energy: -173.181
Base-Backbone interact. energy: -1.035
local terms energy: -175.673500
where:
bonds (distance) C4'-P energy: -38.067
bonds (distance) P-C4' energy: -29.541
flat angles C4'-P-C4' energy: -37.406
flat angles P-C4'-P energy: -25.117
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: 2, replica: 2
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -593.411381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.411381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.411381 (E_RNA)
where:
Base-Base interactions energy: -421.633
where: short stacking energy: -167.141
Base-Backbone interact. energy: -1.025
local terms energy: -170.754316
where:
bonds (distance) C4'-P energy: -30.341
bonds (distance) P-C4' energy: -33.109
flat angles C4'-P-C4' energy: -36.871
flat angles P-C4'-P energy: -25.817
tors. eta vs tors. theta energy: -44.616
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: 9
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -570.177123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.177123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.177123 (E_RNA)
where:
Base-Base interactions energy: -390.942
where: short stacking energy: -173.892
Base-Backbone interact. energy: -0.088
local terms energy: -179.146621
where:
bonds (distance) C4'-P energy: -36.514
bonds (distance) P-C4' energy: -28.917
flat angles C4'-P-C4' energy: -40.231
flat angles P-C4'-P energy: -24.410
tors. eta vs tors. theta energy: -49.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -528.411192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.411192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.411192 (E_RNA)
where:
Base-Base interactions energy: -366.211
where: short stacking energy: -156.938
Base-Backbone interact. energy: -0.252
local terms energy: -161.947954
where:
bonds (distance) C4'-P energy: -27.419
bonds (distance) P-C4' energy: -34.660
flat angles C4'-P-C4' energy: -29.975
flat angles P-C4'-P energy: -26.295
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: 5, replica: 5
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -531.489325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.489325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.489325 (E_RNA)
where:
Base-Base interactions energy: -361.667
where: short stacking energy: -151.802
Base-Backbone interact. energy: -0.616
local terms energy: -169.206139
where:
bonds (distance) C4'-P energy: -37.707
bonds (distance) P-C4' energy: -34.734
flat angles C4'-P-C4' energy: -29.898
flat angles P-C4'-P energy: -22.045
tors. eta vs tors. theta energy: -44.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -477.017473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.017473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.017473 (E_RNA)
where:
Base-Base interactions energy: -336.192
where: short stacking energy: -136.405
Base-Backbone interact. energy: 0.218
local terms energy: -141.043690
where:
bonds (distance) C4'-P energy: -32.546
bonds (distance) P-C4' energy: -25.214
flat angles C4'-P-C4' energy: -29.210
flat angles P-C4'-P energy: -19.912
tors. eta vs tors. theta energy: -34.162
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: 7
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -382.323644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.323644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.323644 (E_RNA)
where:
Base-Base interactions energy: -238.217
where: short stacking energy: -117.132
Base-Backbone interact. energy: -0.183
local terms energy: -143.924325
where:
bonds (distance) C4'-P energy: -33.427
bonds (distance) P-C4' energy: -29.991
flat angles C4'-P-C4' energy: -29.761
flat angles P-C4'-P energy: -28.270
tors. eta vs tors. theta energy: -22.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -414.633065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.633065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.633065 (E_RNA)
where:
Base-Base interactions energy: -271.435
where: short stacking energy: -131.487
Base-Backbone interact. energy: -2.493
local terms energy: -140.705244
where:
bonds (distance) C4'-P energy: -38.984
bonds (distance) P-C4' energy: -34.857
flat angles C4'-P-C4' energy: -25.419
flat angles P-C4'-P energy: -13.286
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: 9, replica: 10
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -235.994385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.994385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.994385 (E_RNA)
where:
Base-Base interactions energy: -129.961
where: short stacking energy: -83.377
Base-Backbone interact. energy: -0.640
local terms energy: -105.393266
where:
bonds (distance) C4'-P energy: -25.797
bonds (distance) P-C4' energy: -30.617
flat angles C4'-P-C4' energy: -27.781
flat angles P-C4'-P energy: -16.213
tors. eta vs tors. theta energy: -4.985
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: 10, replica: 3
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -163.186137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.186137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.186137 (E_RNA)
where:
Base-Base interactions energy: -73.240
where: short stacking energy: -67.561
Base-Backbone interact. energy: 0.388
local terms energy: -90.334282
where:
bonds (distance) C4'-P energy: -29.119
bonds (distance) P-C4' energy: -28.090
flat angles C4'-P-C4' energy: -29.338
flat angles P-C4'-P energy: -0.770
tors. eta vs tors. theta energy: -3.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -619.244942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.244942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.244942 (E_RNA)
where:
Base-Base interactions energy: -447.789
where: short stacking energy: -176.190
Base-Backbone interact. energy: -0.222
local terms energy: -171.233477
where:
bonds (distance) C4'-P energy: -30.032
bonds (distance) P-C4' energy: -35.070
flat angles C4'-P-C4' energy: -39.899
flat angles P-C4'-P energy: -21.401
tors. eta vs tors. theta energy: -44.832
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: 2
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -598.706350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.706350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.706350 (E_RNA)
where:
Base-Base interactions energy: -444.007
where: short stacking energy: -171.162
Base-Backbone interact. energy: -1.369
local terms energy: -153.330185
where:
bonds (distance) C4'-P energy: -24.085
bonds (distance) P-C4' energy: -23.742
flat angles C4'-P-C4' energy: -37.319
flat angles P-C4'-P energy: -24.738
tors. eta vs tors. theta energy: -43.446
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: 9
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -570.106785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.106785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.106785 (E_RNA)
where:
Base-Base interactions energy: -404.576
where: short stacking energy: -172.427
Base-Backbone interact. energy: -0.309
local terms energy: -165.221458
where:
bonds (distance) C4'-P energy: -23.038
bonds (distance) P-C4' energy: -33.279
flat angles C4'-P-C4' energy: -38.135
flat angles P-C4'-P energy: -23.139
tors. eta vs tors. theta energy: -47.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -540.028789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.028789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.028789 (E_RNA)
where:
Base-Base interactions energy: -386.772
where: short stacking energy: -152.451
Base-Backbone interact. energy: -0.063
local terms energy: -153.193690
where:
bonds (distance) C4'-P energy: -25.050
bonds (distance) P-C4' energy: -31.020
flat angles C4'-P-C4' energy: -32.128
flat angles P-C4'-P energy: -24.956
tors. eta vs tors. theta energy: -40.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -528.850552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.850552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.850552 (E_RNA)
where:
Base-Base interactions energy: -369.949
where: short stacking energy: -154.727
Base-Backbone interact. energy: -0.665
local terms energy: -158.236506
where:
bonds (distance) C4'-P energy: -32.686
bonds (distance) P-C4' energy: -34.193
flat angles C4'-P-C4' energy: -34.969
flat angles P-C4'-P energy: -19.366
tors. eta vs tors. theta energy: -37.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -476.107398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.107398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.107398 (E_RNA)
where:
Base-Base interactions energy: -331.769
where: short stacking energy: -132.958
Base-Backbone interact. energy: 3.088
local terms energy: -147.426597
where:
bonds (distance) C4'-P energy: -28.850
bonds (distance) P-C4' energy: -36.364
flat angles C4'-P-C4' energy: -33.846
flat angles P-C4'-P energy: -20.443
tors. eta vs tors. theta energy: -27.924
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: 7
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -366.624755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.624755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.624755 (E_RNA)
where:
Base-Base interactions energy: -216.998
where: short stacking energy: -119.753
Base-Backbone interact. energy: -0.123
local terms energy: -149.503462
where:
bonds (distance) C4'-P energy: -31.591
bonds (distance) P-C4' energy: -35.728
flat angles C4'-P-C4' energy: -34.520
flat angles P-C4'-P energy: -16.423
tors. eta vs tors. theta energy: -31.242
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: 6
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -416.102717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.102717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.102717 (E_RNA)
where:
Base-Base interactions energy: -278.679
where: short stacking energy: -117.519
Base-Backbone interact. energy: -0.484
local terms energy: -136.939409
where:
bonds (distance) C4'-P energy: -28.132
bonds (distance) P-C4' energy: -27.183
flat angles C4'-P-C4' energy: -32.474
flat angles P-C4'-P energy: -22.986
tors. eta vs tors. theta energy: -26.165
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: 10
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -261.882620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.882620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.882620 (E_RNA)
where:
Base-Base interactions energy: -140.201
where: short stacking energy: -83.660
Base-Backbone interact. energy: -0.411
local terms energy: -121.270423
where:
bonds (distance) C4'-P energy: -30.250
bonds (distance) P-C4' energy: -28.236
flat angles C4'-P-C4' energy: -32.355
flat angles P-C4'-P energy: -19.349
tors. eta vs tors. theta energy: -11.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -160.655271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.655271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.655271 (E_RNA)
where:
Base-Base interactions energy: -63.074
where: short stacking energy: -52.599
Base-Backbone interact. energy: -0.353
local terms energy: -97.228407
where:
bonds (distance) C4'-P energy: -32.501
bonds (distance) P-C4' energy: -27.820
flat angles C4'-P-C4' energy: -19.160
flat angles P-C4'-P energy: -17.178
tors. eta vs tors. theta energy: -0.569
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: 184
Temperature: 0.900000
Total energy: -608.167252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.167252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.167252 (E_RNA)
where:
Base-Base interactions energy: -433.939
where: short stacking energy: -160.063
Base-Backbone interact. energy: -1.509
local terms energy: -172.718895
where:
bonds (distance) C4'-P energy: -34.182
bonds (distance) P-C4' energy: -36.036
flat angles C4'-P-C4' energy: -37.901
flat angles P-C4'-P energy: -22.262
tors. eta vs tors. theta energy: -42.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -596.460805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.460805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.460805 (E_RNA)
where:
Base-Base interactions energy: -428.242
where: short stacking energy: -165.718
Base-Backbone interact. energy: -0.734
local terms energy: -167.485154
where:
bonds (distance) C4'-P energy: -31.099
bonds (distance) P-C4' energy: -32.965
flat angles C4'-P-C4' energy: -34.494
flat angles P-C4'-P energy: -21.664
tors. eta vs tors. theta energy: -47.263
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: 9
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -570.762708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.762708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.762708 (E_RNA)
where:
Base-Base interactions energy: -389.808
where: short stacking energy: -184.600
Base-Backbone interact. energy: -1.087
local terms energy: -179.867324
where:
bonds (distance) C4'-P energy: -32.538
bonds (distance) P-C4' energy: -30.106
flat angles C4'-P-C4' energy: -39.248
flat angles P-C4'-P energy: -28.089
tors. eta vs tors. theta energy: -49.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -528.225714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.225714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.225714 (E_RNA)
where:
Base-Base interactions energy: -354.114
where: short stacking energy: -159.956
Base-Backbone interact. energy: -0.067
local terms energy: -174.044961
where:
bonds (distance) C4'-P energy: -31.938
bonds (distance) P-C4' energy: -30.441
flat angles C4'-P-C4' energy: -37.650
flat angles P-C4'-P energy: -27.076
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: 5, replica: 8
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -508.828482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.828482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.828482 (E_RNA)
where:
Base-Base interactions energy: -344.408
where: short stacking energy: -145.939
Base-Backbone interact. energy: -0.424
local terms energy: -163.997125
where:
bonds (distance) C4'-P energy: -28.734
bonds (distance) P-C4' energy: -36.312
flat angles C4'-P-C4' energy: -34.909
flat angles P-C4'-P energy: -23.730
tors. eta vs tors. theta energy: -40.312
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: 6, replica: 4
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -473.325151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.325151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.325151 (E_RNA)
where:
Base-Base interactions energy: -322.737
where: short stacking energy: -133.499
Base-Backbone interact. energy: -0.376
local terms energy: -150.211322
where:
bonds (distance) C4'-P energy: -25.659
bonds (distance) P-C4' energy: -34.739
flat angles C4'-P-C4' energy: -36.724
flat angles P-C4'-P energy: -23.160
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: 7, replica: 6
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -402.860852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.860852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.860852 (E_RNA)
where:
Base-Base interactions energy: -272.940
where: short stacking energy: -120.783
Base-Backbone interact. energy: -1.452
local terms energy: -128.468259
where:
bonds (distance) C4'-P energy: -19.782
bonds (distance) P-C4' energy: -34.736
flat angles C4'-P-C4' energy: -34.574
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -27.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -369.407887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.407887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.407887 (E_RNA)
where:
Base-Base interactions energy: -224.557
where: short stacking energy: -118.437
Base-Backbone interact. energy: -0.085
local terms energy: -144.766316
where:
bonds (distance) C4'-P energy: -26.901
bonds (distance) P-C4' energy: -34.365
flat angles C4'-P-C4' energy: -29.637
flat angles P-C4'-P energy: -25.633
tors. eta vs tors. theta energy: -28.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -245.268006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.268006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.268006 (E_RNA)
where:
Base-Base interactions energy: -134.946
where: short stacking energy: -81.011
Base-Backbone interact. energy: -0.452
local terms energy: -109.869966
where:
bonds (distance) C4'-P energy: -24.414
bonds (distance) P-C4' energy: -28.926
flat angles C4'-P-C4' energy: -31.796
flat angles P-C4'-P energy: -18.787
tors. eta vs tors. theta energy: -5.947
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: 184
Temperature: 1.350000
Total energy: -158.571827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.571827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.571827 (E_RNA)
where:
Base-Base interactions energy: -57.046
where: short stacking energy: -42.558
Base-Backbone interact. energy: -0.259
local terms energy: -101.266515
where:
bonds (distance) C4'-P energy: -38.136
bonds (distance) P-C4' energy: -35.585
flat angles C4'-P-C4' energy: -18.128
flat angles P-C4'-P energy: -15.359
tors. eta vs tors. theta energy: 5.942
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: 2
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -609.580671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.580671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.580671 (E_RNA)
where:
Base-Base interactions energy: -426.017
where: short stacking energy: -172.741
Base-Backbone interact. energy: -1.740
local terms energy: -181.823261
where:
bonds (distance) C4'-P energy: -32.245
bonds (distance) P-C4' energy: -37.514
flat angles C4'-P-C4' energy: -34.467
flat angles P-C4'-P energy: -28.390
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: 2, replica: 1
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -585.149472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.149472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.149472 (E_RNA)
where:
Base-Base interactions energy: -408.158
where: short stacking energy: -165.989
Base-Backbone interact. energy: -0.506
local terms energy: -176.485629
where:
bonds (distance) C4'-P energy: -31.843
bonds (distance) P-C4' energy: -38.177
flat angles C4'-P-C4' energy: -33.977
flat angles P-C4'-P energy: -20.574
tors. eta vs tors. theta energy: -51.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -563.242939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.242939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.242939 (E_RNA)
where:
Base-Base interactions energy: -400.519
where: short stacking energy: -176.258
Base-Backbone interact. energy: -1.062
local terms energy: -161.661902
where:
bonds (distance) C4'-P energy: -27.651
bonds (distance) P-C4' energy: -30.353
flat angles C4'-P-C4' energy: -36.261
flat angles P-C4'-P energy: -15.828
tors. eta vs tors. theta energy: -51.568
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: 5
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -521.352844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.352844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.352844 (E_RNA)
where:
Base-Base interactions energy: -354.724
where: short stacking energy: -152.582
Base-Backbone interact. energy: -0.576
local terms energy: -166.052568
where:
bonds (distance) C4'-P energy: -28.631
bonds (distance) P-C4' energy: -37.658
flat angles C4'-P-C4' energy: -33.100
flat angles P-C4'-P energy: -21.314
tors. eta vs tors. theta energy: -45.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -538.722901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.722901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.722901 (E_RNA)
where:
Base-Base interactions energy: -384.139
where: short stacking energy: -160.948
Base-Backbone interact. energy: 0.186
local terms energy: -154.770151
where:
bonds (distance) C4'-P energy: -29.492
bonds (distance) P-C4' energy: -30.443
flat angles C4'-P-C4' energy: -35.718
flat angles P-C4'-P energy: -21.031
tors. eta vs tors. theta energy: -38.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -425.162021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.162021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.162021 (E_RNA)
where:
Base-Base interactions energy: -279.744
where: short stacking energy: -127.795
Base-Backbone interact. energy: -1.046
local terms energy: -144.372599
where:
bonds (distance) C4'-P energy: -29.750
bonds (distance) P-C4' energy: -34.581
flat angles C4'-P-C4' energy: -30.820
flat angles P-C4'-P energy: -18.659
tors. eta vs tors. theta energy: -30.562
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: 7, replica: 4
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -483.136412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.136412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.136412 (E_RNA)
where:
Base-Base interactions energy: -330.391
where: short stacking energy: -145.337
Base-Backbone interact. energy: -0.284
local terms energy: -152.460910
where:
bonds (distance) C4'-P energy: -28.424
bonds (distance) P-C4' energy: -32.520
flat angles C4'-P-C4' energy: -36.377
flat angles P-C4'-P energy: -14.408
tors. eta vs tors. theta energy: -40.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -355.226557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.226557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.226557 (E_RNA)
where:
Base-Base interactions energy: -228.109
where: short stacking energy: -125.402
Base-Backbone interact. energy: -0.274
local terms energy: -126.843609
where:
bonds (distance) C4'-P energy: -32.380
bonds (distance) P-C4' energy: -21.685
flat angles C4'-P-C4' energy: -27.115
flat angles P-C4'-P energy: -16.947
tors. eta vs tors. theta energy: -28.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -237.055034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.055034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.055034 (E_RNA)
where:
Base-Base interactions energy: -127.105
where: short stacking energy: -74.451
Base-Backbone interact. energy: 0.038
local terms energy: -109.987631
where:
bonds (distance) C4'-P energy: -28.346
bonds (distance) P-C4' energy: -33.319
flat angles C4'-P-C4' energy: -20.984
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -15.884
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: 10, replica: 3
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -205.353846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.353846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.353846 (E_RNA)
where:
Base-Base interactions energy: -110.253
where: short stacking energy: -60.640
Base-Backbone interact. energy: -0.526
local terms energy: -94.574762
where:
bonds (distance) C4'-P energy: -27.525
bonds (distance) P-C4' energy: -28.209
flat angles C4'-P-C4' energy: -25.397
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -3.731
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: 1, replica: 2
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -609.993252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.993252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.993252 (E_RNA)
where:
Base-Base interactions energy: -430.250
where: short stacking energy: -172.152
Base-Backbone interact. energy: -1.393
local terms energy: -178.349613
where:
bonds (distance) C4'-P energy: -34.725
bonds (distance) P-C4' energy: -35.933
flat angles C4'-P-C4' energy: -32.135
flat angles P-C4'-P energy: -27.832
tors. eta vs tors. theta energy: -47.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -596.216298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.216298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.216298 (E_RNA)
where:
Base-Base interactions energy: -418.715
where: short stacking energy: -163.543
Base-Backbone interact. energy: -2.312
local terms energy: -175.189660
where:
bonds (distance) C4'-P energy: -35.075
bonds (distance) P-C4' energy: -34.700
flat angles C4'-P-C4' energy: -31.826
flat angles P-C4'-P energy: -28.123
tors. eta vs tors. theta energy: -45.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -569.456462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.456462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.456462 (E_RNA)
where:
Base-Base interactions energy: -381.731
where: short stacking energy: -178.701
Base-Backbone interact. energy: 0.206
local terms energy: -187.931695
where:
bonds (distance) C4'-P energy: -34.747
bonds (distance) P-C4' energy: -37.555
flat angles C4'-P-C4' energy: -43.204
flat angles P-C4'-P energy: -22.471
tors. eta vs tors. theta energy: -49.954
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: 5
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -511.986381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.986381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.986381 (E_RNA)
where:
Base-Base interactions energy: -361.974
where: short stacking energy: -144.796
Base-Backbone interact. energy: -0.173
local terms energy: -149.839968
where:
bonds (distance) C4'-P energy: -25.229
bonds (distance) P-C4' energy: -40.099
flat angles C4'-P-C4' energy: -32.046
flat angles P-C4'-P energy: -19.594
tors. eta vs tors. theta energy: -32.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -520.637747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.637747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.637747 (E_RNA)
where:
Base-Base interactions energy: -349.096
where: short stacking energy: -166.480
Base-Backbone interact. energy: -0.365
local terms energy: -171.177429
where:
bonds (distance) C4'-P energy: -32.217
bonds (distance) P-C4' energy: -33.852
flat angles C4'-P-C4' energy: -38.130
flat angles P-C4'-P energy: -25.640
tors. eta vs tors. theta energy: -41.339
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: 186
Temperature: 1.150000
Total energy: -393.376783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.376783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.376783 (E_RNA)
where:
Base-Base interactions energy: -260.959
where: short stacking energy: -103.152
Base-Backbone interact. energy: -1.191
local terms energy: -131.227013
where:
bonds (distance) C4'-P energy: -29.818
bonds (distance) P-C4' energy: -27.190
flat angles C4'-P-C4' energy: -37.076
flat angles P-C4'-P energy: -17.546
tors. eta vs tors. theta energy: -19.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -486.795948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.795948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.795948 (E_RNA)
where:
Base-Base interactions energy: -336.869
where: short stacking energy: -142.237
Base-Backbone interact. energy: -0.581
local terms energy: -149.346198
where:
bonds (distance) C4'-P energy: -24.399
bonds (distance) P-C4' energy: -31.219
flat angles C4'-P-C4' energy: -36.080
flat angles P-C4'-P energy: -22.463
tors. eta vs tors. theta energy: -35.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -354.163192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.163192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.163192 (E_RNA)
where:
Base-Base interactions energy: -218.150
where: short stacking energy: -115.131
Base-Backbone interact. energy: -0.308
local terms energy: -135.705573
where:
bonds (distance) C4'-P energy: -21.741
bonds (distance) P-C4' energy: -33.514
flat angles C4'-P-C4' energy: -34.079
flat angles P-C4'-P energy: -20.104
tors. eta vs tors. theta energy: -26.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -241.005429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.005429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.005429 (E_RNA)
where:
Base-Base interactions energy: -119.980
where: short stacking energy: -75.437
Base-Backbone interact. energy: 0.888
local terms energy: -121.912440
where:
bonds (distance) C4'-P energy: -30.527
bonds (distance) P-C4' energy: -26.013
flat angles C4'-P-C4' energy: -33.551
flat angles P-C4'-P energy: -19.220
tors. eta vs tors. theta energy: -12.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -154.426860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.426860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.426860 (E_RNA)
where:
Base-Base interactions energy: -49.367
where: short stacking energy: -46.706
Base-Backbone interact. energy: -1.091
local terms energy: -103.968028
where:
bonds (distance) C4'-P energy: -29.008
bonds (distance) P-C4' energy: -23.308
flat angles C4'-P-C4' energy: -26.181
flat angles P-C4'-P energy: -21.009
tors. eta vs tors. theta energy: -4.463
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: 187
Temperature: 0.900000
Total energy: -604.566398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.566398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.566398 (E_RNA)
where:
Base-Base interactions energy: -423.179
where: short stacking energy: -174.494
Base-Backbone interact. energy: 1.529
local terms energy: -182.916243
where:
bonds (distance) C4'-P energy: -30.077
bonds (distance) P-C4' energy: -35.586
flat angles C4'-P-C4' energy: -35.714
flat angles P-C4'-P energy: -30.970
tors. eta vs tors. theta energy: -50.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -582.149719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.149719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.149719 (E_RNA)
where:
Base-Base interactions energy: -406.896
where: short stacking energy: -160.896
Base-Backbone interact. energy: 0.426
local terms energy: -175.679323
where:
bonds (distance) C4'-P energy: -31.815
bonds (distance) P-C4' energy: -31.998
flat angles C4'-P-C4' energy: -38.105
flat angles P-C4'-P energy: -28.167
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: 3, replica: 9
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -576.007772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.007772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.007772 (E_RNA)
where:
Base-Base interactions energy: -388.714
where: short stacking energy: -189.615
Base-Backbone interact. energy: -0.469
local terms energy: -186.824778
where:
bonds (distance) C4'-P energy: -34.613
bonds (distance) P-C4' energy: -35.523
flat angles C4'-P-C4' energy: -40.410
flat angles P-C4'-P energy: -23.585
tors. eta vs tors. theta energy: -52.693
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: 8
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -522.090937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.090937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.090937 (E_RNA)
where:
Base-Base interactions energy: -371.609
where: short stacking energy: -159.507
Base-Backbone interact. energy: 0.368
local terms energy: -150.850014
where:
bonds (distance) C4'-P energy: -25.215
bonds (distance) P-C4' energy: -33.288
flat angles C4'-P-C4' energy: -25.638
flat angles P-C4'-P energy: -27.373
tors. eta vs tors. theta energy: -39.335
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: 5
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -491.313722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.313722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.313722 (E_RNA)
where:
Base-Base interactions energy: -338.649
where: short stacking energy: -150.076
Base-Backbone interact. energy: -0.785
local terms energy: -151.880188
where:
bonds (distance) C4'-P energy: -32.437
bonds (distance) P-C4' energy: -23.938
flat angles C4'-P-C4' energy: -37.316
flat angles P-C4'-P energy: -24.174
tors. eta vs tors. theta energy: -34.014
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: 6, replica: 4
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -507.168934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.168934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.168934 (E_RNA)
where:
Base-Base interactions energy: -343.498
where: short stacking energy: -140.184
Base-Backbone interact. energy: -0.340
local terms energy: -163.331186
where:
bonds (distance) C4'-P energy: -30.601
bonds (distance) P-C4' energy: -33.770
flat angles C4'-P-C4' energy: -35.519
flat angles P-C4'-P energy: -22.850
tors. eta vs tors. theta energy: -40.591
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: 6
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -411.703339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.703339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.703339 (E_RNA)
where:
Base-Base interactions energy: -270.836
where: short stacking energy: -105.552
Base-Backbone interact. energy: 0.307
local terms energy: -141.174124
where:
bonds (distance) C4'-P energy: -30.740
bonds (distance) P-C4' energy: -23.921
flat angles C4'-P-C4' energy: -35.615
flat angles P-C4'-P energy: -21.717
tors. eta vs tors. theta energy: -29.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -351.868935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.868935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.868935 (E_RNA)
where:
Base-Base interactions energy: -218.903
where: short stacking energy: -94.655
Base-Backbone interact. energy: -0.212
local terms energy: -132.753704
where:
bonds (distance) C4'-P energy: -26.098
bonds (distance) P-C4' energy: -27.440
flat angles C4'-P-C4' energy: -37.833
flat angles P-C4'-P energy: -18.879
tors. eta vs tors. theta energy: -22.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -256.951719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.951719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.951719 (E_RNA)
where:
Base-Base interactions energy: -153.737
where: short stacking energy: -64.797
Base-Backbone interact. energy: -0.822
local terms energy: -102.392177
where:
bonds (distance) C4'-P energy: -30.863
bonds (distance) P-C4' energy: -28.619
flat angles C4'-P-C4' energy: -25.022
flat angles P-C4'-P energy: -15.803
tors. eta vs tors. theta energy: -2.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -186.081525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.081525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.081525 (E_RNA)
where:
Base-Base interactions energy: -78.595
where: short stacking energy: -47.432
Base-Backbone interact. energy: 0.559
local terms energy: -108.046291
where:
bonds (distance) C4'-P energy: -34.908
bonds (distance) P-C4' energy: -29.662
flat angles C4'-P-C4' energy: -35.598
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: 0.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -594.267418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.267418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.267418 (E_RNA)
where:
Base-Base interactions energy: -406.419
where: short stacking energy: -155.424
Base-Backbone interact. energy: -2.122
local terms energy: -185.726081
where:
bonds (distance) C4'-P energy: -36.559
bonds (distance) P-C4' energy: -33.638
flat angles C4'-P-C4' energy: -38.703
flat angles P-C4'-P energy: -31.235
tors. eta vs tors. theta energy: -45.591
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: 2, replica: 1
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -577.877402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.877402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.877402 (E_RNA)
where:
Base-Base interactions energy: -406.650
where: short stacking energy: -164.303
Base-Backbone interact. energy: -1.980
local terms energy: -169.247523
where:
bonds (distance) C4'-P energy: -31.669
bonds (distance) P-C4' energy: -31.431
flat angles C4'-P-C4' energy: -34.800
flat angles P-C4'-P energy: -26.117
tors. eta vs tors. theta energy: -45.231
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: 8
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -557.051845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.051845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.051845 (E_RNA)
where:
Base-Base interactions energy: -395.426
where: short stacking energy: -164.241
Base-Backbone interact. energy: -1.106
local terms energy: -160.520139
where:
bonds (distance) C4'-P energy: -36.688
bonds (distance) P-C4' energy: -31.354
flat angles C4'-P-C4' energy: -33.102
flat angles P-C4'-P energy: -15.010
tors. eta vs tors. theta energy: -44.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -581.093554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.093554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.093554 (E_RNA)
where:
Base-Base interactions energy: -396.596
where: short stacking energy: -183.648
Base-Backbone interact. energy: -0.086
local terms energy: -184.411144
where:
bonds (distance) C4'-P energy: -32.225
bonds (distance) P-C4' energy: -34.908
flat angles C4'-P-C4' energy: -37.168
flat angles P-C4'-P energy: -22.674
tors. eta vs tors. theta energy: -57.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -521.787934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.787934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.787934 (E_RNA)
where:
Base-Base interactions energy: -357.706
where: short stacking energy: -152.765
Base-Backbone interact. energy: -0.308
local terms energy: -163.774634
where:
bonds (distance) C4'-P energy: -32.041
bonds (distance) P-C4' energy: -30.740
flat angles C4'-P-C4' energy: -35.128
flat angles P-C4'-P energy: -20.864
tors. eta vs tors. theta energy: -45.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -482.283322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.283322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.283322 (E_RNA)
where:
Base-Base interactions energy: -337.244
where: short stacking energy: -143.598
Base-Backbone interact. energy: -0.697
local terms energy: -144.342638
where:
bonds (distance) C4'-P energy: -28.209
bonds (distance) P-C4' energy: -31.079
flat angles C4'-P-C4' energy: -24.792
flat angles P-C4'-P energy: -24.315
tors. eta vs tors. theta energy: -35.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -423.313283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.313283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.313283 (E_RNA)
where:
Base-Base interactions energy: -280.667
where: short stacking energy: -117.576
Base-Backbone interact. energy: 1.415
local terms energy: -144.060721
where:
bonds (distance) C4'-P energy: -32.719
bonds (distance) P-C4' energy: -31.844
flat angles C4'-P-C4' energy: -36.662
flat angles P-C4'-P energy: -15.920
tors. eta vs tors. theta energy: -26.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -355.227364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.227364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.227364 (E_RNA)
where:
Base-Base interactions energy: -223.526
where: short stacking energy: -113.598
Base-Backbone interact. energy: -0.173
local terms energy: -131.528466
where:
bonds (distance) C4'-P energy: -20.510
bonds (distance) P-C4' energy: -25.891
flat angles C4'-P-C4' energy: -36.240
flat angles P-C4'-P energy: -19.212
tors. eta vs tors. theta energy: -29.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -231.004088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.004088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.004088 (E_RNA)
where:
Base-Base interactions energy: -130.074
where: short stacking energy: -79.227
Base-Backbone interact. energy: 1.250
local terms energy: -102.179882
where:
bonds (distance) C4'-P energy: -33.067
bonds (distance) P-C4' energy: -27.728
flat angles C4'-P-C4' energy: -23.056
flat angles P-C4'-P energy: -17.273
tors. eta vs tors. theta energy: -1.055
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: 10, replica: 3
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -168.054453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.054453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.054453 (E_RNA)
where:
Base-Base interactions energy: -67.063
where: short stacking energy: -43.601
Base-Backbone interact. energy: -1.237
local terms energy: -99.754801
where:
bonds (distance) C4'-P energy: -29.367
bonds (distance) P-C4' energy: -34.744
flat angles C4'-P-C4' energy: -24.895
flat angles P-C4'-P energy: -13.514
tors. eta vs tors. theta energy: 2.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -599.280707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.280707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.280707 (E_RNA)
where:
Base-Base interactions energy: -414.726
where: short stacking energy: -170.318
Base-Backbone interact. energy: -1.839
local terms energy: -182.715386
where:
bonds (distance) C4'-P energy: -36.472
bonds (distance) P-C4' energy: -38.359
flat angles C4'-P-C4' energy: -38.339
flat angles P-C4'-P energy: -21.934
tors. eta vs tors. theta energy: -47.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -586.830633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.830633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.830633 (E_RNA)
where:
Base-Base interactions energy: -411.470
where: short stacking energy: -168.082
Base-Backbone interact. energy: -0.627
local terms energy: -174.733567
where:
bonds (distance) C4'-P energy: -37.614
bonds (distance) P-C4' energy: -35.331
flat angles C4'-P-C4' energy: -36.998
flat angles P-C4'-P energy: -27.570
tors. eta vs tors. theta energy: -37.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -540.379057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.379057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.379057 (E_RNA)
where:
Base-Base interactions energy: -385.754
where: short stacking energy: -157.573
Base-Backbone interact. energy: -1.414
local terms energy: -153.210163
where:
bonds (distance) C4'-P energy: -30.954
bonds (distance) P-C4' energy: -27.164
flat angles C4'-P-C4' energy: -37.204
flat angles P-C4'-P energy: -15.068
tors. eta vs tors. theta energy: -42.821
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: 9
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -563.885099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.885099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.885099 (E_RNA)
where:
Base-Base interactions energy: -387.321
where: short stacking energy: -168.852
Base-Backbone interact. energy: -0.326
local terms energy: -176.238207
where:
bonds (distance) C4'-P energy: -34.324
bonds (distance) P-C4' energy: -30.850
flat angles C4'-P-C4' energy: -37.732
flat angles P-C4'-P energy: -23.248
tors. eta vs tors. theta energy: -50.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -540.833231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.833231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.833231 (E_RNA)
where:
Base-Base interactions energy: -366.125
where: short stacking energy: -163.914
Base-Backbone interact. energy: -0.828
local terms energy: -173.879734
where:
bonds (distance) C4'-P energy: -34.067
bonds (distance) P-C4' energy: -37.817
flat angles C4'-P-C4' energy: -36.120
flat angles P-C4'-P energy: -22.607
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: 5
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -500.363807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.363807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.363807 (E_RNA)
where:
Base-Base interactions energy: -342.107
where: short stacking energy: -153.698
Base-Backbone interact. energy: -0.160
local terms energy: -158.096488
where:
bonds (distance) C4'-P energy: -32.064
bonds (distance) P-C4' energy: -39.641
flat angles C4'-P-C4' energy: -29.431
flat angles P-C4'-P energy: -13.936
tors. eta vs tors. theta energy: -43.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -416.688879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.688879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.688879 (E_RNA)
where:
Base-Base interactions energy: -269.931
where: short stacking energy: -128.030
Base-Backbone interact. energy: -1.698
local terms energy: -145.059486
where:
bonds (distance) C4'-P energy: -25.329
bonds (distance) P-C4' energy: -29.703
flat angles C4'-P-C4' energy: -33.295
flat angles P-C4'-P energy: -24.197
tors. eta vs tors. theta energy: -32.536
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: 8, replica: 10
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -243.368181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.368181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.368181 (E_RNA)
where:
Base-Base interactions energy: -126.413
where: short stacking energy: -79.248
Base-Backbone interact. energy: -0.454
local terms energy: -116.500646
where:
bonds (distance) C4'-P energy: -36.839
bonds (distance) P-C4' energy: -32.742
flat angles C4'-P-C4' energy: -21.809
flat angles P-C4'-P energy: -18.609
tors. eta vs tors. theta energy: -6.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -382.926096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.926096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.926096 (E_RNA)
where:
Base-Base interactions energy: -232.005
where: short stacking energy: -112.438
Base-Backbone interact. energy: -0.711
local terms energy: -150.209947
where:
bonds (distance) C4'-P energy: -35.483
bonds (distance) P-C4' energy: -33.365
flat angles C4'-P-C4' energy: -31.851
flat angles P-C4'-P energy: -20.363
tors. eta vs tors. theta energy: -29.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -206.167352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.167352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.167352 (E_RNA)
where:
Base-Base interactions energy: -93.216
where: short stacking energy: -61.677
Base-Backbone interact. energy: 2.663
local terms energy: -115.614235
where:
bonds (distance) C4'-P energy: -24.238
bonds (distance) P-C4' energy: -39.022
flat angles C4'-P-C4' energy: -28.325
flat angles P-C4'-P energy: -18.385
tors. eta vs tors. theta energy: -5.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -610.219880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.219880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.219880 (E_RNA)
where:
Base-Base interactions energy: -425.952
where: short stacking energy: -169.966
Base-Backbone interact. energy: -1.481
local terms energy: -182.787221
where:
bonds (distance) C4'-P energy: -33.261
bonds (distance) P-C4' energy: -34.473
flat angles C4'-P-C4' energy: -44.007
flat angles P-C4'-P energy: -26.290
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: 2
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -571.953890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.953890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.953890 (E_RNA)
where:
Base-Base interactions energy: -395.463
where: short stacking energy: -157.962
Base-Backbone interact. energy: -2.131
local terms energy: -174.360118
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -37.030
flat angles C4'-P-C4' energy: -34.991
flat angles P-C4'-P energy: -22.046
tors. eta vs tors. theta energy: -48.232
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: 9
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -582.236833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.236833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.236833 (E_RNA)
where:
Base-Base interactions energy: -385.490
where: short stacking energy: -182.831
Base-Backbone interact. energy: -0.334
local terms energy: -196.413212
where:
bonds (distance) C4'-P energy: -35.652
bonds (distance) P-C4' energy: -34.309
flat angles C4'-P-C4' energy: -41.608
flat angles P-C4'-P energy: -29.245
tors. eta vs tors. theta energy: -55.598
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: 8
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -550.053249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.053249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.053249 (E_RNA)
where:
Base-Base interactions energy: -375.084
where: short stacking energy: -151.672
Base-Backbone interact. energy: -0.563
local terms energy: -174.405721
where:
bonds (distance) C4'-P energy: -32.570
bonds (distance) P-C4' energy: -33.937
flat angles C4'-P-C4' energy: -35.881
flat angles P-C4'-P energy: -29.762
tors. eta vs tors. theta energy: -42.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -523.288350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.288350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.288350 (E_RNA)
where:
Base-Base interactions energy: -359.911
where: short stacking energy: -156.404
Base-Backbone interact. energy: -0.159
local terms energy: -163.218123
where:
bonds (distance) C4'-P energy: -31.269
bonds (distance) P-C4' energy: -28.600
flat angles C4'-P-C4' energy: -37.944
flat angles P-C4'-P energy: -19.239
tors. eta vs tors. theta energy: -46.166
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: 190
Temperature: 1.150000
Total energy: -528.347529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.347529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.347529 (E_RNA)
where:
Base-Base interactions energy: -374.236
where: short stacking energy: -142.856
Base-Backbone interact. energy: -0.863
local terms energy: -153.247812
where:
bonds (distance) C4'-P energy: -31.362
bonds (distance) P-C4' energy: -31.064
flat angles C4'-P-C4' energy: -26.707
flat angles P-C4'-P energy: -25.973
tors. eta vs tors. theta energy: -38.142
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: 6
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -429.814893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.814893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.814893 (E_RNA)
where:
Base-Base interactions energy: -290.397
where: short stacking energy: -119.864
Base-Backbone interact. energy: 1.030
local terms energy: -140.448065
where:
bonds (distance) C4'-P energy: -28.751
bonds (distance) P-C4' energy: -34.114
flat angles C4'-P-C4' energy: -35.293
flat angles P-C4'-P energy: -14.786
tors. eta vs tors. theta energy: -27.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -255.078267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.078267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.078267 (E_RNA)
where:
Base-Base interactions energy: -141.619
where: short stacking energy: -64.222
Base-Backbone interact. energy: 1.091
local terms energy: -114.550113
where:
bonds (distance) C4'-P energy: -31.321
bonds (distance) P-C4' energy: -31.492
flat angles C4'-P-C4' energy: -26.544
flat angles P-C4'-P energy: -14.879
tors. eta vs tors. theta energy: -10.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -373.368905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.368905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.368905 (E_RNA)
where:
Base-Base interactions energy: -249.393
where: short stacking energy: -116.117
Base-Backbone interact. energy: -1.706
local terms energy: -122.270349
where:
bonds (distance) C4'-P energy: -23.879
bonds (distance) P-C4' energy: -28.850
flat angles C4'-P-C4' energy: -31.053
flat angles P-C4'-P energy: -17.607
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: 10, replica: 3
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -213.116294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.116294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.116294 (E_RNA)
where:
Base-Base interactions energy: -105.099
where: short stacking energy: -77.556
Base-Backbone interact. energy: 0.230
local terms energy: -108.247167
where:
bonds (distance) C4'-P energy: -30.399
bonds (distance) P-C4' energy: -38.226
flat angles C4'-P-C4' energy: -25.941
flat angles P-C4'-P energy: -5.608
tors. eta vs tors. theta energy: -8.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -600.152506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.152506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.152506 (E_RNA)
where:
Base-Base interactions energy: -421.583
where: short stacking energy: -160.058
Base-Backbone interact. energy: -0.968
local terms energy: -177.601875
where:
bonds (distance) C4'-P energy: -37.952
bonds (distance) P-C4' energy: -36.069
flat angles C4'-P-C4' energy: -36.239
flat angles P-C4'-P energy: -21.530
tors. eta vs tors. theta energy: -45.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -574.173747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.173747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.173747 (E_RNA)
where:
Base-Base interactions energy: -387.730
where: short stacking energy: -175.184
Base-Backbone interact. energy: -0.048
local terms energy: -186.395923
where:
bonds (distance) C4'-P energy: -29.205
bonds (distance) P-C4' energy: -37.313
flat angles C4'-P-C4' energy: -40.243
flat angles P-C4'-P energy: -27.345
tors. eta vs tors. theta energy: -52.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -570.139213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.139213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.139213 (E_RNA)
where:
Base-Base interactions energy: -394.672
where: short stacking energy: -159.971
Base-Backbone interact. energy: -0.326
local terms energy: -175.140781
where:
bonds (distance) C4'-P energy: -31.120
bonds (distance) P-C4' energy: -33.625
flat angles C4'-P-C4' energy: -42.648
flat angles P-C4'-P energy: -24.803
tors. eta vs tors. theta energy: -42.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -538.052196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.052196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.052196 (E_RNA)
where:
Base-Base interactions energy: -368.646
where: short stacking energy: -152.936
Base-Backbone interact. energy: -0.652
local terms energy: -168.754164
where:
bonds (distance) C4'-P energy: -31.058
bonds (distance) P-C4' energy: -33.888
flat angles C4'-P-C4' energy: -39.315
flat angles P-C4'-P energy: -21.129
tors. eta vs tors. theta energy: -43.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -532.525003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.525003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.525003 (E_RNA)
where:
Base-Base interactions energy: -377.604
where: short stacking energy: -152.355
Base-Backbone interact. energy: -0.514
local terms energy: -154.406612
where:
bonds (distance) C4'-P energy: -29.101
bonds (distance) P-C4' energy: -32.556
flat angles C4'-P-C4' energy: -33.905
flat angles P-C4'-P energy: -21.526
tors. eta vs tors. theta energy: -37.318
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: 4
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -509.902935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.902935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.902935 (E_RNA)
where:
Base-Base interactions energy: -354.203
where: short stacking energy: -157.786
Base-Backbone interact. energy: -0.669
local terms energy: -155.031654
where:
bonds (distance) C4'-P energy: -27.481
bonds (distance) P-C4' energy: -32.412
flat angles C4'-P-C4' energy: -31.292
flat angles P-C4'-P energy: -20.986
tors. eta vs tors. theta energy: -42.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -416.081856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.081856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.081856 (E_RNA)
where:
Base-Base interactions energy: -282.275
where: short stacking energy: -119.858
Base-Backbone interact. energy: -1.972
local terms energy: -131.834864
where:
bonds (distance) C4'-P energy: -25.511
bonds (distance) P-C4' energy: -33.460
flat angles C4'-P-C4' energy: -25.195
flat angles P-C4'-P energy: -20.892
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: 8, replica: 7
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -361.763623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.763623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.763623 (E_RNA)
where:
Base-Base interactions energy: -220.638
where: short stacking energy: -113.652
Base-Backbone interact. energy: -0.331
local terms energy: -140.794725
where:
bonds (distance) C4'-P energy: -33.901
bonds (distance) P-C4' energy: -25.731
flat angles C4'-P-C4' energy: -31.598
flat angles P-C4'-P energy: -20.262
tors. eta vs tors. theta energy: -29.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -238.873585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.873585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.873585 (E_RNA)
where:
Base-Base interactions energy: -128.558
where: short stacking energy: -67.605
Base-Backbone interact. energy: -0.364
local terms energy: -109.951186
where:
bonds (distance) C4'-P energy: -28.166
bonds (distance) P-C4' energy: -31.599
flat angles C4'-P-C4' energy: -29.594
flat angles P-C4'-P energy: -17.507
tors. eta vs tors. theta energy: -3.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -158.089966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.089966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.089966 (E_RNA)
where:
Base-Base interactions energy: -52.615
where: short stacking energy: -51.000
Base-Backbone interact. energy: -0.326
local terms energy: -105.148877
where:
bonds (distance) C4'-P energy: -27.538
bonds (distance) P-C4' energy: -26.424
flat angles C4'-P-C4' energy: -36.334
flat angles P-C4'-P energy: -17.974
tors. eta vs tors. theta energy: 3.120
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: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -588.924319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.924319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.924319 (E_RNA)
where:
Base-Base interactions energy: -414.776
where: short stacking energy: -170.693
Base-Backbone interact. energy: -1.131
local terms energy: -173.017713
where:
bonds (distance) C4'-P energy: -29.871
bonds (distance) P-C4' energy: -31.462
flat angles C4'-P-C4' energy: -40.525
flat angles P-C4'-P energy: -27.145
tors. eta vs tors. theta energy: -44.015
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: 9
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -580.093242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.093242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.093242 (E_RNA)
where:
Base-Base interactions energy: -397.699
where: short stacking energy: -183.090
Base-Backbone interact. energy: -0.004
local terms energy: -182.390023
where:
bonds (distance) C4'-P energy: -35.563
bonds (distance) P-C4' energy: -32.079
flat angles C4'-P-C4' energy: -38.136
flat angles P-C4'-P energy: -25.155
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: 2
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -573.158126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.158126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.158126 (E_RNA)
where:
Base-Base interactions energy: -407.657
where: short stacking energy: -166.100
Base-Backbone interact. energy: -2.297
local terms energy: -163.204272
where:
bonds (distance) C4'-P energy: -31.028
bonds (distance) P-C4' energy: -34.822
flat angles C4'-P-C4' energy: -31.209
flat angles P-C4'-P energy: -21.487
tors. eta vs tors. theta energy: -44.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -542.923471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.923471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.923471 (E_RNA)
where:
Base-Base interactions energy: -385.618
where: short stacking energy: -156.942
Base-Backbone interact. energy: -0.972
local terms energy: -156.332958
where:
bonds (distance) C4'-P energy: -18.279
bonds (distance) P-C4' energy: -38.258
flat angles C4'-P-C4' energy: -27.066
flat angles P-C4'-P energy: -28.121
tors. eta vs tors. theta energy: -44.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -496.689132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.689132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.689132 (E_RNA)
where:
Base-Base interactions energy: -344.828
where: short stacking energy: -155.529
Base-Backbone interact. energy: -0.322
local terms energy: -151.538703
where:
bonds (distance) C4'-P energy: -25.753
bonds (distance) P-C4' energy: -36.412
flat angles C4'-P-C4' energy: -29.705
flat angles P-C4'-P energy: -19.065
tors. eta vs tors. theta energy: -40.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -531.002780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.002780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.002780 (E_RNA)
where:
Base-Base interactions energy: -367.276
where: short stacking energy: -151.736
Base-Backbone interact. energy: 4.748
local terms energy: -168.474517
where:
bonds (distance) C4'-P energy: -31.354
bonds (distance) P-C4' energy: -31.841
flat angles C4'-P-C4' energy: -31.710
flat angles P-C4'-P energy: -28.782
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: 7, replica: 6
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -437.131035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.131035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.131035 (E_RNA)
where:
Base-Base interactions energy: -293.882
where: short stacking energy: -112.053
Base-Backbone interact. energy: -1.873
local terms energy: -141.375293
where:
bonds (distance) C4'-P energy: -24.939
bonds (distance) P-C4' energy: -30.440
flat angles C4'-P-C4' energy: -31.750
flat angles P-C4'-P energy: -29.807
tors. eta vs tors. theta energy: -24.439
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: 8, replica: 7
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -358.587367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.587367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.587367 (E_RNA)
where:
Base-Base interactions energy: -215.720
where: short stacking energy: -108.415
Base-Backbone interact. energy: -1.698
local terms energy: -141.169373
where:
bonds (distance) C4'-P energy: -30.210
bonds (distance) P-C4' energy: -34.982
flat angles C4'-P-C4' energy: -30.339
flat angles P-C4'-P energy: -19.487
tors. eta vs tors. theta energy: -26.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -252.905330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.905330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.905330 (E_RNA)
where:
Base-Base interactions energy: -129.905
where: short stacking energy: -59.951
Base-Backbone interact. energy: -0.431
local terms energy: -122.568937
where:
bonds (distance) C4'-P energy: -23.250
bonds (distance) P-C4' energy: -34.000
flat angles C4'-P-C4' energy: -32.270
flat angles P-C4'-P energy: -24.686
tors. eta vs tors. theta energy: -8.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -158.509517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.509517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.509517 (E_RNA)
where:
Base-Base interactions energy: -66.728
where: short stacking energy: -51.107
Base-Backbone interact. energy: -0.410
local terms energy: -91.371649
where:
bonds (distance) C4'-P energy: -30.528
bonds (distance) P-C4' energy: -33.560
flat angles C4'-P-C4' energy: -22.858
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: 5.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -593.931785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.931785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.931785 (E_RNA)
where:
Base-Base interactions energy: -415.090
where: short stacking energy: -174.082
Base-Backbone interact. energy: -0.909
local terms energy: -177.933725
where:
bonds (distance) C4'-P energy: -32.571
bonds (distance) P-C4' energy: -36.274
flat angles C4'-P-C4' energy: -38.732
flat angles P-C4'-P energy: -25.338
tors. eta vs tors. theta energy: -45.018
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: 9
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -606.481955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.481955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.481955 (E_RNA)
where:
Base-Base interactions energy: -416.966
where: short stacking energy: -193.336
Base-Backbone interact. energy: 2.321
local terms energy: -191.837144
where:
bonds (distance) C4'-P energy: -29.718
bonds (distance) P-C4' energy: -40.917
flat angles C4'-P-C4' energy: -38.000
flat angles P-C4'-P energy: -28.269
tors. eta vs tors. theta energy: -54.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -564.704728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.704728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.704728 (E_RNA)
where:
Base-Base interactions energy: -404.354
where: short stacking energy: -158.917
Base-Backbone interact. energy: -0.785
local terms energy: -159.565801
where:
bonds (distance) C4'-P energy: -30.318
bonds (distance) P-C4' energy: -32.378
flat angles C4'-P-C4' energy: -34.051
flat angles P-C4'-P energy: -20.771
tors. eta vs tors. theta energy: -42.049
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: 193
Temperature: 1.050000
Total energy: -554.127427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.127427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.127427 (E_RNA)
where:
Base-Base interactions energy: -384.347
where: short stacking energy: -158.617
Base-Backbone interact. energy: -0.011
local terms energy: -169.768712
where:
bonds (distance) C4'-P energy: -32.562
bonds (distance) P-C4' energy: -30.868
flat angles C4'-P-C4' energy: -34.169
flat angles P-C4'-P energy: -24.486
tors. eta vs tors. theta energy: -47.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -503.970317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.970317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.970317 (E_RNA)
where:
Base-Base interactions energy: -343.970
where: short stacking energy: -153.623
Base-Backbone interact. energy: -0.123
local terms energy: -159.876985
where:
bonds (distance) C4'-P energy: -26.916
bonds (distance) P-C4' energy: -31.578
flat angles C4'-P-C4' energy: -31.203
flat angles P-C4'-P energy: -21.662
tors. eta vs tors. theta energy: -48.519
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: 8
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -508.658167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.658167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.658167 (E_RNA)
where:
Base-Base interactions energy: -347.284
where: short stacking energy: -142.594
Base-Backbone interact. energy: -0.306
local terms energy: -161.067603
where:
bonds (distance) C4'-P energy: -28.742
bonds (distance) P-C4' energy: -31.289
flat angles C4'-P-C4' energy: -34.196
flat angles P-C4'-P energy: -23.699
tors. eta vs tors. theta energy: -43.142
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: 6
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -418.119739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.119739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.119739 (E_RNA)
where:
Base-Base interactions energy: -287.660
where: short stacking energy: -132.057
Base-Backbone interact. energy: -0.416
local terms energy: -130.043266
where:
bonds (distance) C4'-P energy: -23.506
bonds (distance) P-C4' energy: -32.453
flat angles C4'-P-C4' energy: -32.524
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -29.318
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: 7
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -395.803967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.803967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.803967 (E_RNA)
where:
Base-Base interactions energy: -250.284
where: short stacking energy: -119.307
Base-Backbone interact. energy: -0.240
local terms energy: -145.280121
where:
bonds (distance) C4'-P energy: -26.553
bonds (distance) P-C4' energy: -34.339
flat angles C4'-P-C4' energy: -34.786
flat angles P-C4'-P energy: -25.446
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: 10
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -236.787220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.787220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.787220 (E_RNA)
where:
Base-Base interactions energy: -132.820
where: short stacking energy: -67.792
Base-Backbone interact. energy: -2.605
local terms energy: -101.362172
where:
bonds (distance) C4'-P energy: -18.647
bonds (distance) P-C4' energy: -29.745
flat angles C4'-P-C4' energy: -29.775
flat angles P-C4'-P energy: -22.577
tors. eta vs tors. theta energy: -0.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -164.238582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.238582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.238582 (E_RNA)
where:
Base-Base interactions energy: -58.989
where: short stacking energy: -58.214
Base-Backbone interact. energy: -0.017
local terms energy: -105.232406
where:
bonds (distance) C4'-P energy: -25.702
bonds (distance) P-C4' energy: -30.808
flat angles C4'-P-C4' energy: -28.944
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -7.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -615.810929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.810929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.810929 (E_RNA)
where:
Base-Base interactions energy: -428.151
where: short stacking energy: -202.990
Base-Backbone interact. energy: -0.305
local terms energy: -187.354757
where:
bonds (distance) C4'-P energy: -31.982
bonds (distance) P-C4' energy: -37.672
flat angles C4'-P-C4' energy: -36.581
flat angles P-C4'-P energy: -22.484
tors. eta vs tors. theta energy: -58.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -586.193791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.193791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.193791 (E_RNA)
where:
Base-Base interactions energy: -401.383
where: short stacking energy: -172.469
Base-Backbone interact. energy: -0.589
local terms energy: -184.221604
where:
bonds (distance) C4'-P energy: -35.653
bonds (distance) P-C4' energy: -37.146
flat angles C4'-P-C4' energy: -43.262
flat angles P-C4'-P energy: -25.816
tors. eta vs tors. theta energy: -42.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -556.231844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.231844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.231844 (E_RNA)
where:
Base-Base interactions energy: -383.044
where: short stacking energy: -158.159
Base-Backbone interact. energy: -0.596
local terms energy: -172.592145
where:
bonds (distance) C4'-P energy: -34.529
bonds (distance) P-C4' energy: -26.253
flat angles C4'-P-C4' energy: -33.952
flat angles P-C4'-P energy: -31.340
tors. eta vs tors. theta energy: -46.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -521.287789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.287789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.287789 (E_RNA)
where:
Base-Base interactions energy: -362.339
where: short stacking energy: -158.093
Base-Backbone interact. energy: -0.051
local terms energy: -158.897826
where:
bonds (distance) C4'-P energy: -23.866
bonds (distance) P-C4' energy: -29.575
flat angles C4'-P-C4' energy: -35.683
flat angles P-C4'-P energy: -26.350
tors. eta vs tors. theta energy: -43.424
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: 8
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -541.354018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.354018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.354018 (E_RNA)
where:
Base-Base interactions energy: -375.488
where: short stacking energy: -159.913
Base-Backbone interact. energy: -0.560
local terms energy: -165.306498
where:
bonds (distance) C4'-P energy: -31.009
bonds (distance) P-C4' energy: -36.786
flat angles C4'-P-C4' energy: -32.338
flat angles P-C4'-P energy: -21.545
tors. eta vs tors. theta energy: -43.629
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: 194
Temperature: 1.150000
Total energy: -511.228696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.228696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.228696 (E_RNA)
where:
Base-Base interactions energy: -350.936
where: short stacking energy: -160.125
Base-Backbone interact. energy: 0.653
local terms energy: -160.945571
where:
bonds (distance) C4'-P energy: -32.980
bonds (distance) P-C4' energy: -31.685
flat angles C4'-P-C4' energy: -38.562
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -46.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -426.147814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.147814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.147814 (E_RNA)
where:
Base-Base interactions energy: -269.101
where: short stacking energy: -123.404
Base-Backbone interact. energy: -1.340
local terms energy: -155.707159
where:
bonds (distance) C4'-P energy: -32.779
bonds (distance) P-C4' energy: -30.667
flat angles C4'-P-C4' energy: -35.977
flat angles P-C4'-P energy: -26.551
tors. eta vs tors. theta energy: -29.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -366.608727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.608727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.608727 (E_RNA)
where:
Base-Base interactions energy: -234.820
where: short stacking energy: -97.602
Base-Backbone interact. energy: 1.512
local terms energy: -133.300281
where:
bonds (distance) C4'-P energy: -28.584
bonds (distance) P-C4' energy: -35.494
flat angles C4'-P-C4' energy: -32.284
flat angles P-C4'-P energy: -18.949
tors. eta vs tors. theta energy: -17.990
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: 10
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -239.716498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.716498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.716498 (E_RNA)
where:
Base-Base interactions energy: -130.836
where: short stacking energy: -88.448
Base-Backbone interact. energy: -0.272
local terms energy: -108.608269
where:
bonds (distance) C4'-P energy: -25.364
bonds (distance) P-C4' energy: -31.917
flat angles C4'-P-C4' energy: -30.240
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -7.563
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: 3
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -163.475535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.475535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.475535 (E_RNA)
where:
Base-Base interactions energy: -62.213
where: short stacking energy: -48.400
Base-Backbone interact. energy: -0.771
local terms energy: -100.492023
where:
bonds (distance) C4'-P energy: -29.736
bonds (distance) P-C4' energy: -28.611
flat angles C4'-P-C4' energy: -26.906
flat angles P-C4'-P energy: -18.532
tors. eta vs tors. theta energy: 3.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -608.924269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.924269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.924269 (E_RNA)
where:
Base-Base interactions energy: -415.247
where: short stacking energy: -187.935
Base-Backbone interact. energy: -0.617
local terms energy: -193.060008
where:
bonds (distance) C4'-P energy: -37.499
bonds (distance) P-C4' energy: -38.251
flat angles C4'-P-C4' energy: -38.227
flat angles P-C4'-P energy: -24.189
tors. eta vs tors. theta energy: -54.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -573.205439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.205439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.205439 (E_RNA)
where:
Base-Base interactions energy: -399.269
where: short stacking energy: -165.709
Base-Backbone interact. energy: -2.342
local terms energy: -171.594622
where:
bonds (distance) C4'-P energy: -34.003
bonds (distance) P-C4' energy: -35.499
flat angles C4'-P-C4' energy: -30.753
flat angles P-C4'-P energy: -22.625
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: 2
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -557.022310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.022310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.022310 (E_RNA)
where:
Base-Base interactions energy: -377.924
where: short stacking energy: -162.588
Base-Backbone interact. energy: -0.173
local terms energy: -178.925861
where:
bonds (distance) C4'-P energy: -36.808
bonds (distance) P-C4' energy: -30.195
flat angles C4'-P-C4' energy: -37.078
flat angles P-C4'-P energy: -29.405
tors. eta vs tors. theta energy: -45.439
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: 4, replica: 5
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -533.078133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.078133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.078133 (E_RNA)
where:
Base-Base interactions energy: -363.467
where: short stacking energy: -152.013
Base-Backbone interact. energy: -1.224
local terms energy: -168.386845
where:
bonds (distance) C4'-P energy: -29.092
bonds (distance) P-C4' energy: -31.885
flat angles C4'-P-C4' energy: -37.873
flat angles P-C4'-P energy: -25.844
tors. eta vs tors. theta energy: -43.693
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: 5, replica: 8
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -525.832215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.832215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.832215 (E_RNA)
where:
Base-Base interactions energy: -353.250
where: short stacking energy: -157.495
Base-Backbone interact. energy: -0.217
local terms energy: -172.365406
where:
bonds (distance) C4'-P energy: -37.160
bonds (distance) P-C4' energy: -33.426
flat angles C4'-P-C4' energy: -36.617
flat angles P-C4'-P energy: -22.600
tors. eta vs tors. theta energy: -42.563
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: 4
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -514.468244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.468244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.468244 (E_RNA)
where:
Base-Base interactions energy: -348.404
where: short stacking energy: -164.668
Base-Backbone interact. energy: 3.116
local terms energy: -169.180486
where:
bonds (distance) C4'-P energy: -28.278
bonds (distance) P-C4' energy: -33.345
flat angles C4'-P-C4' energy: -38.911
flat angles P-C4'-P energy: -22.711
tors. eta vs tors. theta energy: -45.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -408.891124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.891124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.891124 (E_RNA)
where:
Base-Base interactions energy: -273.149
where: short stacking energy: -132.663
Base-Backbone interact. energy: 0.193
local terms energy: -135.935748
where:
bonds (distance) C4'-P energy: -22.144
bonds (distance) P-C4' energy: -32.966
flat angles C4'-P-C4' energy: -31.646
flat angles P-C4'-P energy: -23.945
tors. eta vs tors. theta energy: -25.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -373.984401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.984401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.984401 (E_RNA)
where:
Base-Base interactions energy: -242.899
where: short stacking energy: -111.893
Base-Backbone interact. energy: -0.347
local terms energy: -130.737809
where:
bonds (distance) C4'-P energy: -30.692
bonds (distance) P-C4' energy: -26.477
flat angles C4'-P-C4' energy: -28.545
flat angles P-C4'-P energy: -13.532
tors. eta vs tors. theta energy: -31.493
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: 10
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -251.787546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.787546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.787546 (E_RNA)
where:
Base-Base interactions energy: -126.770
where: short stacking energy: -72.147
Base-Backbone interact. energy: -0.643
local terms energy: -124.374460
where:
bonds (distance) C4'-P energy: -33.339
bonds (distance) P-C4' energy: -28.381
flat angles C4'-P-C4' energy: -31.781
flat angles P-C4'-P energy: -19.337
tors. eta vs tors. theta energy: -11.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -166.219029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.219029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.219029 (E_RNA)
where:
Base-Base interactions energy: -61.629
where: short stacking energy: -61.027
Base-Backbone interact. energy: 1.264
local terms energy: -105.854102
where:
bonds (distance) C4'-P energy: -32.670
bonds (distance) P-C4' energy: -37.429
flat angles C4'-P-C4' energy: -18.842
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -8.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -589.479909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.479909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.479909 (E_RNA)
where:
Base-Base interactions energy: -411.825
where: short stacking energy: -184.170
Base-Backbone interact. energy: 0.175
local terms energy: -177.829818
where:
bonds (distance) C4'-P energy: -31.209
bonds (distance) P-C4' energy: -39.753
flat angles C4'-P-C4' energy: -37.532
flat angles P-C4'-P energy: -22.207
tors. eta vs tors. theta energy: -47.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -600.808745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.808745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.808745 (E_RNA)
where:
Base-Base interactions energy: -413.317
where: short stacking energy: -178.797
Base-Backbone interact. energy: -0.447
local terms energy: -187.043915
where:
bonds (distance) C4'-P energy: -29.663
bonds (distance) P-C4' energy: -36.991
flat angles C4'-P-C4' energy: -39.669
flat angles P-C4'-P energy: -27.853
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: 3, replica: 5
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -559.225871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.225871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.225871 (E_RNA)
where:
Base-Base interactions energy: -396.267
where: short stacking energy: -171.467
Base-Backbone interact. energy: -1.693
local terms energy: -161.265206
where:
bonds (distance) C4'-P energy: -25.554
bonds (distance) P-C4' energy: -31.909
flat angles C4'-P-C4' energy: -35.244
flat angles P-C4'-P energy: -23.123
tors. eta vs tors. theta energy: -45.434
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: 2
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -526.683964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.683964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.683964 (E_RNA)
where:
Base-Base interactions energy: -370.879
where: short stacking energy: -141.141
Base-Backbone interact. energy: -0.336
local terms energy: -155.469045
where:
bonds (distance) C4'-P energy: -37.768
bonds (distance) P-C4' energy: -32.117
flat angles C4'-P-C4' energy: -31.996
flat angles P-C4'-P energy: -23.036
tors. eta vs tors. theta energy: -30.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -541.581567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.581567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.581567 (E_RNA)
where:
Base-Base interactions energy: -357.834
where: short stacking energy: -167.194
Base-Backbone interact. energy: -0.290
local terms energy: -183.457797
where:
bonds (distance) C4'-P energy: -40.633
bonds (distance) P-C4' energy: -35.150
flat angles C4'-P-C4' energy: -36.751
flat angles P-C4'-P energy: -23.836
tors. eta vs tors. theta energy: -47.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -479.565900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.565900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.565900 (E_RNA)
where:
Base-Base interactions energy: -317.383
where: short stacking energy: -142.898
Base-Backbone interact. energy: -1.843
local terms energy: -160.340567
where:
bonds (distance) C4'-P energy: -34.131
bonds (distance) P-C4' energy: -32.898
flat angles C4'-P-C4' energy: -30.478
flat angles P-C4'-P energy: -21.464
tors. eta vs tors. theta energy: -41.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -427.321116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.321116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.321116 (E_RNA)
where:
Base-Base interactions energy: -294.844
where: short stacking energy: -118.146
Base-Backbone interact. energy: -0.008
local terms energy: -132.469219
where:
bonds (distance) C4'-P energy: -35.498
bonds (distance) P-C4' energy: -26.438
flat angles C4'-P-C4' energy: -29.314
flat angles P-C4'-P energy: -15.713
tors. eta vs tors. theta energy: -25.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -385.559027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.559027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.559027 (E_RNA)
where:
Base-Base interactions energy: -246.189
where: short stacking energy: -109.007
Base-Backbone interact. energy: -0.783
local terms energy: -138.586729
where:
bonds (distance) C4'-P energy: -30.484
bonds (distance) P-C4' energy: -31.262
flat angles C4'-P-C4' energy: -26.329
flat angles P-C4'-P energy: -20.980
tors. eta vs tors. theta energy: -29.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -234.322002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.322002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.322002 (E_RNA)
where:
Base-Base interactions energy: -110.143
where: short stacking energy: -54.243
Base-Backbone interact. energy: 0.552
local terms energy: -124.731477
where:
bonds (distance) C4'-P energy: -25.560
bonds (distance) P-C4' energy: -37.597
flat angles C4'-P-C4' energy: -26.885
flat angles P-C4'-P energy: -25.341
tors. eta vs tors. theta energy: -9.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -182.652013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.652013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.652013 (E_RNA)
where:
Base-Base interactions energy: -68.769
where: short stacking energy: -59.990
Base-Backbone interact. energy: -0.661
local terms energy: -113.222748
where:
bonds (distance) C4'-P energy: -26.133
bonds (distance) P-C4' energy: -31.208
flat angles C4'-P-C4' energy: -33.379
flat angles P-C4'-P energy: -18.987
tors. eta vs tors. theta energy: -3.515
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: 1
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -595.658761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.658761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.658761 (E_RNA)
where:
Base-Base interactions energy: -411.012
where: short stacking energy: -179.337
Base-Backbone interact. energy: -0.173
local terms energy: -184.474137
where:
bonds (distance) C4'-P energy: -33.101
bonds (distance) P-C4' energy: -28.355
flat angles C4'-P-C4' energy: -40.223
flat angles P-C4'-P energy: -32.413
tors. eta vs tors. theta energy: -50.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -585.757866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.757866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.757866 (E_RNA)
where:
Base-Base interactions energy: -406.604
where: short stacking energy: -177.494
Base-Backbone interact. energy: 0.611
local terms energy: -179.764897
where:
bonds (distance) C4'-P energy: -24.397
bonds (distance) P-C4' energy: -36.473
flat angles C4'-P-C4' energy: -37.376
flat angles P-C4'-P energy: -28.450
tors. eta vs tors. theta energy: -53.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -560.499911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.499911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.499911 (E_RNA)
where:
Base-Base interactions energy: -386.324
where: short stacking energy: -171.408
Base-Backbone interact. energy: -0.050
local terms energy: -174.125426
where:
bonds (distance) C4'-P energy: -30.586
bonds (distance) P-C4' energy: -32.665
flat angles C4'-P-C4' energy: -38.949
flat angles P-C4'-P energy: -23.483
tors. eta vs tors. theta energy: -48.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -526.484657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.484657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.484657 (E_RNA)
where:
Base-Base interactions energy: -366.887
where: short stacking energy: -160.058
Base-Backbone interact. energy: -0.684
local terms energy: -158.913887
where:
bonds (distance) C4'-P energy: -25.988
bonds (distance) P-C4' energy: -30.541
flat angles C4'-P-C4' energy: -39.419
flat angles P-C4'-P energy: -22.905
tors. eta vs tors. theta energy: -40.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -537.668900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.668900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.668900 (E_RNA)
where:
Base-Base interactions energy: -375.586
where: short stacking energy: -157.239
Base-Backbone interact. energy: -0.710
local terms energy: -161.373367
where:
bonds (distance) C4'-P energy: -29.766
bonds (distance) P-C4' energy: -31.949
flat angles C4'-P-C4' energy: -37.817
flat angles P-C4'-P energy: -22.372
tors. eta vs tors. theta energy: -39.470
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: 4
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -515.334667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.334667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.334667 (E_RNA)
where:
Base-Base interactions energy: -347.813
where: short stacking energy: -167.393
Base-Backbone interact. energy: -0.275
local terms energy: -167.246383
where:
bonds (distance) C4'-P energy: -29.770
bonds (distance) P-C4' energy: -35.249
flat angles C4'-P-C4' energy: -36.001
flat angles P-C4'-P energy: -20.802
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: 6
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -422.173593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.173593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.173593 (E_RNA)
where:
Base-Base interactions energy: -277.549
where: short stacking energy: -129.277
Base-Backbone interact. energy: 0.433
local terms energy: -145.057242
where:
bonds (distance) C4'-P energy: -29.652
bonds (distance) P-C4' energy: -32.294
flat angles C4'-P-C4' energy: -32.059
flat angles P-C4'-P energy: -20.835
tors. eta vs tors. theta energy: -30.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -376.092617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.092617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.092617 (E_RNA)
where:
Base-Base interactions energy: -247.340
where: short stacking energy: -122.682
Base-Backbone interact. energy: -1.722
local terms energy: -127.030724
where:
bonds (distance) C4'-P energy: -29.493
bonds (distance) P-C4' energy: -24.566
flat angles C4'-P-C4' energy: -31.319
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -29.730
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: 9, replica: 10
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -252.722954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.722954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.722954 (E_RNA)
where:
Base-Base interactions energy: -139.036
where: short stacking energy: -71.466
Base-Backbone interact. energy: -2.512
local terms energy: -111.174839
where:
bonds (distance) C4'-P energy: -33.160
bonds (distance) P-C4' energy: -25.191
flat angles C4'-P-C4' energy: -26.109
flat angles P-C4'-P energy: -15.957
tors. eta vs tors. theta energy: -10.758
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: 3
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -164.236636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.236636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.236636 (E_RNA)
where:
Base-Base interactions energy: -59.619
where: short stacking energy: -57.541
Base-Backbone interact. energy: -0.606
local terms energy: -104.011186
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -36.609
flat angles C4'-P-C4' energy: -27.627
flat angles P-C4'-P energy: -29.030
tors. eta vs tors. theta energy: 1.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -608.367429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.367429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.367429 (E_RNA)
where:
Base-Base interactions energy: -426.917
where: short stacking energy: -190.411
Base-Backbone interact. energy: 0.403
local terms energy: -181.852565
where:
bonds (distance) C4'-P energy: -27.748
bonds (distance) P-C4' energy: -35.344
flat angles C4'-P-C4' energy: -38.029
flat angles P-C4'-P energy: -24.723
tors. eta vs tors. theta energy: -56.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -584.646351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.646351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.646351 (E_RNA)
where:
Base-Base interactions energy: -412.668
where: short stacking energy: -171.488
Base-Backbone interact. energy: -1.838
local terms energy: -170.140325
where:
bonds (distance) C4'-P energy: -24.794
bonds (distance) P-C4' energy: -31.092
flat angles C4'-P-C4' energy: -39.571
flat angles P-C4'-P energy: -29.619
tors. eta vs tors. theta energy: -45.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -561.303199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.303199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.303199 (E_RNA)
where:
Base-Base interactions energy: -385.199
where: short stacking energy: -160.223
Base-Backbone interact. energy: -0.483
local terms energy: -175.620680
where:
bonds (distance) C4'-P energy: -31.675
bonds (distance) P-C4' energy: -36.763
flat angles C4'-P-C4' energy: -37.069
flat angles P-C4'-P energy: -23.542
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: 4, replica: 8
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -546.085358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.085358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.085358 (E_RNA)
where:
Base-Base interactions energy: -370.946
where: short stacking energy: -158.063
Base-Backbone interact. energy: -0.632
local terms energy: -174.506493
where:
bonds (distance) C4'-P energy: -27.955
bonds (distance) P-C4' energy: -37.906
flat angles C4'-P-C4' energy: -39.173
flat angles P-C4'-P energy: -26.168
tors. eta vs tors. theta energy: -43.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -530.218356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.218356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.218356 (E_RNA)
where:
Base-Base interactions energy: -389.020
where: short stacking energy: -160.768
Base-Backbone interact. energy: -0.973
local terms energy: -140.225841
where:
bonds (distance) C4'-P energy: -22.431
bonds (distance) P-C4' energy: -32.443
flat angles C4'-P-C4' energy: -25.139
flat angles P-C4'-P energy: -20.131
tors. eta vs tors. theta energy: -40.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -502.025217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.025217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.025217 (E_RNA)
where:
Base-Base interactions energy: -341.753
where: short stacking energy: -139.347
Base-Backbone interact. energy: -0.621
local terms energy: -159.651182
where:
bonds (distance) C4'-P energy: -29.617
bonds (distance) P-C4' energy: -25.656
flat angles C4'-P-C4' energy: -38.464
flat angles P-C4'-P energy: -27.511
tors. eta vs tors. theta energy: -38.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -395.958837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.958837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.958837 (E_RNA)
where:
Base-Base interactions energy: -238.367
where: short stacking energy: -116.117
Base-Backbone interact. energy: 0.833
local terms energy: -158.424838
where:
bonds (distance) C4'-P energy: -34.265
bonds (distance) P-C4' energy: -30.477
flat angles C4'-P-C4' energy: -33.470
flat angles P-C4'-P energy: -25.580
tors. eta vs tors. theta energy: -34.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -407.987058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.987058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.987058 (E_RNA)
where:
Base-Base interactions energy: -273.989
where: short stacking energy: -117.108
Base-Backbone interact. energy: -1.443
local terms energy: -132.554344
where:
bonds (distance) C4'-P energy: -27.205
bonds (distance) P-C4' energy: -33.775
flat angles C4'-P-C4' energy: -32.848
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -27.677
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: 10
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -234.092316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.092316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.092316 (E_RNA)
where:
Base-Base interactions energy: -135.640
where: short stacking energy: -69.751
Base-Backbone interact. energy: -1.041
local terms energy: -97.410763
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -25.492
flat angles C4'-P-C4' energy: -25.712
flat angles P-C4'-P energy: -22.442
tors. eta vs tors. theta energy: -8.342
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: 198
Temperature: 1.350000
Total energy: -163.803092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.803092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.803092 (E_RNA)
where:
Base-Base interactions energy: -51.254
where: short stacking energy: -44.583
Base-Backbone interact. energy: 1.061
local terms energy: -113.609930
where:
bonds (distance) C4'-P energy: -35.271
bonds (distance) P-C4' energy: -32.857
flat angles C4'-P-C4' energy: -32.248
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -3.477
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: 9
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -616.789856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.789856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.789856 (E_RNA)
where:
Base-Base interactions energy: -423.912
where: short stacking energy: -193.549
Base-Backbone interact. energy: 0.147
local terms energy: -193.024811
where:
bonds (distance) C4'-P energy: -33.557
bonds (distance) P-C4' energy: -36.173
flat angles C4'-P-C4' energy: -40.134
flat angles P-C4'-P energy: -26.151
tors. eta vs tors. theta energy: -57.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -581.074183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.074183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.074183 (E_RNA)
where:
Base-Base interactions energy: -409.234
where: short stacking energy: -172.977
Base-Backbone interact. energy: -0.379
local terms energy: -171.461081
where:
bonds (distance) C4'-P energy: -32.901
bonds (distance) P-C4' energy: -32.965
flat angles C4'-P-C4' energy: -35.895
flat angles P-C4'-P energy: -26.998
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: 3, replica: 5
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -544.332191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.332191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.332191 (E_RNA)
where:
Base-Base interactions energy: -372.060
where: short stacking energy: -163.964
Base-Backbone interact. energy: -0.016
local terms energy: -172.255944
where:
bonds (distance) C4'-P energy: -32.514
bonds (distance) P-C4' energy: -33.109
flat angles C4'-P-C4' energy: -36.174
flat angles P-C4'-P energy: -26.985
tors. eta vs tors. theta energy: -43.474
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: 8
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -533.367283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.367283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.367283 (E_RNA)
where:
Base-Base interactions energy: -361.216
where: short stacking energy: -151.152
Base-Backbone interact. energy: -1.342
local terms energy: -170.808796
where:
bonds (distance) C4'-P energy: -34.335
bonds (distance) P-C4' energy: -31.715
flat angles C4'-P-C4' energy: -37.698
flat angles P-C4'-P energy: -26.536
tors. eta vs tors. theta energy: -40.524
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: 5, replica: 2
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -515.253992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.253992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.253992 (E_RNA)
where:
Base-Base interactions energy: -359.183
where: short stacking energy: -147.587
Base-Backbone interact. energy: -0.536
local terms energy: -155.535093
where:
bonds (distance) C4'-P energy: -32.603
bonds (distance) P-C4' energy: -29.876
flat angles C4'-P-C4' energy: -35.994
flat angles P-C4'-P energy: -26.304
tors. eta vs tors. theta energy: -30.758
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: 6, replica: 4
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -498.586821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.586821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.586821 (E_RNA)
where:
Base-Base interactions energy: -344.062
where: short stacking energy: -157.708
Base-Backbone interact. energy: -0.091
local terms energy: -154.433924
where:
bonds (distance) C4'-P energy: -38.079
bonds (distance) P-C4' energy: -21.650
flat angles C4'-P-C4' energy: -30.067
flat angles P-C4'-P energy: -21.559
tors. eta vs tors. theta energy: -43.078
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: 7
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -412.719261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.719261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.719261 (E_RNA)
where:
Base-Base interactions energy: -269.622
where: short stacking energy: -122.722
Base-Backbone interact. energy: 0.327
local terms energy: -143.424982
where:
bonds (distance) C4'-P energy: -30.429
bonds (distance) P-C4' energy: -37.420
flat angles C4'-P-C4' energy: -24.768
flat angles P-C4'-P energy: -21.926
tors. eta vs tors. theta energy: -28.881
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: 6
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -387.501460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.501460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.501460 (E_RNA)
where:
Base-Base interactions energy: -262.088
where: short stacking energy: -109.478
Base-Backbone interact. energy: -0.900
local terms energy: -124.513735
where:
bonds (distance) C4'-P energy: -23.555
bonds (distance) P-C4' energy: -26.031
flat angles C4'-P-C4' energy: -26.739
flat angles P-C4'-P energy: -24.642
tors. eta vs tors. theta energy: -23.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -241.856600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.856600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.856600 (E_RNA)
where:
Base-Base interactions energy: -127.922
where: short stacking energy: -61.813
Base-Backbone interact. energy: -1.342
local terms energy: -112.593079
where:
bonds (distance) C4'-P energy: -28.494
bonds (distance) P-C4' energy: -31.843
flat angles C4'-P-C4' energy: -33.626
flat angles P-C4'-P energy: -16.680
tors. eta vs tors. theta energy: -1.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -159.196564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.196564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.196564 (E_RNA)
where:
Base-Base interactions energy: -56.001
where: short stacking energy: -49.975
Base-Backbone interact. energy: -0.356
local terms energy: -102.839037
where:
bonds (distance) C4'-P energy: -29.228
bonds (distance) P-C4' energy: -26.911
flat angles C4'-P-C4' energy: -30.732
flat angles P-C4'-P energy: -19.074
tors. eta vs tors. theta energy: 3.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -615.296965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.296965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.296965 (E_RNA)
where:
Base-Base interactions energy: -421.985
where: short stacking energy: -182.939
Base-Backbone interact. energy: -0.151
local terms energy: -193.161171
where:
bonds (distance) C4'-P energy: -35.540
bonds (distance) P-C4' energy: -41.630
flat angles C4'-P-C4' energy: -29.281
flat angles P-C4'-P energy: -30.160
tors. eta vs tors. theta energy: -56.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -588.274179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.274179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.274179 (E_RNA)
where:
Base-Base interactions energy: -403.498
where: short stacking energy: -179.988
Base-Backbone interact. energy: -1.158
local terms energy: -183.618238
where:
bonds (distance) C4'-P energy: -35.789
bonds (distance) P-C4' energy: -29.483
flat angles C4'-P-C4' energy: -39.267
flat angles P-C4'-P energy: -26.674
tors. eta vs tors. theta energy: -52.406
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: 5
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -559.171192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.171192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.171192 (E_RNA)
where:
Base-Base interactions energy: -382.704
where: short stacking energy: -157.373
Base-Backbone interact. energy: -0.350
local terms energy: -176.116721
where:
bonds (distance) C4'-P energy: -30.859
bonds (distance) P-C4' energy: -32.096
flat angles C4'-P-C4' energy: -36.160
flat angles P-C4'-P energy: -26.297
tors. eta vs tors. theta energy: -50.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -520.508928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.508928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.508928 (E_RNA)
where:
Base-Base interactions energy: -354.867
where: short stacking energy: -159.451
Base-Backbone interact. energy: -1.060
local terms energy: -164.582340
where:
bonds (distance) C4'-P energy: -34.381
bonds (distance) P-C4' energy: -33.237
flat angles C4'-P-C4' energy: -33.632
flat angles P-C4'-P energy: -22.315
tors. eta vs tors. theta energy: -41.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -540.746564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.746564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.746564 (E_RNA)
where:
Base-Base interactions energy: -380.650
where: short stacking energy: -152.704
Base-Backbone interact. energy: -1.347
local terms energy: -158.749651
where:
bonds (distance) C4'-P energy: -24.605
bonds (distance) P-C4' energy: -37.117
flat angles C4'-P-C4' energy: -38.006
flat angles P-C4'-P energy: -21.180
tors. eta vs tors. theta energy: -37.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -506.803404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.803404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.803404 (E_RNA)
where:
Base-Base interactions energy: -336.875
where: short stacking energy: -146.903
Base-Backbone interact. energy: -0.529
local terms energy: -169.400037
where:
bonds (distance) C4'-P energy: -34.821
bonds (distance) P-C4' energy: -37.747
flat angles C4'-P-C4' energy: -37.156
flat angles P-C4'-P energy: -21.827
tors. eta vs tors. theta energy: -37.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -416.863700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.863700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.863700 (E_RNA)
where:
Base-Base interactions energy: -265.512
where: short stacking energy: -109.871
Base-Backbone interact. energy: -0.955
local terms energy: -150.396830
where:
bonds (distance) C4'-P energy: -28.730
bonds (distance) P-C4' energy: -38.732
flat angles C4'-P-C4' energy: -28.702
flat angles P-C4'-P energy: -24.785
tors. eta vs tors. theta energy: -29.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -370.332680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.332680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.332680 (E_RNA)
where:
Base-Base interactions energy: -248.413
where: short stacking energy: -106.993
Base-Backbone interact. energy: -0.571
local terms energy: -121.348165
where:
bonds (distance) C4'-P energy: -33.500
bonds (distance) P-C4' energy: -21.160
flat angles C4'-P-C4' energy: -30.706
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -25.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -217.246987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.246987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.246987 (E_RNA)
where:
Base-Base interactions energy: -115.766
where: short stacking energy: -64.056
Base-Backbone interact. energy: -0.718
local terms energy: -100.763013
where:
bonds (distance) C4'-P energy: -16.905
bonds (distance) P-C4' energy: -27.982
flat angles C4'-P-C4' energy: -29.219
flat angles P-C4'-P energy: -18.086
tors. eta vs tors. theta energy: -8.571
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: 200
Temperature: 1.350000
Total energy: -155.126086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.126086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.126086 (E_RNA)
where:
Base-Base interactions energy: -65.672
where: short stacking energy: -34.450
Base-Backbone interact. energy: -0.450
local terms energy: -89.004417
where:
bonds (distance) C4'-P energy: -30.812
bonds (distance) P-C4' energy: -26.731
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -13.374
tors. eta vs tors. theta energy: -1.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -602.309884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.309884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.309884 (E_RNA)
where:
Base-Base interactions energy: -410.115
where: short stacking energy: -188.821
Base-Backbone interact. energy: -0.365
local terms energy: -191.830338
where:
bonds (distance) C4'-P energy: -35.661
bonds (distance) P-C4' energy: -32.044
flat angles C4'-P-C4' energy: -42.505
flat angles P-C4'-P energy: -25.719
tors. eta vs tors. theta energy: -55.901
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: 5
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -578.823400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.823400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.823400 (E_RNA)
where:
Base-Base interactions energy: -402.082
where: short stacking energy: -172.236
Base-Backbone interact. energy: 0.233
local terms energy: -176.974475
where:
bonds (distance) C4'-P energy: -34.613
bonds (distance) P-C4' energy: -33.957
flat angles C4'-P-C4' energy: -34.664
flat angles P-C4'-P energy: -26.546
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: 3, replica: 1
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -577.085964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.085964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.085964 (E_RNA)
where:
Base-Base interactions energy: -403.962
where: short stacking energy: -157.552
Base-Backbone interact. energy: 1.490
local terms energy: -174.613217
where:
bonds (distance) C4'-P energy: -32.313
bonds (distance) P-C4' energy: -31.983
flat angles C4'-P-C4' energy: -36.005
flat angles P-C4'-P energy: -30.371
tors. eta vs tors. theta energy: -43.942
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: 4, replica: 8
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -518.369416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.369416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.369416 (E_RNA)
where:
Base-Base interactions energy: -362.400
where: short stacking energy: -153.109
Base-Backbone interact. energy: -0.662
local terms energy: -155.307726
where:
bonds (distance) C4'-P energy: -30.495
bonds (distance) P-C4' energy: -29.183
flat angles C4'-P-C4' energy: -35.159
flat angles P-C4'-P energy: -25.162
tors. eta vs tors. theta energy: -35.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -524.278442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.278442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.278442 (E_RNA)
where:
Base-Base interactions energy: -352.798
where: short stacking energy: -155.864
Base-Backbone interact. energy: -1.157
local terms energy: -170.323593
where:
bonds (distance) C4'-P energy: -30.852
bonds (distance) P-C4' energy: -41.266
flat angles C4'-P-C4' energy: -36.965
flat angles P-C4'-P energy: -22.151
tors. eta vs tors. theta energy: -39.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -501.138761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.138761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.138761 (E_RNA)
where:
Base-Base interactions energy: -347.047
where: short stacking energy: -143.968
Base-Backbone interact. energy: -0.540
local terms energy: -153.551928
where:
bonds (distance) C4'-P energy: -34.261
bonds (distance) P-C4' energy: -25.056
flat angles C4'-P-C4' energy: -35.490
flat angles P-C4'-P energy: -19.599
tors. eta vs tors. theta energy: -39.146
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: 6
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -448.125050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.125050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.125050 (E_RNA)
where:
Base-Base interactions energy: -306.526
where: short stacking energy: -120.050
Base-Backbone interact. energy: -2.200
local terms energy: -139.398625
where:
bonds (distance) C4'-P energy: -29.059
bonds (distance) P-C4' energy: -31.579
flat angles C4'-P-C4' energy: -33.595
flat angles P-C4'-P energy: -16.702
tors. eta vs tors. theta energy: -28.464
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: 7
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -375.548947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.548947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.548947 (E_RNA)
where:
Base-Base interactions energy: -244.619
where: short stacking energy: -115.404
Base-Backbone interact. energy: -0.812
local terms energy: -130.117721
where:
bonds (distance) C4'-P energy: -33.657
bonds (distance) P-C4' energy: -33.547
flat angles C4'-P-C4' energy: -27.015
flat angles P-C4'-P energy: -17.582
tors. eta vs tors. theta energy: -18.317
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: 201
Temperature: 1.300000
Total energy: -227.063008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.063008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.063008 (E_RNA)
where:
Base-Base interactions energy: -122.180
where: short stacking energy: -65.415
Base-Backbone interact. energy: 0.546
local terms energy: -105.428754
where:
bonds (distance) C4'-P energy: -28.645
bonds (distance) P-C4' energy: -30.767
flat angles C4'-P-C4' energy: -21.666
flat angles P-C4'-P energy: -19.209
tors. eta vs tors. theta energy: -5.141
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: 3
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -154.727974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.727974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.727974 (E_RNA)
where:
Base-Base interactions energy: -55.924
where: short stacking energy: -39.214
Base-Backbone interact. energy: -0.615
local terms energy: -98.189082
where:
bonds (distance) C4'-P energy: -32.721
bonds (distance) P-C4' energy: -24.197
flat angles C4'-P-C4' energy: -21.437
flat angles P-C4'-P energy: -17.094
tors. eta vs tors. theta energy: -2.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -608.620734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.620734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.620734 (E_RNA)
where:
Base-Base interactions energy: -409.362
where: short stacking energy: -193.158
Base-Backbone interact. energy: -0.420
local terms energy: -198.838916
where:
bonds (distance) C4'-P energy: -36.936
bonds (distance) P-C4' energy: -37.293
flat angles C4'-P-C4' energy: -42.029
flat angles P-C4'-P energy: -25.806
tors. eta vs tors. theta energy: -56.775
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: 2, replica: 5
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -580.284267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.284267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.284267 (E_RNA)
where:
Base-Base interactions energy: -404.784
where: short stacking energy: -172.592
Base-Backbone interact. energy: -0.395
local terms energy: -175.105437
where:
bonds (distance) C4'-P energy: -31.332
bonds (distance) P-C4' energy: -35.626
flat angles C4'-P-C4' energy: -37.654
flat angles P-C4'-P energy: -20.760
tors. eta vs tors. theta energy: -49.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -576.199040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.199040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.199040 (E_RNA)
where:
Base-Base interactions energy: -401.644
where: short stacking energy: -155.325
Base-Backbone interact. energy: -1.201
local terms energy: -173.354179
where:
bonds (distance) C4'-P energy: -26.235
bonds (distance) P-C4' energy: -39.699
flat angles C4'-P-C4' energy: -37.068
flat angles P-C4'-P energy: -26.231
tors. eta vs tors. theta energy: -44.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -517.692089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.692089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.692089 (E_RNA)
where:
Base-Base interactions energy: -360.219
where: short stacking energy: -159.024
Base-Backbone interact. energy: -0.595
local terms energy: -156.878112
where:
bonds (distance) C4'-P energy: -24.800
bonds (distance) P-C4' energy: -31.561
flat angles C4'-P-C4' energy: -35.318
flat angles P-C4'-P energy: -22.797
tors. eta vs tors. theta energy: -42.401
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: 5, replica: 4
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -493.709799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.709799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.709799 (E_RNA)
where:
Base-Base interactions energy: -338.177
where: short stacking energy: -151.784
Base-Backbone interact. energy: 0.680
local terms energy: -156.213452
where:
bonds (distance) C4'-P energy: -31.380
bonds (distance) P-C4' energy: -35.614
flat angles C4'-P-C4' energy: -35.754
flat angles P-C4'-P energy: -19.722
tors. eta vs tors. theta energy: -33.744
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: 2
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -493.370082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.370082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.370082 (E_RNA)
where:
Base-Base interactions energy: -352.961
where: short stacking energy: -148.743
Base-Backbone interact. energy: 0.717
local terms energy: -141.126595
where:
bonds (distance) C4'-P energy: -30.918
bonds (distance) P-C4' energy: -21.755
flat angles C4'-P-C4' energy: -29.465
flat angles P-C4'-P energy: -21.043
tors. eta vs tors. theta energy: -37.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -420.417700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.417700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.417700 (E_RNA)
where:
Base-Base interactions energy: -287.121
where: short stacking energy: -127.635
Base-Backbone interact. energy: -0.348
local terms energy: -132.948689
where:
bonds (distance) C4'-P energy: -31.145
bonds (distance) P-C4' energy: -25.884
flat angles C4'-P-C4' energy: -25.349
flat angles P-C4'-P energy: -21.046
tors. eta vs tors. theta energy: -29.525
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: 7
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -365.714097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.714097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.714097 (E_RNA)
where:
Base-Base interactions energy: -245.108
where: short stacking energy: -119.627
Base-Backbone interact. energy: 0.024
local terms energy: -120.629630
where:
bonds (distance) C4'-P energy: -28.697
bonds (distance) P-C4' energy: -22.487
flat angles C4'-P-C4' energy: -27.040
flat angles P-C4'-P energy: -17.376
tors. eta vs tors. theta energy: -25.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -321.649763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.649763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.649763 (E_RNA)
where:
Base-Base interactions energy: -205.009
where: short stacking energy: -98.361
Base-Backbone interact. energy: 0.063
local terms energy: -116.703764
where:
bonds (distance) C4'-P energy: -20.586
bonds (distance) P-C4' energy: -32.632
flat angles C4'-P-C4' energy: -33.134
flat angles P-C4'-P energy: -17.626
tors. eta vs tors. theta energy: -12.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -152.167957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.167957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.167957 (E_RNA)
where:
Base-Base interactions energy: -53.749
where: short stacking energy: -49.075
Base-Backbone interact. energy: 0.856
local terms energy: -99.274977
where:
bonds (distance) C4'-P energy: -33.379
bonds (distance) P-C4' energy: -27.093
flat angles C4'-P-C4' energy: -30.955
flat angles P-C4'-P energy: -15.407
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: 9
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -601.664993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.664993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.664993 (E_RNA)
where:
Base-Base interactions energy: -410.642
where: short stacking energy: -181.835
Base-Backbone interact. energy: 0.729
local terms energy: -191.752214
where:
bonds (distance) C4'-P energy: -33.588
bonds (distance) P-C4' energy: -36.214
flat angles C4'-P-C4' energy: -39.867
flat angles P-C4'-P energy: -24.875
tors. eta vs tors. theta energy: -57.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -609.123387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.123387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.123387 (E_RNA)
where:
Base-Base interactions energy: -425.371
where: short stacking energy: -165.682
Base-Backbone interact. energy: -0.964
local terms energy: -182.787709
where:
bonds (distance) C4'-P energy: -29.390
bonds (distance) P-C4' energy: -36.793
flat angles C4'-P-C4' energy: -38.805
flat angles P-C4'-P energy: -22.023
tors. eta vs tors. theta energy: -55.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -569.894541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.894541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.894541 (E_RNA)
where:
Base-Base interactions energy: -404.162
where: short stacking energy: -166.342
Base-Backbone interact. energy: 0.575
local terms energy: -166.307813
where:
bonds (distance) C4'-P energy: -32.519
bonds (distance) P-C4' energy: -34.413
flat angles C4'-P-C4' energy: -36.487
flat angles P-C4'-P energy: -19.713
tors. eta vs tors. theta energy: -43.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -526.128436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.128436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.128436 (E_RNA)
where:
Base-Base interactions energy: -357.123
where: short stacking energy: -146.509
Base-Backbone interact. energy: -0.588
local terms energy: -168.418043
where:
bonds (distance) C4'-P energy: -29.513
bonds (distance) P-C4' energy: -33.782
flat angles C4'-P-C4' energy: -37.201
flat angles P-C4'-P energy: -23.718
tors. eta vs tors. theta energy: -44.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -491.610427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.610427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.610427 (E_RNA)
where:
Base-Base interactions energy: -346.198
where: short stacking energy: -143.470
Base-Backbone interact. energy: 0.375
local terms energy: -145.787213
where:
bonds (distance) C4'-P energy: -27.469
bonds (distance) P-C4' energy: -31.812
flat angles C4'-P-C4' energy: -30.270
flat angles P-C4'-P energy: -22.851
tors. eta vs tors. theta energy: -33.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -513.991573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.991573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.991573 (E_RNA)
where:
Base-Base interactions energy: -358.547
where: short stacking energy: -151.595
Base-Backbone interact. energy: 0.412
local terms energy: -155.856872
where:
bonds (distance) C4'-P energy: -28.864
bonds (distance) P-C4' energy: -29.873
flat angles C4'-P-C4' energy: -30.564
flat angles P-C4'-P energy: -27.678
tors. eta vs tors. theta energy: -38.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -416.680977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.680977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.680977 (E_RNA)
where:
Base-Base interactions energy: -281.635
where: short stacking energy: -116.602
Base-Backbone interact. energy: 0.283
local terms energy: -135.328206
where:
bonds (distance) C4'-P energy: -28.621
bonds (distance) P-C4' energy: -29.619
flat angles C4'-P-C4' energy: -29.816
flat angles P-C4'-P energy: -16.023
tors. eta vs tors. theta energy: -31.248
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: 7
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -381.112540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.112540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.112540 (E_RNA)
where:
Base-Base interactions energy: -240.840
where: short stacking energy: -108.262
Base-Backbone interact. energy: 0.050
local terms energy: -140.322790
where:
bonds (distance) C4'-P energy: -21.776
bonds (distance) P-C4' energy: -36.945
flat angles C4'-P-C4' energy: -36.150
flat angles P-C4'-P energy: -20.003
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: 10
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -305.259807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.259807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.259807 (E_RNA)
where:
Base-Base interactions energy: -176.703
where: short stacking energy: -83.753
Base-Backbone interact. energy: -1.393
local terms energy: -127.164197
where:
bonds (distance) C4'-P energy: -28.051
bonds (distance) P-C4' energy: -31.791
flat angles C4'-P-C4' energy: -35.027
flat angles P-C4'-P energy: -23.352
tors. eta vs tors. theta energy: -8.944
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: 3
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -168.749839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.749839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.749839 (E_RNA)
where:
Base-Base interactions energy: -77.297
where: short stacking energy: -60.686
Base-Backbone interact. energy: 0.664
local terms energy: -92.117551
where:
bonds (distance) C4'-P energy: -26.865
bonds (distance) P-C4' energy: -27.987
flat angles C4'-P-C4' energy: -26.976
flat angles P-C4'-P energy: -6.515
tors. eta vs tors. theta energy: -3.775
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: 1, replica: 1
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -596.032432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.032432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.032432 (E_RNA)
where:
Base-Base interactions energy: -420.546
where: short stacking energy: -172.980
Base-Backbone interact. energy: 0.170
local terms energy: -175.656207
where:
bonds (distance) C4'-P energy: -31.182
bonds (distance) P-C4' energy: -35.751
flat angles C4'-P-C4' energy: -41.519
flat angles P-C4'-P energy: -20.174
tors. eta vs tors. theta energy: -47.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -591.594862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.594862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.594862 (E_RNA)
where:
Base-Base interactions energy: -398.401
where: short stacking energy: -172.123
Base-Backbone interact. energy: -0.038
local terms energy: -193.156102
where:
bonds (distance) C4'-P energy: -33.457
bonds (distance) P-C4' energy: -38.419
flat angles C4'-P-C4' energy: -40.509
flat angles P-C4'-P energy: -22.868
tors. eta vs tors. theta energy: -57.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -556.466168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.466168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.466168 (E_RNA)
where:
Base-Base interactions energy: -377.799
where: short stacking energy: -162.036
Base-Backbone interact. energy: -0.335
local terms energy: -178.332227
where:
bonds (distance) C4'-P energy: -34.334
bonds (distance) P-C4' energy: -38.551
flat angles C4'-P-C4' energy: -37.282
flat angles P-C4'-P energy: -26.500
tors. eta vs tors. theta energy: -41.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -530.786034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.786034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.786034 (E_RNA)
where:
Base-Base interactions energy: -363.919
where: short stacking energy: -163.908
Base-Backbone interact. energy: 1.187
local terms energy: -168.054202
where:
bonds (distance) C4'-P energy: -28.480
bonds (distance) P-C4' energy: -34.420
flat angles C4'-P-C4' energy: -34.254
flat angles P-C4'-P energy: -25.332
tors. eta vs tors. theta energy: -45.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -525.084028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.084028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.084028 (E_RNA)
where:
Base-Base interactions energy: -362.870
where: short stacking energy: -150.900
Base-Backbone interact. energy: -0.699
local terms energy: -161.514848
where:
bonds (distance) C4'-P energy: -39.122
bonds (distance) P-C4' energy: -31.498
flat angles C4'-P-C4' energy: -30.777
flat angles P-C4'-P energy: -20.021
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: 6, replica: 4
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -479.705910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.705910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.705910 (E_RNA)
where:
Base-Base interactions energy: -316.140
where: short stacking energy: -131.930
Base-Backbone interact. energy: -0.611
local terms energy: -162.955100
where:
bonds (distance) C4'-P energy: -32.015
bonds (distance) P-C4' energy: -33.760
flat angles C4'-P-C4' energy: -38.529
flat angles P-C4'-P energy: -23.087
tors. eta vs tors. theta energy: -35.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -409.731796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.731796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.731796 (E_RNA)
where:
Base-Base interactions energy: -274.952
where: short stacking energy: -112.217
Base-Backbone interact. energy: 2.043
local terms energy: -136.823174
where:
bonds (distance) C4'-P energy: -36.812
bonds (distance) P-C4' energy: -34.052
flat angles C4'-P-C4' energy: -21.155
flat angles P-C4'-P energy: -20.768
tors. eta vs tors. theta energy: -24.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -355.546086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.546086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.546086 (E_RNA)
where:
Base-Base interactions energy: -224.189
where: short stacking energy: -99.395
Base-Backbone interact. energy: 0.616
local terms energy: -131.972907
where:
bonds (distance) C4'-P energy: -35.040
bonds (distance) P-C4' energy: -30.429
flat angles C4'-P-C4' energy: -28.219
flat angles P-C4'-P energy: -24.064
tors. eta vs tors. theta energy: -14.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -349.341726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.341726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.341726 (E_RNA)
where:
Base-Base interactions energy: -219.844
where: short stacking energy: -103.713
Base-Backbone interact. energy: -0.447
local terms energy: -129.050220
where:
bonds (distance) C4'-P energy: -23.654
bonds (distance) P-C4' energy: -31.224
flat angles C4'-P-C4' energy: -28.735
flat angles P-C4'-P energy: -20.059
tors. eta vs tors. theta energy: -25.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -163.384449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.384449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.384449 (E_RNA)
where:
Base-Base interactions energy: -63.303
where: short stacking energy: -45.080
Base-Backbone interact. energy: -2.388
local terms energy: -97.692956
where:
bonds (distance) C4'-P energy: -29.154
bonds (distance) P-C4' energy: -29.229
flat angles C4'-P-C4' energy: -22.257
flat angles P-C4'-P energy: -25.447
tors. eta vs tors. theta energy: 8.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -588.043978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.043978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.043978 (E_RNA)
where:
Base-Base interactions energy: -422.454
where: short stacking energy: -173.160
Base-Backbone interact. energy: -3.169
local terms energy: -162.421203
where:
bonds (distance) C4'-P energy: -24.503
bonds (distance) P-C4' energy: -33.873
flat angles C4'-P-C4' energy: -34.240
flat angles P-C4'-P energy: -25.565
tors. eta vs tors. theta energy: -44.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -594.299586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.299586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.299586 (E_RNA)
where:
Base-Base interactions energy: -405.159
where: short stacking energy: -177.865
Base-Backbone interact. energy: -0.679
local terms energy: -188.462269
where:
bonds (distance) C4'-P energy: -32.918
bonds (distance) P-C4' energy: -38.361
flat angles C4'-P-C4' energy: -39.508
flat angles P-C4'-P energy: -25.722
tors. eta vs tors. theta energy: -51.953
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: 3, replica: 8
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -557.710291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.710291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.710291 (E_RNA)
where:
Base-Base interactions energy: -377.301
where: short stacking energy: -165.240
Base-Backbone interact. energy: 1.087
local terms energy: -181.496324
where:
bonds (distance) C4'-P energy: -31.469
bonds (distance) P-C4' energy: -35.536
flat angles C4'-P-C4' energy: -38.730
flat angles P-C4'-P energy: -28.321
tors. eta vs tors. theta energy: -47.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -554.574170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.574170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.574170 (E_RNA)
where:
Base-Base interactions energy: -398.102
where: short stacking energy: -160.229
Base-Backbone interact. energy: 1.329
local terms energy: -157.800868
where:
bonds (distance) C4'-P energy: -36.302
bonds (distance) P-C4' energy: -25.816
flat angles C4'-P-C4' energy: -39.352
flat angles P-C4'-P energy: -19.730
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: 5, replica: 5
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -486.476552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.476552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.476552 (E_RNA)
where:
Base-Base interactions energy: -324.470
where: short stacking energy: -125.956
Base-Backbone interact. energy: -0.106
local terms energy: -161.901195
where:
bonds (distance) C4'-P energy: -32.936
bonds (distance) P-C4' energy: -33.171
flat angles C4'-P-C4' energy: -36.115
flat angles P-C4'-P energy: -26.992
tors. eta vs tors. theta energy: -32.687
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: 4
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -488.322017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.322017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.322017 (E_RNA)
where:
Base-Base interactions energy: -329.320
where: short stacking energy: -129.820
Base-Backbone interact. energy: 0.055
local terms energy: -159.057082
where:
bonds (distance) C4'-P energy: -23.885
bonds (distance) P-C4' energy: -35.385
flat angles C4'-P-C4' energy: -33.906
flat angles P-C4'-P energy: -27.414
tors. eta vs tors. theta energy: -38.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -418.182734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.182734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.182734 (E_RNA)
where:
Base-Base interactions energy: -277.470
where: short stacking energy: -127.540
Base-Backbone interact. energy: -0.703
local terms energy: -140.010516
where:
bonds (distance) C4'-P energy: -33.288
bonds (distance) P-C4' energy: -38.147
flat angles C4'-P-C4' energy: -25.744
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -30.155
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: 205
Temperature: 1.250000
Total energy: -359.116986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.116986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.116986 (E_RNA)
where:
Base-Base interactions energy: -230.513
where: short stacking energy: -99.005
Base-Backbone interact. energy: 0.770
local terms energy: -129.374588
where:
bonds (distance) C4'-P energy: -34.631
bonds (distance) P-C4' energy: -24.497
flat angles C4'-P-C4' energy: -34.017
flat angles P-C4'-P energy: -20.386
tors. eta vs tors. theta energy: -15.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -335.611215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.611215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.611215 (E_RNA)
where:
Base-Base interactions energy: -211.732
where: short stacking energy: -99.633
Base-Backbone interact. energy: 0.459
local terms energy: -124.337342
where:
bonds (distance) C4'-P energy: -25.061
bonds (distance) P-C4' energy: -37.222
flat angles C4'-P-C4' energy: -24.374
flat angles P-C4'-P energy: -20.172
tors. eta vs tors. theta energy: -17.509
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: 205
Temperature: 1.350000
Total energy: -154.249780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.249780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.249780 (E_RNA)
where:
Base-Base interactions energy: -48.302
where: short stacking energy: -34.884
Base-Backbone interact. energy: -0.769
local terms energy: -105.178013
where:
bonds (distance) C4'-P energy: -27.355
bonds (distance) P-C4' energy: -33.175
flat angles C4'-P-C4' energy: -30.805
flat angles P-C4'-P energy: -14.419
tors. eta vs tors. theta energy: 0.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -618.452710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.452710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.452710 (E_RNA)
where:
Base-Base interactions energy: -432.704
where: short stacking energy: -193.200
Base-Backbone interact. energy: -0.005
local terms energy: -185.744223
where:
bonds (distance) C4'-P energy: -34.990
bonds (distance) P-C4' energy: -30.529
flat angles C4'-P-C4' energy: -38.098
flat angles P-C4'-P energy: -26.547
tors. eta vs tors. theta energy: -55.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -573.284396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.284396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.284396 (E_RNA)
where:
Base-Base interactions energy: -400.713
where: short stacking energy: -160.836
Base-Backbone interact. energy: -1.664
local terms energy: -170.906803
where:
bonds (distance) C4'-P energy: -37.434
bonds (distance) P-C4' energy: -34.693
flat angles C4'-P-C4' energy: -36.040
flat angles P-C4'-P energy: -21.180
tors. eta vs tors. theta energy: -41.559
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: 206
Temperature: 1.000000
Total energy: -555.835517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.835517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.835517 (E_RNA)
where:
Base-Base interactions energy: -376.466
where: short stacking energy: -159.954
Base-Backbone interact. energy: -0.079
local terms energy: -179.290862
where:
bonds (distance) C4'-P energy: -36.728
bonds (distance) P-C4' energy: -33.339
flat angles C4'-P-C4' energy: -41.573
flat angles P-C4'-P energy: -24.013
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: 2
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -549.871290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.871290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.871290 (E_RNA)
where:
Base-Base interactions energy: -388.959
where: short stacking energy: -149.808
Base-Backbone interact. energy: 0.826
local terms energy: -161.738586
where:
bonds (distance) C4'-P energy: -34.815
bonds (distance) P-C4' energy: -31.122
flat angles C4'-P-C4' energy: -34.117
flat angles P-C4'-P energy: -24.141
tors. eta vs tors. theta energy: -37.543
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: 4
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -525.259738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.259738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.259738 (E_RNA)
where:
Base-Base interactions energy: -360.957
where: short stacking energy: -133.991
Base-Backbone interact. energy: 0.076
local terms energy: -164.378556
where:
bonds (distance) C4'-P energy: -27.332
bonds (distance) P-C4' energy: -32.579
flat angles C4'-P-C4' energy: -37.028
flat angles P-C4'-P energy: -25.478
tors. eta vs tors. theta energy: -41.962
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: 5
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -493.215900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.215900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.215900 (E_RNA)
where:
Base-Base interactions energy: -338.748
where: short stacking energy: -148.050
Base-Backbone interact. energy: -0.130
local terms energy: -154.338555
where:
bonds (distance) C4'-P energy: -35.300
bonds (distance) P-C4' energy: -28.269
flat angles C4'-P-C4' energy: -29.661
flat angles P-C4'-P energy: -21.744
tors. eta vs tors. theta energy: -39.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -390.868848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.868848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.868848 (E_RNA)
where:
Base-Base interactions energy: -252.931
where: short stacking energy: -129.274
Base-Backbone interact. energy: -0.765
local terms energy: -137.172647
where:
bonds (distance) C4'-P energy: -24.908
bonds (distance) P-C4' energy: -25.741
flat angles C4'-P-C4' energy: -34.859
flat angles P-C4'-P energy: -25.025
tors. eta vs tors. theta energy: -26.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -406.680498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.680498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.680498 (E_RNA)
where:
Base-Base interactions energy: -270.276
where: short stacking energy: -114.533
Base-Backbone interact. energy: -0.297
local terms energy: -136.107088
where:
bonds (distance) C4'-P energy: -24.051
bonds (distance) P-C4' energy: -35.585
flat angles C4'-P-C4' energy: -31.535
flat angles P-C4'-P energy: -19.245
tors. eta vs tors. theta energy: -25.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -363.523136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.523136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.523136 (E_RNA)
where:
Base-Base interactions energy: -235.111
where: short stacking energy: -130.275
Base-Backbone interact. energy: -0.042
local terms energy: -128.370514
where:
bonds (distance) C4'-P energy: -27.117
bonds (distance) P-C4' energy: -29.084
flat angles C4'-P-C4' energy: -31.030
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -29.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -213.720865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.720865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.720865 (E_RNA)
where:
Base-Base interactions energy: -119.954
where: short stacking energy: -47.607
Base-Backbone interact. energy: -0.065
local terms energy: -93.701213
where:
bonds (distance) C4'-P energy: -22.186
bonds (distance) P-C4' energy: -30.868
flat angles C4'-P-C4' energy: -26.738
flat angles P-C4'-P energy: -19.770
tors. eta vs tors. theta energy: 5.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -609.175005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.175005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.175005 (E_RNA)
where:
Base-Base interactions energy: -416.123
where: short stacking energy: -189.145
Base-Backbone interact. energy: -0.279
local terms energy: -192.773554
where:
bonds (distance) C4'-P energy: -36.742
bonds (distance) P-C4' energy: -34.713
flat angles C4'-P-C4' energy: -39.892
flat angles P-C4'-P energy: -25.828
tors. eta vs tors. theta energy: -55.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -582.120069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.120069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.120069 (E_RNA)
where:
Base-Base interactions energy: -405.006
where: short stacking energy: -160.260
Base-Backbone interact. energy: -1.341
local terms energy: -175.773619
where:
bonds (distance) C4'-P energy: -35.256
bonds (distance) P-C4' energy: -38.448
flat angles C4'-P-C4' energy: -32.385
flat angles P-C4'-P energy: -26.989
tors. eta vs tors. theta energy: -42.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -546.546523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.546523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.546523 (E_RNA)
where:
Base-Base interactions energy: -381.084
where: short stacking energy: -171.772
Base-Backbone interact. energy: 0.271
local terms energy: -165.732945
where:
bonds (distance) C4'-P energy: -29.694
bonds (distance) P-C4' energy: -33.141
flat angles C4'-P-C4' energy: -30.430
flat angles P-C4'-P energy: -24.202
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: 4, replica: 2
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -557.043089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.043089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.043089 (E_RNA)
where:
Base-Base interactions energy: -386.072
where: short stacking energy: -155.732
Base-Backbone interact. energy: -2.470
local terms energy: -168.501463
where:
bonds (distance) C4'-P energy: -28.876
bonds (distance) P-C4' energy: -32.279
flat angles C4'-P-C4' energy: -36.983
flat angles P-C4'-P energy: -30.632
tors. eta vs tors. theta energy: -39.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -550.500571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.500571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.500571 (E_RNA)
where:
Base-Base interactions energy: -373.903
where: short stacking energy: -168.543
Base-Backbone interact. energy: -0.009
local terms energy: -176.589056
where:
bonds (distance) C4'-P energy: -30.281
bonds (distance) P-C4' energy: -36.898
flat angles C4'-P-C4' energy: -30.980
flat angles P-C4'-P energy: -26.834
tors. eta vs tors. theta energy: -51.597
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: 6, replica: 5
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -503.580522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.580522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.580522 (E_RNA)
where:
Base-Base interactions energy: -344.781
where: short stacking energy: -137.263
Base-Backbone interact. energy: -0.511
local terms energy: -158.288441
where:
bonds (distance) C4'-P energy: -36.641
bonds (distance) P-C4' energy: -30.061
flat angles C4'-P-C4' energy: -35.355
flat angles P-C4'-P energy: -20.573
tors. eta vs tors. theta energy: -35.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -396.986689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.986689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.986689 (E_RNA)
where:
Base-Base interactions energy: -258.766
where: short stacking energy: -134.104
Base-Backbone interact. energy: -0.299
local terms energy: -137.921460
where:
bonds (distance) C4'-P energy: -29.637
bonds (distance) P-C4' energy: -30.166
flat angles C4'-P-C4' energy: -30.309
flat angles P-C4'-P energy: -19.323
tors. eta vs tors. theta energy: -28.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -406.634240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.634240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.634240 (E_RNA)
where:
Base-Base interactions energy: -258.857
where: short stacking energy: -117.385
Base-Backbone interact. energy: -0.375
local terms energy: -147.402122
where:
bonds (distance) C4'-P energy: -35.309
bonds (distance) P-C4' energy: -30.869
flat angles C4'-P-C4' energy: -33.860
flat angles P-C4'-P energy: -21.533
tors. eta vs tors. theta energy: -25.831
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: 7
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -340.594655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.594655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.594655 (E_RNA)
where:
Base-Base interactions energy: -221.399
where: short stacking energy: -96.116
Base-Backbone interact. energy: -1.836
local terms energy: -117.359469
where:
bonds (distance) C4'-P energy: -24.088
bonds (distance) P-C4' energy: -29.516
flat angles C4'-P-C4' energy: -32.134
flat angles P-C4'-P energy: -24.842
tors. eta vs tors. theta energy: -6.779
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: 3
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -198.715012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.715012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.715012 (E_RNA)
where:
Base-Base interactions energy: -106.267
where: short stacking energy: -60.553
Base-Backbone interact. energy: -0.455
local terms energy: -91.993463
where:
bonds (distance) C4'-P energy: -21.317
bonds (distance) P-C4' energy: -31.890
flat angles C4'-P-C4' energy: -22.198
flat angles P-C4'-P energy: -16.510
tors. eta vs tors. theta energy: -0.079
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: 1
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -595.275226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.275226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.275226 (E_RNA)
where:
Base-Base interactions energy: -407.062
where: short stacking energy: -156.467
Base-Backbone interact. energy: -1.554
local terms energy: -186.658879
where:
bonds (distance) C4'-P energy: -31.081
bonds (distance) P-C4' energy: -39.723
flat angles C4'-P-C4' energy: -39.262
flat angles P-C4'-P energy: -31.508
tors. eta vs tors. theta energy: -45.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -599.086422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.086422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.086422 (E_RNA)
where:
Base-Base interactions energy: -408.325
where: short stacking energy: -191.260
Base-Backbone interact. energy: -0.649
local terms energy: -190.112185
where:
bonds (distance) C4'-P energy: -33.289
bonds (distance) P-C4' energy: -35.664
flat angles C4'-P-C4' energy: -38.603
flat angles P-C4'-P energy: -33.150
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: 3, replica: 2
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -571.296270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.296270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.296270 (E_RNA)
where:
Base-Base interactions energy: -404.383
where: short stacking energy: -169.413
Base-Backbone interact. energy: -1.307
local terms energy: -165.606528
where:
bonds (distance) C4'-P energy: -32.891
bonds (distance) P-C4' energy: -33.053
flat angles C4'-P-C4' energy: -32.076
flat angles P-C4'-P energy: -24.910
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: 4, replica: 8
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -517.191364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.191364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.191364 (E_RNA)
where:
Base-Base interactions energy: -357.769
where: short stacking energy: -149.085
Base-Backbone interact. energy: -0.275
local terms energy: -159.146600
where:
bonds (distance) C4'-P energy: -31.306
bonds (distance) P-C4' energy: -34.019
flat angles C4'-P-C4' energy: -35.326
flat angles P-C4'-P energy: -19.395
tors. eta vs tors. theta energy: -39.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -526.022640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.022640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.022640 (E_RNA)
where:
Base-Base interactions energy: -354.628
where: short stacking energy: -155.570
Base-Backbone interact. energy: -0.059
local terms energy: -171.336346
where:
bonds (distance) C4'-P energy: -39.330
bonds (distance) P-C4' energy: -29.663
flat angles C4'-P-C4' energy: -37.823
flat angles P-C4'-P energy: -16.090
tors. eta vs tors. theta energy: -48.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -509.045109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.045109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.045109 (E_RNA)
where:
Base-Base interactions energy: -348.871
where: short stacking energy: -151.402
Base-Backbone interact. energy: -0.515
local terms energy: -159.658241
where:
bonds (distance) C4'-P energy: -36.303
bonds (distance) P-C4' energy: -25.922
flat angles C4'-P-C4' energy: -34.211
flat angles P-C4'-P energy: -27.434
tors. eta vs tors. theta energy: -35.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -406.363680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.363680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.363680 (E_RNA)
where:
Base-Base interactions energy: -276.367
where: short stacking energy: -111.739
Base-Backbone interact. energy: -0.118
local terms energy: -129.878886
where:
bonds (distance) C4'-P energy: -25.453
bonds (distance) P-C4' energy: -29.578
flat angles C4'-P-C4' energy: -32.796
flat angles P-C4'-P energy: -17.430
tors. eta vs tors. theta energy: -24.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -389.469458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.469458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.469458 (E_RNA)
where:
Base-Base interactions energy: -238.567
where: short stacking energy: -118.293
Base-Backbone interact. energy: 1.394
local terms energy: -152.296746
where:
bonds (distance) C4'-P energy: -28.179
bonds (distance) P-C4' energy: -33.257
flat angles C4'-P-C4' energy: -34.205
flat angles P-C4'-P energy: -24.492
tors. eta vs tors. theta energy: -32.164
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: 7
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -336.820389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.820389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.820389 (E_RNA)
where:
Base-Base interactions energy: -218.522
where: short stacking energy: -106.034
Base-Backbone interact. energy: 0.299
local terms energy: -118.597646
where:
bonds (distance) C4'-P energy: -29.202
bonds (distance) P-C4' energy: -25.042
flat angles C4'-P-C4' energy: -25.221
flat angles P-C4'-P energy: -17.660
tors. eta vs tors. theta energy: -21.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -153.312229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.312229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.312229 (E_RNA)
where:
Base-Base interactions energy: -64.665
where: short stacking energy: -46.010
Base-Backbone interact. energy: 0.206
local terms energy: -88.853158
where:
bonds (distance) C4'-P energy: -22.541
bonds (distance) P-C4' energy: -30.223
flat angles C4'-P-C4' energy: -27.993
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: 0.871
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: 1
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -605.436590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.436590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.436590 (E_RNA)
where:
Base-Base interactions energy: -415.640
where: short stacking energy: -171.186
Base-Backbone interact. energy: -3.472
local terms energy: -186.325094
where:
bonds (distance) C4'-P energy: -32.287
bonds (distance) P-C4' energy: -39.610
flat angles C4'-P-C4' energy: -39.883
flat angles P-C4'-P energy: -25.535
tors. eta vs tors. theta energy: -49.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -601.993625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.993625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.993625 (E_RNA)
where:
Base-Base interactions energy: -412.988
where: short stacking energy: -180.268
Base-Backbone interact. energy: -0.097
local terms energy: -188.909089
where:
bonds (distance) C4'-P energy: -36.807
bonds (distance) P-C4' energy: -35.908
flat angles C4'-P-C4' energy: -35.661
flat angles P-C4'-P energy: -27.727
tors. eta vs tors. theta energy: -52.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -577.533943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.533943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.533943 (E_RNA)
where:
Base-Base interactions energy: -412.216
where: short stacking energy: -174.022
Base-Backbone interact. energy: -2.479
local terms energy: -162.838992
where:
bonds (distance) C4'-P energy: -30.131
bonds (distance) P-C4' energy: -33.009
flat angles C4'-P-C4' energy: -34.926
flat angles P-C4'-P energy: -20.230
tors. eta vs tors. theta energy: -44.542
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: 4
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -542.206496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.206496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.206496 (E_RNA)
where:
Base-Base interactions energy: -370.644
where: short stacking energy: -158.204
Base-Backbone interact. energy: -1.434
local terms energy: -170.128233
where:
bonds (distance) C4'-P energy: -34.195
bonds (distance) P-C4' energy: -33.942
flat angles C4'-P-C4' energy: -31.504
flat angles P-C4'-P energy: -23.934
tors. eta vs tors. theta energy: -46.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -522.878636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.878636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.878636 (E_RNA)
where:
Base-Base interactions energy: -362.309
where: short stacking energy: -138.915
Base-Backbone interact. energy: 1.080
local terms energy: -161.650428
where:
bonds (distance) C4'-P energy: -25.783
bonds (distance) P-C4' energy: -33.060
flat angles C4'-P-C4' energy: -34.917
flat angles P-C4'-P energy: -26.735
tors. eta vs tors. theta energy: -41.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -496.401978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.401978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.401978 (E_RNA)
where:
Base-Base interactions energy: -348.334
where: short stacking energy: -139.580
Base-Backbone interact. energy: -0.776
local terms energy: -147.291860
where:
bonds (distance) C4'-P energy: -26.508
bonds (distance) P-C4' energy: -23.947
flat angles C4'-P-C4' energy: -36.644
flat angles P-C4'-P energy: -26.739
tors. eta vs tors. theta energy: -33.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -420.556202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.556202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.556202 (E_RNA)
where:
Base-Base interactions energy: -276.965
where: short stacking energy: -120.615
Base-Backbone interact. energy: -0.318
local terms energy: -143.273427
where:
bonds (distance) C4'-P energy: -34.878
bonds (distance) P-C4' energy: -25.542
flat angles C4'-P-C4' energy: -39.780
flat angles P-C4'-P energy: -21.599
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: 8, replica: 7
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -331.620143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.620143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.620143 (E_RNA)
where:
Base-Base interactions energy: -199.260
where: short stacking energy: -100.336
Base-Backbone interact. energy: -0.186
local terms energy: -132.174890
where:
bonds (distance) C4'-P energy: -29.452
bonds (distance) P-C4' energy: -34.861
flat angles C4'-P-C4' energy: -28.395
flat angles P-C4'-P energy: -17.903
tors. eta vs tors. theta energy: -21.565
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: 9, replica: 10
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -331.709893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.709893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.709893 (E_RNA)
where:
Base-Base interactions energy: -224.467
where: short stacking energy: -96.969
Base-Backbone interact. energy: 0.163
local terms energy: -107.405608
where:
bonds (distance) C4'-P energy: -20.840
bonds (distance) P-C4' energy: -32.963
flat angles C4'-P-C4' energy: -24.333
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -17.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -157.039773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.039773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.039773 (E_RNA)
where:
Base-Base interactions energy: -67.614
where: short stacking energy: -55.455
Base-Backbone interact. energy: 1.307
local terms energy: -90.732707
where:
bonds (distance) C4'-P energy: -22.503
bonds (distance) P-C4' energy: -22.727
flat angles C4'-P-C4' energy: -27.150
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -6.700
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: 1
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -589.929428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.929428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.929428 (E_RNA)
where:
Base-Base interactions energy: -407.530
where: short stacking energy: -162.858
Base-Backbone interact. energy: -2.968
local terms energy: -179.431619
where:
bonds (distance) C4'-P energy: -37.180
bonds (distance) P-C4' energy: -31.768
flat angles C4'-P-C4' energy: -36.091
flat angles P-C4'-P energy: -25.289
tors. eta vs tors. theta energy: -49.103
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: 9
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -609.601114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.601114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.601114 (E_RNA)
where:
Base-Base interactions energy: -415.933
where: short stacking energy: -200.907
Base-Backbone interact. energy: 0.092
local terms energy: -193.760684
where:
bonds (distance) C4'-P energy: -36.871
bonds (distance) P-C4' energy: -35.125
flat angles C4'-P-C4' energy: -38.403
flat angles P-C4'-P energy: -27.607
tors. eta vs tors. theta energy: -55.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -555.041149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.041149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.041149 (E_RNA)
where:
Base-Base interactions energy: -374.711
where: short stacking energy: -185.012
Base-Backbone interact. energy: -0.318
local terms energy: -180.012259
where:
bonds (distance) C4'-P energy: -37.382
bonds (distance) P-C4' energy: -31.636
flat angles C4'-P-C4' energy: -34.515
flat angles P-C4'-P energy: -26.095
tors. eta vs tors. theta energy: -50.385
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: 2
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -563.666978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.666978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.666978 (E_RNA)
where:
Base-Base interactions energy: -405.912
where: short stacking energy: -166.475
Base-Backbone interact. energy: -2.289
local terms energy: -155.466063
where:
bonds (distance) C4'-P energy: -27.613
bonds (distance) P-C4' energy: -33.358
flat angles C4'-P-C4' energy: -29.875
flat angles P-C4'-P energy: -18.505
tors. eta vs tors. theta energy: -46.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -509.034613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.034613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.034613 (E_RNA)
where:
Base-Base interactions energy: -338.998
where: short stacking energy: -152.985
Base-Backbone interact. energy: -0.336
local terms energy: -169.699859
where:
bonds (distance) C4'-P energy: -32.549
bonds (distance) P-C4' energy: -38.095
flat angles C4'-P-C4' energy: -36.901
flat angles P-C4'-P energy: -22.468
tors. eta vs tors. theta energy: -39.687
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: 210
Temperature: 1.150000
Total energy: -509.801956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.801956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.801956 (E_RNA)
where:
Base-Base interactions energy: -355.023
where: short stacking energy: -151.077
Base-Backbone interact. energy: -0.846
local terms energy: -153.932380
where:
bonds (distance) C4'-P energy: -18.942
bonds (distance) P-C4' energy: -37.534
flat angles C4'-P-C4' energy: -37.403
flat angles P-C4'-P energy: -17.872
tors. eta vs tors. theta energy: -42.181
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: 6
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -413.624120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.624120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.624120 (E_RNA)
where:
Base-Base interactions energy: -279.059
where: short stacking energy: -127.651
Base-Backbone interact. energy: -0.057
local terms energy: -134.508530
where:
bonds (distance) C4'-P energy: -26.957
bonds (distance) P-C4' energy: -35.642
flat angles C4'-P-C4' energy: -29.394
flat angles P-C4'-P energy: -20.299
tors. eta vs tors. theta energy: -22.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -308.277004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.277004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.277004 (E_RNA)
where:
Base-Base interactions energy: -182.183
where: short stacking energy: -100.339
Base-Backbone interact. energy: -0.159
local terms energy: -125.934838
where:
bonds (distance) C4'-P energy: -27.269
bonds (distance) P-C4' energy: -28.451
flat angles C4'-P-C4' energy: -28.174
flat angles P-C4'-P energy: -16.092
tors. eta vs tors. theta energy: -25.949
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: 9, replica: 10
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -315.360252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.360252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.360252 (E_RNA)
where:
Base-Base interactions energy: -199.050
where: short stacking energy: -99.404
Base-Backbone interact. energy: -0.035
local terms energy: -116.275074
where:
bonds (distance) C4'-P energy: -27.857
bonds (distance) P-C4' energy: -29.510
flat angles C4'-P-C4' energy: -26.118
flat angles P-C4'-P energy: -13.836
tors. eta vs tors. theta energy: -18.954
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: 10, replica: 3
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -165.919740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.919740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.919740 (E_RNA)
where:
Base-Base interactions energy: -67.621
where: short stacking energy: -53.119
Base-Backbone interact. energy: 2.124
local terms energy: -100.422589
where:
bonds (distance) C4'-P energy: -26.503
bonds (distance) P-C4' energy: -26.554
flat angles C4'-P-C4' energy: -24.249
flat angles P-C4'-P energy: -17.185
tors. eta vs tors. theta energy: -5.931
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: 1
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -603.342695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.342695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.342695 (E_RNA)
where:
Base-Base interactions energy: -407.778
where: short stacking energy: -177.649
Base-Backbone interact. energy: -1.036
local terms energy: -194.529256
where:
bonds (distance) C4'-P energy: -40.049
bonds (distance) P-C4' energy: -36.539
flat angles C4'-P-C4' energy: -38.887
flat angles P-C4'-P energy: -30.394
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: 2, replica: 9
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -604.652389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.652389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.652389 (E_RNA)
where:
Base-Base interactions energy: -412.865
where: short stacking energy: -186.760
Base-Backbone interact. energy: -0.006
local terms energy: -191.780635
where:
bonds (distance) C4'-P energy: -37.238
bonds (distance) P-C4' energy: -31.868
flat angles C4'-P-C4' energy: -38.379
flat angles P-C4'-P energy: -27.741
tors. eta vs tors. theta energy: -56.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -549.253273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.253273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.253273 (E_RNA)
where:
Base-Base interactions energy: -376.026
where: short stacking energy: -174.712
Base-Backbone interact. energy: -0.641
local terms energy: -172.585990
where:
bonds (distance) C4'-P energy: -35.008
bonds (distance) P-C4' energy: -29.723
flat angles C4'-P-C4' energy: -36.211
flat angles P-C4'-P energy: -21.681
tors. eta vs tors. theta energy: -49.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -554.469317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.469317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.469317 (E_RNA)
where:
Base-Base interactions energy: -380.164
where: short stacking energy: -160.197
Base-Backbone interact. energy: -0.602
local terms energy: -173.703712
where:
bonds (distance) C4'-P energy: -34.282
bonds (distance) P-C4' energy: -37.574
flat angles C4'-P-C4' energy: -35.030
flat angles P-C4'-P energy: -26.125
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: 211
Temperature: 1.100000
Total energy: -511.119735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.119735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.119735 (E_RNA)
where:
Base-Base interactions energy: -353.347
where: short stacking energy: -151.705
Base-Backbone interact. energy: 0.113
local terms energy: -157.886328
where:
bonds (distance) C4'-P energy: -19.526
bonds (distance) P-C4' energy: -31.318
flat angles C4'-P-C4' energy: -40.013
flat angles P-C4'-P energy: -26.066
tors. eta vs tors. theta energy: -40.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -494.381002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.381002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.381002 (E_RNA)
where:
Base-Base interactions energy: -345.549
where: short stacking energy: -143.424
Base-Backbone interact. energy: -0.271
local terms energy: -148.561703
where:
bonds (distance) C4'-P energy: -34.766
bonds (distance) P-C4' energy: -28.041
flat angles C4'-P-C4' energy: -29.385
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -42.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -411.386654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.386654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.386654 (E_RNA)
where:
Base-Base interactions energy: -279.944
where: short stacking energy: -108.417
Base-Backbone interact. energy: -1.012
local terms energy: -130.430098
where:
bonds (distance) C4'-P energy: -31.368
bonds (distance) P-C4' energy: -24.632
flat angles C4'-P-C4' energy: -23.541
flat angles P-C4'-P energy: -22.833
tors. eta vs tors. theta energy: -28.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -350.531782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.531782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.531782 (E_RNA)
where:
Base-Base interactions energy: -213.601
where: short stacking energy: -107.911
Base-Backbone interact. energy: -0.145
local terms energy: -136.785804
where:
bonds (distance) C4'-P energy: -32.089
bonds (distance) P-C4' energy: -30.282
flat angles C4'-P-C4' energy: -27.346
flat angles P-C4'-P energy: -17.091
tors. eta vs tors. theta energy: -29.977
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: 7
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -308.379645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.379645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.379645 (E_RNA)
where:
Base-Base interactions energy: -208.678
where: short stacking energy: -94.543
Base-Backbone interact. energy: -0.378
local terms energy: -99.323628
where:
bonds (distance) C4'-P energy: -20.082
bonds (distance) P-C4' energy: -27.754
flat angles C4'-P-C4' energy: -26.468
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -12.277
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: 3
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -172.824527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.824527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.824527 (E_RNA)
where:
Base-Base interactions energy: -63.669
where: short stacking energy: -58.572
Base-Backbone interact. energy: -0.521
local terms energy: -108.634680
where:
bonds (distance) C4'-P energy: -23.987
bonds (distance) P-C4' energy: -31.249
flat angles C4'-P-C4' energy: -23.795
flat angles P-C4'-P energy: -24.240
tors. eta vs tors. theta energy: -5.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -606.044178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.044178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.044178 (E_RNA)
where:
Base-Base interactions energy: -415.950
where: short stacking energy: -191.159
Base-Backbone interact. energy: -0.016
local terms energy: -190.078603
where:
bonds (distance) C4'-P energy: -23.932
bonds (distance) P-C4' energy: -40.116
flat angles C4'-P-C4' energy: -40.780
flat angles P-C4'-P energy: -29.017
tors. eta vs tors. theta energy: -56.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -583.658613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.658613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.658613 (E_RNA)
where:
Base-Base interactions energy: -411.766
where: short stacking energy: -168.913
Base-Backbone interact. energy: -1.223
local terms energy: -170.669691
where:
bonds (distance) C4'-P energy: -27.676
bonds (distance) P-C4' energy: -38.128
flat angles C4'-P-C4' energy: -35.581
flat angles P-C4'-P energy: -22.110
tors. eta vs tors. theta energy: -47.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -583.241279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.241279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.241279 (E_RNA)
where:
Base-Base interactions energy: -409.213
where: short stacking energy: -170.435
Base-Backbone interact. energy: -1.253
local terms energy: -172.774527
where:
bonds (distance) C4'-P energy: -37.363
bonds (distance) P-C4' energy: -29.951
flat angles C4'-P-C4' energy: -41.791
flat angles P-C4'-P energy: -24.654
tors. eta vs tors. theta energy: -39.016
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: 4, replica: 4
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -566.146192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.146192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.146192 (E_RNA)
where:
Base-Base interactions energy: -388.522
where: short stacking energy: -177.390
Base-Backbone interact. energy: -0.289
local terms energy: -177.335244
where:
bonds (distance) C4'-P energy: -33.176
bonds (distance) P-C4' energy: -34.635
flat angles C4'-P-C4' energy: -35.915
flat angles P-C4'-P energy: -24.078
tors. eta vs tors. theta energy: -49.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -501.208160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.208160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.208160 (E_RNA)
where:
Base-Base interactions energy: -334.854
where: short stacking energy: -142.052
Base-Backbone interact. energy: -0.374
local terms energy: -165.980438
where:
bonds (distance) C4'-P energy: -26.190
bonds (distance) P-C4' energy: -37.197
flat angles C4'-P-C4' energy: -41.178
flat angles P-C4'-P energy: -21.139
tors. eta vs tors. theta energy: -40.275
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: 5
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -472.569363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.569363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.569363 (E_RNA)
where:
Base-Base interactions energy: -327.309
where: short stacking energy: -126.262
Base-Backbone interact. energy: 0.380
local terms energy: -145.639590
where:
bonds (distance) C4'-P energy: -29.150
bonds (distance) P-C4' energy: -31.797
flat angles C4'-P-C4' energy: -30.265
flat angles P-C4'-P energy: -22.993
tors. eta vs tors. theta energy: -31.435
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: 10
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -347.504413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.504413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.504413 (E_RNA)
where:
Base-Base interactions energy: -218.463
where: short stacking energy: -117.146
Base-Backbone interact. energy: -0.307
local terms energy: -128.734769
where:
bonds (distance) C4'-P energy: -32.007
bonds (distance) P-C4' energy: -25.782
flat angles C4'-P-C4' energy: -27.239
flat angles P-C4'-P energy: -15.243
tors. eta vs tors. theta energy: -28.463
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: 6
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -402.683228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.683228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.683228 (E_RNA)
where:
Base-Base interactions energy: -280.740
where: short stacking energy: -113.869
Base-Backbone interact. energy: -0.027
local terms energy: -121.916728
where:
bonds (distance) C4'-P energy: -30.630
bonds (distance) P-C4' energy: -32.176
flat angles C4'-P-C4' energy: -29.733
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -18.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -340.094703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.094703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.094703 (E_RNA)
where:
Base-Base interactions energy: -219.960
where: short stacking energy: -89.874
Base-Backbone interact. energy: 3.656
local terms energy: -123.789813
where:
bonds (distance) C4'-P energy: -24.748
bonds (distance) P-C4' energy: -35.164
flat angles C4'-P-C4' energy: -29.346
flat angles P-C4'-P energy: -21.800
tors. eta vs tors. theta energy: -12.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -172.584608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.584608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.584608 (E_RNA)
where:
Base-Base interactions energy: -78.285
where: short stacking energy: -52.750
Base-Backbone interact. energy: -0.256
local terms energy: -94.043114
where:
bonds (distance) C4'-P energy: -28.905
bonds (distance) P-C4' energy: -29.265
flat angles C4'-P-C4' energy: -24.287
flat angles P-C4'-P energy: -14.797
tors. eta vs tors. theta energy: 3.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -605.703348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.703348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.703348 (E_RNA)
where:
Base-Base interactions energy: -413.027
where: short stacking energy: -183.747
Base-Backbone interact. energy: 0.062
local terms energy: -192.738256
where:
bonds (distance) C4'-P energy: -37.644
bonds (distance) P-C4' energy: -37.339
flat angles C4'-P-C4' energy: -40.234
flat angles P-C4'-P energy: -26.188
tors. eta vs tors. theta energy: -51.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -595.381546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.381546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.381546 (E_RNA)
where:
Base-Base interactions energy: -421.096
where: short stacking energy: -180.077
Base-Backbone interact. energy: -1.538
local terms energy: -172.747241
where:
bonds (distance) C4'-P energy: -32.159
bonds (distance) P-C4' energy: -27.747
flat angles C4'-P-C4' energy: -41.285
flat angles P-C4'-P energy: -23.246
tors. eta vs tors. theta energy: -48.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -575.295656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.295656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.295656 (E_RNA)
where:
Base-Base interactions energy: -405.217
where: short stacking energy: -165.811
Base-Backbone interact. energy: -1.116
local terms energy: -168.962189
where:
bonds (distance) C4'-P energy: -32.920
bonds (distance) P-C4' energy: -34.403
flat angles C4'-P-C4' energy: -33.799
flat angles P-C4'-P energy: -25.647
tors. eta vs tors. theta energy: -42.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -548.688879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.688879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.688879 (E_RNA)
where:
Base-Base interactions energy: -378.371
where: short stacking energy: -163.497
Base-Backbone interact. energy: -0.557
local terms energy: -169.760643
where:
bonds (distance) C4'-P energy: -33.306
bonds (distance) P-C4' energy: -25.872
flat angles C4'-P-C4' energy: -35.861
flat angles P-C4'-P energy: -28.110
tors. eta vs tors. theta energy: -46.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -525.348962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.348962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.348962 (E_RNA)
where:
Base-Base interactions energy: -379.055
where: short stacking energy: -153.232
Base-Backbone interact. energy: -0.062
local terms energy: -146.231667
where:
bonds (distance) C4'-P energy: -26.280
bonds (distance) P-C4' energy: -19.618
flat angles C4'-P-C4' energy: -36.411
flat angles P-C4'-P energy: -22.189
tors. eta vs tors. theta energy: -41.734
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: 6, replica: 5
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -488.233407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.233407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.233407 (E_RNA)
where:
Base-Base interactions energy: -356.772
where: short stacking energy: -148.626
Base-Backbone interact. energy: -0.180
local terms energy: -131.280938
where:
bonds (distance) C4'-P energy: -18.163
bonds (distance) P-C4' energy: -28.034
flat angles C4'-P-C4' energy: -35.492
flat angles P-C4'-P energy: -7.532
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: 7, replica: 10
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -365.870656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.870656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.870656 (E_RNA)
where:
Base-Base interactions energy: -233.293
where: short stacking energy: -114.795
Base-Backbone interact. energy: -0.657
local terms energy: -131.920311
where:
bonds (distance) C4'-P energy: -29.162
bonds (distance) P-C4' energy: -22.196
flat angles C4'-P-C4' energy: -26.999
flat angles P-C4'-P energy: -28.815
tors. eta vs tors. theta energy: -24.749
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: 6
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -412.248287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.248287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.248287 (E_RNA)
where:
Base-Base interactions energy: -273.724
where: short stacking energy: -121.486
Base-Backbone interact. energy: -0.631
local terms energy: -137.893409
where:
bonds (distance) C4'-P energy: -24.315
bonds (distance) P-C4' energy: -33.735
flat angles C4'-P-C4' energy: -25.648
flat angles P-C4'-P energy: -26.236
tors. eta vs tors. theta energy: -27.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -318.835151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.835151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.835151 (E_RNA)
where:
Base-Base interactions energy: -200.638
where: short stacking energy: -91.886
Base-Backbone interact. energy: -0.599
local terms energy: -117.598021
where:
bonds (distance) C4'-P energy: -24.756
bonds (distance) P-C4' energy: -30.537
flat angles C4'-P-C4' energy: -31.126
flat angles P-C4'-P energy: -20.743
tors. eta vs tors. theta energy: -10.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -163.750657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.750657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.750657 (E_RNA)
where:
Base-Base interactions energy: -66.215
where: short stacking energy: -53.205
Base-Backbone interact. energy: -0.794
local terms energy: -96.741928
where:
bonds (distance) C4'-P energy: -27.810
bonds (distance) P-C4' energy: -29.517
flat angles C4'-P-C4' energy: -22.315
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -4.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -609.715247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.715247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.715247 (E_RNA)
where:
Base-Base interactions energy: -436.741
where: short stacking energy: -179.350
Base-Backbone interact. energy: 0.350
local terms energy: -173.324444
where:
bonds (distance) C4'-P energy: -31.110
bonds (distance) P-C4' energy: -33.531
flat angles C4'-P-C4' energy: -38.858
flat angles P-C4'-P energy: -22.232
tors. eta vs tors. theta energy: -47.593
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: 2, replica: 9
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -607.972142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.972142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.972142 (E_RNA)
where:
Base-Base interactions energy: -420.619
where: short stacking energy: -193.252
Base-Backbone interact. energy: -0.407
local terms energy: -186.946220
where:
bonds (distance) C4'-P energy: -22.481
bonds (distance) P-C4' energy: -38.088
flat angles C4'-P-C4' energy: -39.380
flat angles P-C4'-P energy: -29.469
tors. eta vs tors. theta energy: -57.529
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: 3, replica: 1
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -572.427739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.427739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.427739 (E_RNA)
where:
Base-Base interactions energy: -396.696
where: short stacking energy: -152.455
Base-Backbone interact. energy: -0.355
local terms energy: -175.376139
where:
bonds (distance) C4'-P energy: -35.202
bonds (distance) P-C4' energy: -31.498
flat angles C4'-P-C4' energy: -40.249
flat angles P-C4'-P energy: -26.748
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: 4, replica: 4
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -543.762525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.762525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.762525 (E_RNA)
where:
Base-Base interactions energy: -356.663
where: short stacking energy: -155.959
Base-Backbone interact. energy: -0.911
local terms energy: -186.188788
where:
bonds (distance) C4'-P energy: -35.062
bonds (distance) P-C4' energy: -34.853
flat angles C4'-P-C4' energy: -39.693
flat angles P-C4'-P energy: -29.099
tors. eta vs tors. theta energy: -47.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -517.623672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.623672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.623672 (E_RNA)
where:
Base-Base interactions energy: -360.080
where: short stacking energy: -143.901
Base-Backbone interact. energy: -0.205
local terms energy: -157.338993
where:
bonds (distance) C4'-P energy: -34.932
bonds (distance) P-C4' energy: -32.925
flat angles C4'-P-C4' energy: -33.311
flat angles P-C4'-P energy: -24.144
tors. eta vs tors. theta energy: -32.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -487.782119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.782119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.782119 (E_RNA)
where:
Base-Base interactions energy: -320.355
where: short stacking energy: -138.687
Base-Backbone interact. energy: -0.074
local terms energy: -167.353098
where:
bonds (distance) C4'-P energy: -29.760
bonds (distance) P-C4' energy: -38.811
flat angles C4'-P-C4' energy: -33.953
flat angles P-C4'-P energy: -27.859
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: 6
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -415.078994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.078994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.078994 (E_RNA)
where:
Base-Base interactions energy: -283.669
where: short stacking energy: -123.853
Base-Backbone interact. energy: -0.327
local terms energy: -131.082147
where:
bonds (distance) C4'-P energy: -23.583
bonds (distance) P-C4' energy: -29.455
flat angles C4'-P-C4' energy: -27.909
flat angles P-C4'-P energy: -21.856
tors. eta vs tors. theta energy: -28.279
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: 8, replica: 10
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -362.961107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.961107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.961107 (E_RNA)
where:
Base-Base interactions energy: -235.232
where: short stacking energy: -112.998
Base-Backbone interact. energy: -0.587
local terms energy: -127.142386
where:
bonds (distance) C4'-P energy: -19.361
bonds (distance) P-C4' energy: -31.451
flat angles C4'-P-C4' energy: -34.634
flat angles P-C4'-P energy: -24.786
tors. eta vs tors. theta energy: -16.911
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: 9, replica: 7
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -316.621136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.621136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.621136 (E_RNA)
where:
Base-Base interactions energy: -211.123
where: short stacking energy: -103.772
Base-Backbone interact. energy: -1.422
local terms energy: -104.076383
where:
bonds (distance) C4'-P energy: -24.013
bonds (distance) P-C4' energy: -20.723
flat angles C4'-P-C4' energy: -24.720
flat angles P-C4'-P energy: -14.674
tors. eta vs tors. theta energy: -19.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -154.687948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.687948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.687948 (E_RNA)
where:
Base-Base interactions energy: -55.844
where: short stacking energy: -45.594
Base-Backbone interact. energy: -0.887
local terms energy: -97.956468
where:
bonds (distance) C4'-P energy: -29.269
bonds (distance) P-C4' energy: -30.179
flat angles C4'-P-C4' energy: -26.899
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -1.070
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: 2
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -605.285208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.285208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.285208 (E_RNA)
where:
Base-Base interactions energy: -415.107
where: short stacking energy: -180.484
Base-Backbone interact. energy: -1.595
local terms energy: -188.583979
where:
bonds (distance) C4'-P energy: -36.865
bonds (distance) P-C4' energy: -35.773
flat angles C4'-P-C4' energy: -40.491
flat angles P-C4'-P energy: -23.285
tors. eta vs tors. theta energy: -52.170
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: 1
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -570.941089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.941089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.941089 (E_RNA)
where:
Base-Base interactions energy: -390.214
where: short stacking energy: -155.314
Base-Backbone interact. energy: -1.205
local terms energy: -179.521771
where:
bonds (distance) C4'-P energy: -36.903
bonds (distance) P-C4' energy: -36.052
flat angles C4'-P-C4' energy: -35.829
flat angles P-C4'-P energy: -27.021
tors. eta vs tors. theta energy: -43.716
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: 9
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -593.321885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.321885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.321885 (E_RNA)
where:
Base-Base interactions energy: -411.561
where: short stacking energy: -184.132
Base-Backbone interact. energy: -0.017
local terms energy: -181.744199
where:
bonds (distance) C4'-P energy: -30.299
bonds (distance) P-C4' energy: -32.561
flat angles C4'-P-C4' energy: -38.362
flat angles P-C4'-P energy: -25.762
tors. eta vs tors. theta energy: -54.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -561.617857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.617857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.617857 (E_RNA)
where:
Base-Base interactions energy: -393.960
where: short stacking energy: -181.684
Base-Backbone interact. energy: -0.255
local terms energy: -167.402744
where:
bonds (distance) C4'-P energy: -28.263
bonds (distance) P-C4' energy: -31.732
flat angles C4'-P-C4' energy: -35.671
flat angles P-C4'-P energy: -22.924
tors. eta vs tors. theta energy: -48.812
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: 5
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -511.219507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.219507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.219507 (E_RNA)
where:
Base-Base interactions energy: -356.362
where: short stacking energy: -146.245
Base-Backbone interact. energy: -0.607
local terms energy: -154.250402
where:
bonds (distance) C4'-P energy: -32.763
bonds (distance) P-C4' energy: -32.673
flat angles C4'-P-C4' energy: -32.163
flat angles P-C4'-P energy: -17.138
tors. eta vs tors. theta energy: -39.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -483.420406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.420406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.420406 (E_RNA)
where:
Base-Base interactions energy: -335.547
where: short stacking energy: -139.497
Base-Backbone interact. energy: -1.049
local terms energy: -146.823844
where:
bonds (distance) C4'-P energy: -30.088
bonds (distance) P-C4' energy: -27.743
flat angles C4'-P-C4' energy: -34.407
flat angles P-C4'-P energy: -24.388
tors. eta vs tors. theta energy: -30.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -396.090272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.090272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.090272 (E_RNA)
where:
Base-Base interactions energy: -265.354
where: short stacking energy: -110.222
Base-Backbone interact. energy: 1.336
local terms energy: -132.072373
where:
bonds (distance) C4'-P energy: -23.819
bonds (distance) P-C4' energy: -29.385
flat angles C4'-P-C4' energy: -31.499
flat angles P-C4'-P energy: -27.578
tors. eta vs tors. theta energy: -19.792
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: 10
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -346.486100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.486100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.486100 (E_RNA)
where:
Base-Base interactions energy: -215.496
where: short stacking energy: -115.745
Base-Backbone interact. energy: -0.355
local terms energy: -130.635019
where:
bonds (distance) C4'-P energy: -28.392
bonds (distance) P-C4' energy: -33.740
flat angles C4'-P-C4' energy: -26.884
flat angles P-C4'-P energy: -19.914
tors. eta vs tors. theta energy: -21.704
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: 7
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -343.940298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.940298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.940298 (E_RNA)
where:
Base-Base interactions energy: -224.639
where: short stacking energy: -99.636
Base-Backbone interact. energy: -1.487
local terms energy: -117.814155
where:
bonds (distance) C4'-P energy: -29.319
bonds (distance) P-C4' energy: -30.126
flat angles C4'-P-C4' energy: -27.172
flat angles P-C4'-P energy: -16.934
tors. eta vs tors. theta energy: -14.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -159.417472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.417472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.417472 (E_RNA)
where:
Base-Base interactions energy: -61.334
where: short stacking energy: -51.091
Base-Backbone interact. energy: 2.511
local terms energy: -100.594662
where:
bonds (distance) C4'-P energy: -21.907
bonds (distance) P-C4' energy: -26.478
flat angles C4'-P-C4' energy: -30.640
flat angles P-C4'-P energy: -22.380
tors. eta vs tors. theta energy: 0.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -621.017268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.017268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.017268 (E_RNA)
where:
Base-Base interactions energy: -419.636
where: short stacking energy: -186.599
Base-Backbone interact. energy: -1.854
local terms energy: -199.527234
where:
bonds (distance) C4'-P energy: -30.688
bonds (distance) P-C4' energy: -40.285
flat angles C4'-P-C4' energy: -43.042
flat angles P-C4'-P energy: -30.919
tors. eta vs tors. theta energy: -54.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -585.000649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.000649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.000649 (E_RNA)
where:
Base-Base interactions energy: -403.514
where: short stacking energy: -171.468
Base-Backbone interact. energy: -2.549
local terms energy: -178.937378
where:
bonds (distance) C4'-P energy: -37.530
bonds (distance) P-C4' energy: -34.508
flat angles C4'-P-C4' energy: -34.078
flat angles P-C4'-P energy: -25.072
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: 3, replica: 9
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -594.895530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.895530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.895530 (E_RNA)
where:
Base-Base interactions energy: -411.678
where: short stacking energy: -186.481
Base-Backbone interact. energy: -0.050
local terms energy: -183.167670
where:
bonds (distance) C4'-P energy: -26.309
bonds (distance) P-C4' energy: -33.683
flat angles C4'-P-C4' energy: -41.105
flat angles P-C4'-P energy: -29.317
tors. eta vs tors. theta energy: -52.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -549.762317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.762317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.762317 (E_RNA)
where:
Base-Base interactions energy: -381.230
where: short stacking energy: -168.385
Base-Backbone interact. energy: 0.186
local terms energy: -168.718170
where:
bonds (distance) C4'-P energy: -34.489
bonds (distance) P-C4' energy: -22.867
flat angles C4'-P-C4' energy: -36.102
flat angles P-C4'-P energy: -27.722
tors. eta vs tors. theta energy: -47.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -516.915771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.915771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.915771 (E_RNA)
where:
Base-Base interactions energy: -362.101
where: short stacking energy: -150.476
Base-Backbone interact. energy: -0.632
local terms energy: -154.181997
where:
bonds (distance) C4'-P energy: -26.684
bonds (distance) P-C4' energy: -33.459
flat angles C4'-P-C4' energy: -27.509
flat angles P-C4'-P energy: -26.345
tors. eta vs tors. theta energy: -40.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -464.389279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.389279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.389279 (E_RNA)
where:
Base-Base interactions energy: -317.549
where: short stacking energy: -127.231
Base-Backbone interact. energy: -0.572
local terms energy: -146.268984
where:
bonds (distance) C4'-P energy: -26.589
bonds (distance) P-C4' energy: -30.678
flat angles C4'-P-C4' energy: -31.667
flat angles P-C4'-P energy: -22.508
tors. eta vs tors. theta energy: -34.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -406.551936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.551936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.551936 (E_RNA)
where:
Base-Base interactions energy: -264.851
where: short stacking energy: -118.960
Base-Backbone interact. energy: -0.771
local terms energy: -140.930389
where:
bonds (distance) C4'-P energy: -37.730
bonds (distance) P-C4' energy: -24.548
flat angles C4'-P-C4' energy: -31.470
flat angles P-C4'-P energy: -17.289
tors. eta vs tors. theta energy: -29.892
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: 216
Temperature: 1.250000
Total energy: -341.594772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.594772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.594772 (E_RNA)
where:
Base-Base interactions energy: -220.597
where: short stacking energy: -105.794
Base-Backbone interact. energy: -0.550
local terms energy: -120.448014
where:
bonds (distance) C4'-P energy: -19.638
bonds (distance) P-C4' energy: -31.525
flat angles C4'-P-C4' energy: -28.383
flat angles P-C4'-P energy: -20.144
tors. eta vs tors. theta energy: -20.759
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: 9, replica: 7
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -333.916458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.916458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.916458 (E_RNA)
where:
Base-Base interactions energy: -222.486
where: short stacking energy: -93.198
Base-Backbone interact. energy: 0.565
local terms energy: -111.996372
where:
bonds (distance) C4'-P energy: -24.354
bonds (distance) P-C4' energy: -30.595
flat angles C4'-P-C4' energy: -25.411
flat angles P-C4'-P energy: -18.350
tors. eta vs tors. theta energy: -13.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -152.537583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.537583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.537583 (E_RNA)
where:
Base-Base interactions energy: -71.773
where: short stacking energy: -55.322
Base-Backbone interact. energy: -0.969
local terms energy: -79.795715
where:
bonds (distance) C4'-P energy: -20.321
bonds (distance) P-C4' energy: -24.160
flat angles C4'-P-C4' energy: -23.015
flat angles P-C4'-P energy: -17.250
tors. eta vs tors. theta energy: 4.949
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: 217
Temperature: 0.900000
Total energy: -610.794729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.794729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.794729 (E_RNA)
where:
Base-Base interactions energy: -424.036
where: short stacking energy: -177.515
Base-Backbone interact. energy: -1.065
local terms energy: -185.694053
where:
bonds (distance) C4'-P energy: -35.689
bonds (distance) P-C4' energy: -35.979
flat angles C4'-P-C4' energy: -36.253
flat angles P-C4'-P energy: -29.780
tors. eta vs tors. theta energy: -47.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -597.986837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.986837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.986837 (E_RNA)
where:
Base-Base interactions energy: -409.621
where: short stacking energy: -187.563
Base-Backbone interact. energy: -0.016
local terms energy: -188.349635
where:
bonds (distance) C4'-P energy: -33.703
bonds (distance) P-C4' energy: -35.973
flat angles C4'-P-C4' energy: -36.508
flat angles P-C4'-P energy: -24.440
tors. eta vs tors. theta energy: -57.726
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: 1
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -570.987912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.987912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.987912 (E_RNA)
where:
Base-Base interactions energy: -406.285
where: short stacking energy: -157.124
Base-Backbone interact. energy: -1.286
local terms energy: -163.417300
where:
bonds (distance) C4'-P energy: -24.691
bonds (distance) P-C4' energy: -31.488
flat angles C4'-P-C4' energy: -33.713
flat angles P-C4'-P energy: -26.934
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: 4, replica: 5
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -548.907775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.907775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.907775 (E_RNA)
where:
Base-Base interactions energy: -384.555
where: short stacking energy: -153.634
Base-Backbone interact. energy: -1.488
local terms energy: -162.865225
where:
bonds (distance) C4'-P energy: -30.011
bonds (distance) P-C4' energy: -31.921
flat angles C4'-P-C4' energy: -35.634
flat angles P-C4'-P energy: -22.671
tors. eta vs tors. theta energy: -42.628
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: 5, replica: 4
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -543.286914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.286914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.286914 (E_RNA)
where:
Base-Base interactions energy: -375.080
where: short stacking energy: -157.858
Base-Backbone interact. energy: -0.016
local terms energy: -168.190825
where:
bonds (distance) C4'-P energy: -31.040
bonds (distance) P-C4' energy: -29.281
flat angles C4'-P-C4' energy: -33.883
flat angles P-C4'-P energy: -26.356
tors. eta vs tors. theta energy: -47.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -482.800827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.800827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.800827 (E_RNA)
where:
Base-Base interactions energy: -329.240
where: short stacking energy: -141.569
Base-Backbone interact. energy: -1.472
local terms energy: -152.088503
where:
bonds (distance) C4'-P energy: -25.688
bonds (distance) P-C4' energy: -38.347
flat angles C4'-P-C4' energy: -34.647
flat angles P-C4'-P energy: -18.434
tors. eta vs tors. theta energy: -34.972
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: 6
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -411.777091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.777091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.777091 (E_RNA)
where:
Base-Base interactions energy: -277.673
where: short stacking energy: -107.089
Base-Backbone interact. energy: -1.243
local terms energy: -132.860999
where:
bonds (distance) C4'-P energy: -33.753
bonds (distance) P-C4' energy: -26.659
flat angles C4'-P-C4' energy: -27.619
flat angles P-C4'-P energy: -17.733
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: 8, replica: 10
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -322.776740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.776740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.776740 (E_RNA)
where:
Base-Base interactions energy: -213.341
where: short stacking energy: -105.647
Base-Backbone interact. energy: -0.083
local terms energy: -109.352118
where:
bonds (distance) C4'-P energy: -19.682
bonds (distance) P-C4' energy: -25.492
flat angles C4'-P-C4' energy: -28.360
flat angles P-C4'-P energy: -22.329
tors. eta vs tors. theta energy: -13.489
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: 7
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -312.072725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.072725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.072725 (E_RNA)
where:
Base-Base interactions energy: -194.284
where: short stacking energy: -96.882
Base-Backbone interact. energy: -1.659
local terms energy: -116.130118
where:
bonds (distance) C4'-P energy: -26.404
bonds (distance) P-C4' energy: -21.311
flat angles C4'-P-C4' energy: -36.566
flat angles P-C4'-P energy: -18.871
tors. eta vs tors. theta energy: -12.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -169.847997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.847997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.847997 (E_RNA)
where:
Base-Base interactions energy: -63.398
where: short stacking energy: -61.586
Base-Backbone interact. energy: 1.390
local terms energy: -107.840078
where:
bonds (distance) C4'-P energy: -20.057
bonds (distance) P-C4' energy: -37.320
flat angles C4'-P-C4' energy: -27.551
flat angles P-C4'-P energy: -19.175
tors. eta vs tors. theta energy: -3.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -609.078928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.078928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.078928 (E_RNA)
where:
Base-Base interactions energy: -424.525
where: short stacking energy: -176.672
Base-Backbone interact. energy: -0.505
local terms energy: -184.048974
where:
bonds (distance) C4'-P energy: -34.031
bonds (distance) P-C4' energy: -34.399
flat angles C4'-P-C4' energy: -40.773
flat angles P-C4'-P energy: -29.404
tors. eta vs tors. theta energy: -45.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -605.532129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.532129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.532129 (E_RNA)
where:
Base-Base interactions energy: -411.060
where: short stacking energy: -191.145
Base-Backbone interact. energy: -0.632
local terms energy: -193.839309
where:
bonds (distance) C4'-P energy: -33.768
bonds (distance) P-C4' energy: -35.710
flat angles C4'-P-C4' energy: -39.177
flat angles P-C4'-P energy: -25.805
tors. eta vs tors. theta energy: -59.379
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: 3, replica: 1
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -570.836021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.836021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.836021 (E_RNA)
where:
Base-Base interactions energy: -391.172
where: short stacking energy: -163.914
Base-Backbone interact. energy: -1.105
local terms energy: -178.559971
where:
bonds (distance) C4'-P energy: -32.234
bonds (distance) P-C4' energy: -35.811
flat angles C4'-P-C4' energy: -37.012
flat angles P-C4'-P energy: -26.082
tors. eta vs tors. theta energy: -47.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -517.694041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.694041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.694041 (E_RNA)
where:
Base-Base interactions energy: -358.004
where: short stacking energy: -150.078
Base-Backbone interact. energy: -0.649
local terms energy: -159.040852
where:
bonds (distance) C4'-P energy: -21.643
bonds (distance) P-C4' energy: -40.567
flat angles C4'-P-C4' energy: -32.597
flat angles P-C4'-P energy: -21.313
tors. eta vs tors. theta energy: -42.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -532.358477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.358477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.358477 (E_RNA)
where:
Base-Base interactions energy: -352.845
where: short stacking energy: -163.618
Base-Backbone interact. energy: 0.550
local terms energy: -180.063441
where:
bonds (distance) C4'-P energy: -31.400
bonds (distance) P-C4' energy: -31.516
flat angles C4'-P-C4' energy: -36.939
flat angles P-C4'-P energy: -28.300
tors. eta vs tors. theta energy: -51.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -460.966212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.966212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.966212 (E_RNA)
where:
Base-Base interactions energy: -324.456
where: short stacking energy: -131.903
Base-Backbone interact. energy: -0.994
local terms energy: -135.516110
where:
bonds (distance) C4'-P energy: -30.050
bonds (distance) P-C4' energy: -31.804
flat angles C4'-P-C4' energy: -24.180
flat angles P-C4'-P energy: -17.520
tors. eta vs tors. theta energy: -31.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -402.931306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.931306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.931306 (E_RNA)
where:
Base-Base interactions energy: -276.343
where: short stacking energy: -115.226
Base-Backbone interact. energy: -0.426
local terms energy: -126.162548
where:
bonds (distance) C4'-P energy: -32.139
bonds (distance) P-C4' energy: -30.322
flat angles C4'-P-C4' energy: -32.522
flat angles P-C4'-P energy: -17.023
tors. eta vs tors. theta energy: -14.156
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: 218
Temperature: 1.250000
Total energy: -355.280326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.280326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.280326 (E_RNA)
where:
Base-Base interactions energy: -227.377
where: short stacking energy: -107.706
Base-Backbone interact. energy: -0.922
local terms energy: -126.981038
where:
bonds (distance) C4'-P energy: -30.871
bonds (distance) P-C4' energy: -21.696
flat angles C4'-P-C4' energy: -35.956
flat angles P-C4'-P energy: -22.333
tors. eta vs tors. theta energy: -16.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -314.037715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.037715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.037715 (E_RNA)
where:
Base-Base interactions energy: -183.236
where: short stacking energy: -92.993
Base-Backbone interact. energy: 1.554
local terms energy: -132.355858
where:
bonds (distance) C4'-P energy: -33.641
bonds (distance) P-C4' energy: -34.348
flat angles C4'-P-C4' energy: -25.694
flat angles P-C4'-P energy: -26.064
tors. eta vs tors. theta energy: -12.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -167.567889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.567889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.567889 (E_RNA)
where:
Base-Base interactions energy: -61.403
where: short stacking energy: -58.719
Base-Backbone interact. energy: -1.058
local terms energy: -105.107720
where:
bonds (distance) C4'-P energy: -26.164
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -28.984
flat angles P-C4'-P energy: -22.475
tors. eta vs tors. theta energy: -10.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -619.832534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.832534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.832534 (E_RNA)
where:
Base-Base interactions energy: -430.765
where: short stacking energy: -178.370
Base-Backbone interact. energy: -1.460
local terms energy: -187.607265
where:
bonds (distance) C4'-P energy: -34.182
bonds (distance) P-C4' energy: -34.998
flat angles C4'-P-C4' energy: -39.067
flat angles P-C4'-P energy: -31.147
tors. eta vs tors. theta energy: -48.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -603.322347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.322347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.322347 (E_RNA)
where:
Base-Base interactions energy: -415.860
where: short stacking energy: -186.151
Base-Backbone interact. energy: -0.173
local terms energy: -187.289568
where:
bonds (distance) C4'-P energy: -28.863
bonds (distance) P-C4' energy: -36.038
flat angles C4'-P-C4' energy: -42.338
flat angles P-C4'-P energy: -27.828
tors. eta vs tors. theta energy: -52.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -569.278147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.278147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.278147 (E_RNA)
where:
Base-Base interactions energy: -396.206
where: short stacking energy: -168.694
Base-Backbone interact. energy: -0.093
local terms energy: -172.978452
where:
bonds (distance) C4'-P energy: -28.474
bonds (distance) P-C4' energy: -37.957
flat angles C4'-P-C4' energy: -42.208
flat angles P-C4'-P energy: -24.725
tors. eta vs tors. theta energy: -39.614
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: 4
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -520.525052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.525052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.525052 (E_RNA)
where:
Base-Base interactions energy: -360.171
where: short stacking energy: -165.310
Base-Backbone interact. energy: 0.648
local terms energy: -161.002014
where:
bonds (distance) C4'-P energy: -26.966
bonds (distance) P-C4' energy: -31.447
flat angles C4'-P-C4' energy: -37.187
flat angles P-C4'-P energy: -23.538
tors. eta vs tors. theta energy: -41.864
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: 5
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -526.561518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.561518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.561518 (E_RNA)
where:
Base-Base interactions energy: -351.545
where: short stacking energy: -149.283
Base-Backbone interact. energy: -0.718
local terms energy: -174.298521
where:
bonds (distance) C4'-P energy: -29.909
bonds (distance) P-C4' energy: -39.909
flat angles C4'-P-C4' energy: -35.210
flat angles P-C4'-P energy: -25.181
tors. eta vs tors. theta energy: -44.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -440.559218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.559218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.559218 (E_RNA)
where:
Base-Base interactions energy: -312.020
where: short stacking energy: -129.384
Base-Backbone interact. energy: -0.015
local terms energy: -128.524430
where:
bonds (distance) C4'-P energy: -28.029
bonds (distance) P-C4' energy: -25.739
flat angles C4'-P-C4' energy: -25.692
flat angles P-C4'-P energy: -16.704
tors. eta vs tors. theta energy: -32.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -407.405620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.405620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.405620 (E_RNA)
where:
Base-Base interactions energy: -264.939
where: short stacking energy: -124.266
Base-Backbone interact. energy: -0.574
local terms energy: -141.893072
where:
bonds (distance) C4'-P energy: -37.921
bonds (distance) P-C4' energy: -29.177
flat angles C4'-P-C4' energy: -32.372
flat angles P-C4'-P energy: -18.789
tors. eta vs tors. theta energy: -23.635
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: 10
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -369.642557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.642557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.642557 (E_RNA)
where:
Base-Base interactions energy: -244.259
where: short stacking energy: -116.792
Base-Backbone interact. energy: -0.666
local terms energy: -124.717424
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -35.389
flat angles C4'-P-C4' energy: -35.089
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -26.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -351.334827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.334827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.334827 (E_RNA)
where:
Base-Base interactions energy: -228.889
where: short stacking energy: -117.454
Base-Backbone interact. energy: -0.286
local terms energy: -122.158892
where:
bonds (distance) C4'-P energy: -20.599
bonds (distance) P-C4' energy: -27.900
flat angles C4'-P-C4' energy: -31.938
flat angles P-C4'-P energy: -14.404
tors. eta vs tors. theta energy: -27.318
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: 3
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -162.550139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.550139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.550139 (E_RNA)
where:
Base-Base interactions energy: -64.297
where: short stacking energy: -49.242
Base-Backbone interact. energy: -1.382
local terms energy: -96.871186
where:
bonds (distance) C4'-P energy: -32.693
bonds (distance) P-C4' energy: -25.745
flat angles C4'-P-C4' energy: -32.542
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: 2.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -612.734261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.734261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.734261 (E_RNA)
where:
Base-Base interactions energy: -423.984
where: short stacking energy: -172.675
Base-Backbone interact. energy: -1.875
local terms energy: -186.876094
where:
bonds (distance) C4'-P energy: -32.615
bonds (distance) P-C4' energy: -41.788
flat angles C4'-P-C4' energy: -36.328
flat angles P-C4'-P energy: -30.655
tors. eta vs tors. theta energy: -45.490
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: 9
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -601.016267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.016267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.016267 (E_RNA)
where:
Base-Base interactions energy: -404.879
where: short stacking energy: -181.623
Base-Backbone interact. energy: -1.235
local terms energy: -194.902242
where:
bonds (distance) C4'-P energy: -37.752
bonds (distance) P-C4' energy: -38.231
flat angles C4'-P-C4' energy: -40.579
flat angles P-C4'-P energy: -25.418
tors. eta vs tors. theta energy: -52.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -574.270874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.270874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.270874 (E_RNA)
where:
Base-Base interactions energy: -403.814
where: short stacking energy: -167.279
Base-Backbone interact. energy: -0.446
local terms energy: -170.011265
where:
bonds (distance) C4'-P energy: -32.489
bonds (distance) P-C4' energy: -32.742
flat angles C4'-P-C4' energy: -35.777
flat angles P-C4'-P energy: -21.477
tors. eta vs tors. theta energy: -47.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -539.501443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.501443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.501443 (E_RNA)
where:
Base-Base interactions energy: -382.297
where: short stacking energy: -160.616
Base-Backbone interact. energy: -1.344
local terms energy: -155.860644
where:
bonds (distance) C4'-P energy: -28.263
bonds (distance) P-C4' energy: -39.845
flat angles C4'-P-C4' energy: -19.992
flat angles P-C4'-P energy: -22.050
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: 8
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -466.672485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.672485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.672485 (E_RNA)
where:
Base-Base interactions energy: -301.507
where: short stacking energy: -126.880
Base-Backbone interact. energy: -1.361
local terms energy: -163.804338
where:
bonds (distance) C4'-P energy: -30.756
bonds (distance) P-C4' energy: -33.121
flat angles C4'-P-C4' energy: -35.260
flat angles P-C4'-P energy: -25.739
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: 6, replica: 5
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -509.466950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.466950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.466950 (E_RNA)
where:
Base-Base interactions energy: -358.801
where: short stacking energy: -154.191
Base-Backbone interact. energy: -0.021
local terms energy: -150.645012
where:
bonds (distance) C4'-P energy: -25.888
bonds (distance) P-C4' energy: -25.857
flat angles C4'-P-C4' energy: -31.344
flat angles P-C4'-P energy: -24.611
tors. eta vs tors. theta energy: -42.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -414.602961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.602961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.602961 (E_RNA)
where:
Base-Base interactions energy: -275.102
where: short stacking energy: -115.170
Base-Backbone interact. energy: -1.608
local terms energy: -137.892567
where:
bonds (distance) C4'-P energy: -26.321
bonds (distance) P-C4' energy: -32.137
flat angles C4'-P-C4' energy: -32.755
flat angles P-C4'-P energy: -23.683
tors. eta vs tors. theta energy: -22.996
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: 10
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -367.154941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.154941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.154941 (E_RNA)
where:
Base-Base interactions energy: -230.961
where: short stacking energy: -122.116
Base-Backbone interact. energy: 0.932
local terms energy: -137.125110
where:
bonds (distance) C4'-P energy: -31.293
bonds (distance) P-C4' energy: -27.500
flat angles C4'-P-C4' energy: -29.086
flat angles P-C4'-P energy: -23.564
tors. eta vs tors. theta energy: -25.683
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: 7
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -325.767143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.767143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.767143 (E_RNA)
where:
Base-Base interactions energy: -199.955
where: short stacking energy: -90.541
Base-Backbone interact. energy: 2.749
local terms energy: -128.560239
where:
bonds (distance) C4'-P energy: -32.009
bonds (distance) P-C4' energy: -28.505
flat angles C4'-P-C4' energy: -30.274
flat angles P-C4'-P energy: -21.868
tors. eta vs tors. theta energy: -15.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -165.683514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.683514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.683514 (E_RNA)
where:
Base-Base interactions energy: -64.582
where: short stacking energy: -49.816
Base-Backbone interact. energy: -0.740
local terms energy: -100.361602
where:
bonds (distance) C4'-P energy: -28.907
bonds (distance) P-C4' energy: -28.515
flat angles C4'-P-C4' energy: -23.787
flat angles P-C4'-P energy: -15.326
tors. eta vs tors. theta energy: -3.826
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: 2
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -603.153234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.153234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.153234 (E_RNA)
where:
Base-Base interactions energy: -416.004
where: short stacking energy: -178.218
Base-Backbone interact. energy: -2.664
local terms energy: -184.485115
where:
bonds (distance) C4'-P energy: -33.703
bonds (distance) P-C4' energy: -38.671
flat angles C4'-P-C4' energy: -32.834
flat angles P-C4'-P energy: -33.181
tors. eta vs tors. theta energy: -46.096
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: 1
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -583.487460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.487460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.487460 (E_RNA)
where:
Base-Base interactions energy: -409.963
where: short stacking energy: -168.988
Base-Backbone interact. energy: -1.450
local terms energy: -172.074333
where:
bonds (distance) C4'-P energy: -34.935
bonds (distance) P-C4' energy: -35.348
flat angles C4'-P-C4' energy: -34.201
flat angles P-C4'-P energy: -23.840
tors. eta vs tors. theta energy: -43.750
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: 9
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -564.558544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.558544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.558544 (E_RNA)
where:
Base-Base interactions energy: -390.280
where: short stacking energy: -176.631
Base-Backbone interact. energy: -0.671
local terms energy: -173.606817
where:
bonds (distance) C4'-P energy: -28.277
bonds (distance) P-C4' energy: -35.640
flat angles C4'-P-C4' energy: -36.441
flat angles P-C4'-P energy: -23.948
tors. eta vs tors. theta energy: -49.301
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: 221
Temperature: 1.050000
Total energy: -512.347312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.347312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.347312 (E_RNA)
where:
Base-Base interactions energy: -365.658
where: short stacking energy: -138.806
Base-Backbone interact. energy: 1.106
local terms energy: -147.795220
where:
bonds (distance) C4'-P energy: -29.082
bonds (distance) P-C4' energy: -30.335
flat angles C4'-P-C4' energy: -33.788
flat angles P-C4'-P energy: -23.273
tors. eta vs tors. theta energy: -31.317
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: 4
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -534.634216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.634216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.634216 (E_RNA)
where:
Base-Base interactions energy: -365.240
where: short stacking energy: -177.571
Base-Backbone interact. energy: -0.210
local terms energy: -169.184637
where:
bonds (distance) C4'-P energy: -36.151
bonds (distance) P-C4' energy: -32.504
flat angles C4'-P-C4' energy: -27.681
flat angles P-C4'-P energy: -20.544
tors. eta vs tors. theta energy: -52.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -515.823637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.823637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.823637 (E_RNA)
where:
Base-Base interactions energy: -351.741
where: short stacking energy: -149.350
Base-Backbone interact. energy: -0.190
local terms energy: -163.891985
where:
bonds (distance) C4'-P energy: -27.040
bonds (distance) P-C4' energy: -34.271
flat angles C4'-P-C4' energy: -35.685
flat angles P-C4'-P energy: -22.908
tors. eta vs tors. theta energy: -43.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -385.236584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.236584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.236584 (E_RNA)
where:
Base-Base interactions energy: -257.988
where: short stacking energy: -100.353
Base-Backbone interact. energy: -0.503
local terms energy: -126.745716
where:
bonds (distance) C4'-P energy: -21.076
bonds (distance) P-C4' energy: -26.905
flat angles C4'-P-C4' energy: -37.376
flat angles P-C4'-P energy: -22.890
tors. eta vs tors. theta energy: -18.499
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: 7
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -333.282481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.282481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.282481 (E_RNA)
where:
Base-Base interactions energy: -207.229
where: short stacking energy: -91.159
Base-Backbone interact. energy: 1.103
local terms energy: -127.156780
where:
bonds (distance) C4'-P energy: -31.135
bonds (distance) P-C4' energy: -29.582
flat angles C4'-P-C4' energy: -32.960
flat angles P-C4'-P energy: -24.862
tors. eta vs tors. theta energy: -8.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -330.248603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.248603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.248603 (E_RNA)
where:
Base-Base interactions energy: -192.645
where: short stacking energy: -102.145
Base-Backbone interact. energy: 3.413
local terms energy: -141.017395
where:
bonds (distance) C4'-P energy: -23.001
bonds (distance) P-C4' energy: -31.445
flat angles C4'-P-C4' energy: -33.217
flat angles P-C4'-P energy: -23.304
tors. eta vs tors. theta energy: -30.050
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: 10, replica: 3
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -194.967494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.967494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.967494 (E_RNA)
where:
Base-Base interactions energy: -91.876
where: short stacking energy: -48.678
Base-Backbone interact. energy: -0.913
local terms energy: -102.178857
where:
bonds (distance) C4'-P energy: -30.129
bonds (distance) P-C4' energy: -33.546
flat angles C4'-P-C4' energy: -25.531
flat angles P-C4'-P energy: -16.482
tors. eta vs tors. theta energy: 3.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -602.503431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.503431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.503431 (E_RNA)
where:
Base-Base interactions energy: -414.918
where: short stacking energy: -166.466
Base-Backbone interact. energy: 0.028
local terms energy: -187.613429
where:
bonds (distance) C4'-P energy: -37.389
bonds (distance) P-C4' energy: -42.074
flat angles C4'-P-C4' energy: -36.893
flat angles P-C4'-P energy: -25.901
tors. eta vs tors. theta energy: -45.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -602.064776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.064776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.064776 (E_RNA)
where:
Base-Base interactions energy: -422.336
where: short stacking energy: -179.009
Base-Backbone interact. energy: -0.558
local terms energy: -179.171040
where:
bonds (distance) C4'-P energy: -34.616
bonds (distance) P-C4' energy: -33.610
flat angles C4'-P-C4' energy: -42.377
flat angles P-C4'-P energy: -22.238
tors. eta vs tors. theta energy: -46.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -571.506874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.506874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.506874 (E_RNA)
where:
Base-Base interactions energy: -396.861
where: short stacking energy: -169.915
Base-Backbone interact. energy: -1.186
local terms energy: -173.459744
where:
bonds (distance) C4'-P energy: -33.981
bonds (distance) P-C4' energy: -33.351
flat angles C4'-P-C4' energy: -34.864
flat angles P-C4'-P energy: -23.221
tors. eta vs tors. theta energy: -48.042
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: 8
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -531.168102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.168102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.168102 (E_RNA)
where:
Base-Base interactions energy: -366.653
where: short stacking energy: -145.279
Base-Backbone interact. energy: 4.431
local terms energy: -168.946352
where:
bonds (distance) C4'-P energy: -39.143
bonds (distance) P-C4' energy: -32.320
flat angles C4'-P-C4' energy: -38.832
flat angles P-C4'-P energy: -24.397
tors. eta vs tors. theta energy: -34.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -513.003954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.003954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.003954 (E_RNA)
where:
Base-Base interactions energy: -352.087
where: short stacking energy: -143.574
Base-Backbone interact. energy: -0.526
local terms energy: -160.390827
where:
bonds (distance) C4'-P energy: -30.628
bonds (distance) P-C4' energy: -36.532
flat angles C4'-P-C4' energy: -33.076
flat angles P-C4'-P energy: -22.045
tors. eta vs tors. theta energy: -38.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -482.652163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.652163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.652163 (E_RNA)
where:
Base-Base interactions energy: -325.915
where: short stacking energy: -144.423
Base-Backbone interact. energy: -0.786
local terms energy: -155.951321
where:
bonds (distance) C4'-P energy: -31.308
bonds (distance) P-C4' energy: -36.427
flat angles C4'-P-C4' energy: -34.088
flat angles P-C4'-P energy: -16.484
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: 7, replica: 6
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -416.245700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.245700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.245700 (E_RNA)
where:
Base-Base interactions energy: -272.701
where: short stacking energy: -112.646
Base-Backbone interact. energy: -0.922
local terms energy: -142.623014
where:
bonds (distance) C4'-P energy: -32.190
bonds (distance) P-C4' energy: -28.582
flat angles C4'-P-C4' energy: -32.439
flat angles P-C4'-P energy: -26.421
tors. eta vs tors. theta energy: -22.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -378.661813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.661813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.661813 (E_RNA)
where:
Base-Base interactions energy: -244.423
where: short stacking energy: -122.635
Base-Backbone interact. energy: -0.155
local terms energy: -134.084249
where:
bonds (distance) C4'-P energy: -32.989
bonds (distance) P-C4' energy: -19.813
flat angles C4'-P-C4' energy: -30.738
flat angles P-C4'-P energy: -24.242
tors. eta vs tors. theta energy: -26.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -373.576272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.576272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.576272 (E_RNA)
where:
Base-Base interactions energy: -240.759
where: short stacking energy: -120.450
Base-Backbone interact. energy: -0.125
local terms energy: -132.692814
where:
bonds (distance) C4'-P energy: -29.994
bonds (distance) P-C4' energy: -32.430
flat angles C4'-P-C4' energy: -32.305
flat angles P-C4'-P energy: -13.426
tors. eta vs tors. theta energy: -24.538
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: 3
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -241.884923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.884923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.884923 (E_RNA)
where:
Base-Base interactions energy: -117.967
where: short stacking energy: -71.611
Base-Backbone interact. energy: 1.181
local terms energy: -125.099605
where:
bonds (distance) C4'-P energy: -27.860
bonds (distance) P-C4' energy: -36.073
flat angles C4'-P-C4' energy: -35.706
flat angles P-C4'-P energy: -17.940
tors. eta vs tors. theta energy: -7.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -603.873469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.873469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.873469 (E_RNA)
where:
Base-Base interactions energy: -426.875
where: short stacking energy: -168.903
Base-Backbone interact. energy: -0.790
local terms energy: -176.208488
where:
bonds (distance) C4'-P energy: -31.707
bonds (distance) P-C4' energy: -31.975
flat angles C4'-P-C4' energy: -37.630
flat angles P-C4'-P energy: -27.427
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: 2, replica: 2
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -601.289694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.289694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.289694 (E_RNA)
where:
Base-Base interactions energy: -424.687
where: short stacking energy: -177.621
Base-Backbone interact. energy: -2.043
local terms energy: -174.559824
where:
bonds (distance) C4'-P energy: -30.194
bonds (distance) P-C4' energy: -34.146
flat angles C4'-P-C4' energy: -35.582
flat angles P-C4'-P energy: -25.983
tors. eta vs tors. theta energy: -48.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -572.621926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.621926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.621926 (E_RNA)
where:
Base-Base interactions energy: -399.494
where: short stacking energy: -175.613
Base-Backbone interact. energy: -0.045
local terms energy: -173.082937
where:
bonds (distance) C4'-P energy: -25.482
bonds (distance) P-C4' energy: -31.290
flat angles C4'-P-C4' energy: -35.141
flat angles P-C4'-P energy: -26.669
tors. eta vs tors. theta energy: -54.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -540.171489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.171489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.171489 (E_RNA)
where:
Base-Base interactions energy: -375.981
where: short stacking energy: -159.504
Base-Backbone interact. energy: -0.411
local terms energy: -163.779046
where:
bonds (distance) C4'-P energy: -25.395
bonds (distance) P-C4' energy: -39.042
flat angles C4'-P-C4' energy: -37.001
flat angles P-C4'-P energy: -19.022
tors. eta vs tors. theta energy: -43.319
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: 8
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -555.807396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.807396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.807396 (E_RNA)
where:
Base-Base interactions energy: -384.015
where: short stacking energy: -157.776
Base-Backbone interact. energy: 0.113
local terms energy: -171.905546
where:
bonds (distance) C4'-P energy: -33.309
bonds (distance) P-C4' energy: -32.581
flat angles C4'-P-C4' energy: -36.215
flat angles P-C4'-P energy: -24.587
tors. eta vs tors. theta energy: -45.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -485.122720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.122720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.122720 (E_RNA)
where:
Base-Base interactions energy: -329.018
where: short stacking energy: -130.232
Base-Backbone interact. energy: 3.091
local terms energy: -159.195980
where:
bonds (distance) C4'-P energy: -32.688
bonds (distance) P-C4' energy: -36.492
flat angles C4'-P-C4' energy: -34.959
flat angles P-C4'-P energy: -18.217
tors. eta vs tors. theta energy: -36.840
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: 6
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -404.338818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.338818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.338818 (E_RNA)
where:
Base-Base interactions energy: -265.462
where: short stacking energy: -121.731
Base-Backbone interact. energy: -0.256
local terms energy: -138.620319
where:
bonds (distance) C4'-P energy: -33.115
bonds (distance) P-C4' energy: -22.649
flat angles C4'-P-C4' energy: -33.362
flat angles P-C4'-P energy: -20.571
tors. eta vs tors. theta energy: -28.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -397.666837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.666837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.666837 (E_RNA)
where:
Base-Base interactions energy: -252.357
where: short stacking energy: -124.878
Base-Backbone interact. energy: 0.953
local terms energy: -146.262066
where:
bonds (distance) C4'-P energy: -27.178
bonds (distance) P-C4' energy: -30.728
flat angles C4'-P-C4' energy: -36.156
flat angles P-C4'-P energy: -23.703
tors. eta vs tors. theta energy: -28.496
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: 7
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -325.573360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.573360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.573360 (E_RNA)
where:
Base-Base interactions energy: -200.759
where: short stacking energy: -99.091
Base-Backbone interact. energy: 0.812
local terms energy: -125.625790
where:
bonds (distance) C4'-P energy: -31.747
bonds (distance) P-C4' energy: -29.776
flat angles C4'-P-C4' energy: -28.648
flat angles P-C4'-P energy: -15.485
tors. eta vs tors. theta energy: -19.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -247.757729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.757729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.757729 (E_RNA)
where:
Base-Base interactions energy: -139.560
where: short stacking energy: -51.794
Base-Backbone interact. energy: -1.228
local terms energy: -106.969870
where:
bonds (distance) C4'-P energy: -28.980
bonds (distance) P-C4' energy: -35.823
flat angles C4'-P-C4' energy: -21.132
flat angles P-C4'-P energy: -23.020
tors. eta vs tors. theta energy: 1.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -605.601716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.601716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.601716 (E_RNA)
where:
Base-Base interactions energy: -421.341
where: short stacking energy: -175.040
Base-Backbone interact. energy: -1.217
local terms energy: -183.043180
where:
bonds (distance) C4'-P energy: -29.171
bonds (distance) P-C4' energy: -35.372
flat angles C4'-P-C4' energy: -40.736
flat angles P-C4'-P energy: -28.860
tors. eta vs tors. theta energy: -48.905
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: 2
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -586.100143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.100143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.100143 (E_RNA)
where:
Base-Base interactions energy: -411.738
where: short stacking energy: -167.959
Base-Backbone interact. energy: -1.193
local terms energy: -173.168949
where:
bonds (distance) C4'-P energy: -35.355
bonds (distance) P-C4' energy: -34.821
flat angles C4'-P-C4' energy: -35.470
flat angles P-C4'-P energy: -23.990
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: 9
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -585.377058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.377058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.377058 (E_RNA)
where:
Base-Base interactions energy: -398.120
where: short stacking energy: -180.911
Base-Backbone interact. energy: -0.641
local terms energy: -186.616691
where:
bonds (distance) C4'-P energy: -31.890
bonds (distance) P-C4' energy: -34.777
flat angles C4'-P-C4' energy: -38.130
flat angles P-C4'-P energy: -26.398
tors. eta vs tors. theta energy: -55.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -538.930073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.930073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.930073 (E_RNA)
where:
Base-Base interactions energy: -368.841
where: short stacking energy: -168.340
Base-Backbone interact. energy: -1.133
local terms energy: -168.956154
where:
bonds (distance) C4'-P energy: -35.242
bonds (distance) P-C4' energy: -32.311
flat angles C4'-P-C4' energy: -34.458
flat angles P-C4'-P energy: -15.869
tors. eta vs tors. theta energy: -51.076
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: 8
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -560.341707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.341707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.341707 (E_RNA)
where:
Base-Base interactions energy: -403.058
where: short stacking energy: -156.728
Base-Backbone interact. energy: -0.707
local terms energy: -156.577041
where:
bonds (distance) C4'-P energy: -31.741
bonds (distance) P-C4' energy: -29.619
flat angles C4'-P-C4' energy: -26.915
flat angles P-C4'-P energy: -26.422
tors. eta vs tors. theta energy: -41.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -486.127050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.127050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.127050 (E_RNA)
where:
Base-Base interactions energy: -335.394
where: short stacking energy: -141.828
Base-Backbone interact. energy: 0.896
local terms energy: -151.629234
where:
bonds (distance) C4'-P energy: -32.155
bonds (distance) P-C4' energy: -34.639
flat angles C4'-P-C4' energy: -33.822
flat angles P-C4'-P energy: -23.723
tors. eta vs tors. theta energy: -27.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -417.750358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.750358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.750358 (E_RNA)
where:
Base-Base interactions energy: -282.362
where: short stacking energy: -125.523
Base-Backbone interact. energy: -0.278
local terms energy: -135.110068
where:
bonds (distance) C4'-P energy: -25.828
bonds (distance) P-C4' energy: -27.794
flat angles C4'-P-C4' energy: -25.618
flat angles P-C4'-P energy: -24.752
tors. eta vs tors. theta energy: -31.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -365.918225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.918225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.918225 (E_RNA)
where:
Base-Base interactions energy: -237.797
where: short stacking energy: -110.563
Base-Backbone interact. energy: -0.263
local terms energy: -127.858207
where:
bonds (distance) C4'-P energy: -32.656
bonds (distance) P-C4' energy: -30.099
flat angles C4'-P-C4' energy: -30.909
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -22.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -315.410557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.410557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.410557 (E_RNA)
where:
Base-Base interactions energy: -202.491
where: short stacking energy: -87.835
Base-Backbone interact. energy: -0.431
local terms energy: -112.488040
where:
bonds (distance) C4'-P energy: -32.512
bonds (distance) P-C4' energy: -33.425
flat angles C4'-P-C4' energy: -20.901
flat angles P-C4'-P energy: -11.081
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: 10, replica: 3
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -246.092144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.092144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.092144 (E_RNA)
where:
Base-Base interactions energy: -159.771
where: short stacking energy: -71.255
Base-Backbone interact. energy: 0.039
local terms energy: -86.360320
where:
bonds (distance) C4'-P energy: -22.772
bonds (distance) P-C4' energy: -32.841
flat angles C4'-P-C4' energy: -23.267
flat angles P-C4'-P energy: -2.186
tors. eta vs tors. theta energy: -5.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -607.679960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.679960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.679960 (E_RNA)
where:
Base-Base interactions energy: -418.593
where: short stacking energy: -176.351
Base-Backbone interact. energy: -0.559
local terms energy: -188.527560
where:
bonds (distance) C4'-P energy: -39.416
bonds (distance) P-C4' energy: -33.197
flat angles C4'-P-C4' energy: -41.692
flat angles P-C4'-P energy: -22.956
tors. eta vs tors. theta energy: -51.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -599.929657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.929657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.929657 (E_RNA)
where:
Base-Base interactions energy: -444.438
where: short stacking energy: -170.261
Base-Backbone interact. energy: -2.546
local terms energy: -152.945532
where:
bonds (distance) C4'-P energy: -30.521
bonds (distance) P-C4' energy: -31.201
flat angles C4'-P-C4' energy: -26.823
flat angles P-C4'-P energy: -23.411
tors. eta vs tors. theta energy: -40.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -584.511132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.511132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.511132 (E_RNA)
where:
Base-Base interactions energy: -403.619
where: short stacking energy: -179.067
Base-Backbone interact. energy: -0.054
local terms energy: -180.837820
where:
bonds (distance) C4'-P energy: -35.881
bonds (distance) P-C4' energy: -37.111
flat angles C4'-P-C4' energy: -37.170
flat angles P-C4'-P energy: -17.725
tors. eta vs tors. theta energy: -52.952
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: 8
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -567.164379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.164379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.164379 (E_RNA)
where:
Base-Base interactions energy: -406.879
where: short stacking energy: -156.034
Base-Backbone interact. energy: 1.041
local terms energy: -161.326242
where:
bonds (distance) C4'-P energy: -30.259
bonds (distance) P-C4' energy: -24.957
flat angles C4'-P-C4' energy: -42.154
flat angles P-C4'-P energy: -23.686
tors. eta vs tors. theta energy: -40.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -533.772533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.772533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.772533 (E_RNA)
where:
Base-Base interactions energy: -362.494
where: short stacking energy: -163.861
Base-Backbone interact. energy: -1.507
local terms energy: -169.771502
where:
bonds (distance) C4'-P energy: -24.571
bonds (distance) P-C4' energy: -34.010
flat angles C4'-P-C4' energy: -34.783
flat angles P-C4'-P energy: -25.806
tors. eta vs tors. theta energy: -50.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -485.214213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.214213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.214213 (E_RNA)
where:
Base-Base interactions energy: -332.632
where: short stacking energy: -143.823
Base-Backbone interact. energy: -0.388
local terms energy: -152.194534
where:
bonds (distance) C4'-P energy: -30.426
bonds (distance) P-C4' energy: -33.893
flat angles C4'-P-C4' energy: -35.241
flat angles P-C4'-P energy: -15.502
tors. eta vs tors. theta energy: -37.132
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: 7, replica: 6
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -420.533951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.533951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.533951 (E_RNA)
where:
Base-Base interactions energy: -278.378
where: short stacking energy: -122.574
Base-Backbone interact. energy: -1.460
local terms energy: -140.695582
where:
bonds (distance) C4'-P energy: -31.897
bonds (distance) P-C4' energy: -31.815
flat angles C4'-P-C4' energy: -30.657
flat angles P-C4'-P energy: -18.073
tors. eta vs tors. theta energy: -28.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -350.333234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.333234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.333234 (E_RNA)
where:
Base-Base interactions energy: -235.961
where: short stacking energy: -98.635
Base-Backbone interact. energy: 0.688
local terms energy: -115.060231
where:
bonds (distance) C4'-P energy: -20.465
bonds (distance) P-C4' energy: -29.321
flat angles C4'-P-C4' energy: -26.055
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -30.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -322.700100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.700100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.700100 (E_RNA)
where:
Base-Base interactions energy: -199.275
where: short stacking energy: -95.149
Base-Backbone interact. energy: -1.767
local terms energy: -121.658202
where:
bonds (distance) C4'-P energy: -29.223
bonds (distance) P-C4' energy: -21.770
flat angles C4'-P-C4' energy: -31.207
flat angles P-C4'-P energy: -20.572
tors. eta vs tors. theta energy: -18.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -236.670146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.670146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.670146 (E_RNA)
where:
Base-Base interactions energy: -131.619
where: short stacking energy: -72.069
Base-Backbone interact. energy: 0.138
local terms energy: -105.189715
where:
bonds (distance) C4'-P energy: -32.626
bonds (distance) P-C4' energy: -26.230
flat angles C4'-P-C4' energy: -18.560
flat angles P-C4'-P energy: -19.777
tors. eta vs tors. theta energy: -7.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -612.065378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.065378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.065378 (E_RNA)
where:
Base-Base interactions energy: -425.691
where: short stacking energy: -178.849
Base-Backbone interact. energy: -0.895
local terms energy: -185.479563
where:
bonds (distance) C4'-P energy: -32.968
bonds (distance) P-C4' energy: -32.496
flat angles C4'-P-C4' energy: -40.250
flat angles P-C4'-P energy: -29.565
tors. eta vs tors. theta energy: -50.201
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: 226
Temperature: 0.950000
Total energy: -592.985875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.985875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.985875 (E_RNA)
where:
Base-Base interactions energy: -411.580
where: short stacking energy: -174.676
Base-Backbone interact. energy: -0.051
local terms energy: -181.354460
where:
bonds (distance) C4'-P energy: -35.605
bonds (distance) P-C4' energy: -33.439
flat angles C4'-P-C4' energy: -35.095
flat angles P-C4'-P energy: -27.979
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: 3, replica: 8
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -567.724148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.724148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.724148 (E_RNA)
where:
Base-Base interactions energy: -390.132
where: short stacking energy: -160.649
Base-Backbone interact. energy: -2.142
local terms energy: -175.450097
where:
bonds (distance) C4'-P energy: -37.948
bonds (distance) P-C4' energy: -32.656
flat angles C4'-P-C4' energy: -42.433
flat angles P-C4'-P energy: -24.989
tors. eta vs tors. theta energy: -37.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -579.191977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.191977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.191977 (E_RNA)
where:
Base-Base interactions energy: -413.633
where: short stacking energy: -188.998
Base-Backbone interact. energy: -0.056
local terms energy: -165.502549
where:
bonds (distance) C4'-P energy: -30.470
bonds (distance) P-C4' energy: -18.882
flat angles C4'-P-C4' energy: -33.166
flat angles P-C4'-P energy: -28.907
tors. eta vs tors. theta energy: -54.078
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: 4
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -542.955397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.955397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.955397 (E_RNA)
where:
Base-Base interactions energy: -369.891
where: short stacking energy: -176.701
Base-Backbone interact. energy: -0.046
local terms energy: -173.017865
where:
bonds (distance) C4'-P energy: -23.463
bonds (distance) P-C4' energy: -39.285
flat angles C4'-P-C4' energy: -37.963
flat angles P-C4'-P energy: -24.164
tors. eta vs tors. theta energy: -48.142
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: 5
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -459.391676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.391676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.391676 (E_RNA)
where:
Base-Base interactions energy: -313.603
where: short stacking energy: -132.509
Base-Backbone interact. energy: -0.548
local terms energy: -145.240291
where:
bonds (distance) C4'-P energy: -27.883
bonds (distance) P-C4' energy: -25.254
flat angles C4'-P-C4' energy: -35.370
flat angles P-C4'-P energy: -23.867
tors. eta vs tors. theta energy: -32.866
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: 7, replica: 6
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -406.519857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.519857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.519857 (E_RNA)
where:
Base-Base interactions energy: -257.771
where: short stacking energy: -109.345
Base-Backbone interact. energy: -0.947
local terms energy: -147.801790
where:
bonds (distance) C4'-P energy: -29.585
bonds (distance) P-C4' energy: -35.098
flat angles C4'-P-C4' energy: -35.743
flat angles P-C4'-P energy: -20.490
tors. eta vs tors. theta energy: -26.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -346.048606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.048606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.048606 (E_RNA)
where:
Base-Base interactions energy: -217.877
where: short stacking energy: -113.899
Base-Backbone interact. energy: -0.229
local terms energy: -127.943152
where:
bonds (distance) C4'-P energy: -23.809
bonds (distance) P-C4' energy: -37.452
flat angles C4'-P-C4' energy: -28.842
flat angles P-C4'-P energy: -18.365
tors. eta vs tors. theta energy: -19.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -316.350132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.350132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.350132 (E_RNA)
where:
Base-Base interactions energy: -209.380
where: short stacking energy: -103.715
Base-Backbone interact. energy: 0.496
local terms energy: -107.465479
where:
bonds (distance) C4'-P energy: -30.116
bonds (distance) P-C4' energy: -19.536
flat angles C4'-P-C4' energy: -22.821
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -21.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -258.612030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.612030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.612030 (E_RNA)
where:
Base-Base interactions energy: -146.941
where: short stacking energy: -85.419
Base-Backbone interact. energy: 0.696
local terms energy: -112.367024
where:
bonds (distance) C4'-P energy: -29.932
bonds (distance) P-C4' energy: -26.168
flat angles C4'-P-C4' energy: -33.710
flat angles P-C4'-P energy: -6.535
tors. eta vs tors. theta energy: -16.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -602.582834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.582834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.582834 (E_RNA)
where:
Base-Base interactions energy: -426.370
where: short stacking energy: -182.853
Base-Backbone interact. energy: -1.169
local terms energy: -175.043479
where:
bonds (distance) C4'-P energy: -30.953
bonds (distance) P-C4' energy: -34.917
flat angles C4'-P-C4' energy: -39.305
flat angles P-C4'-P energy: -20.604
tors. eta vs tors. theta energy: -49.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -597.350443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.350443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.350443 (E_RNA)
where:
Base-Base interactions energy: -430.375
where: short stacking energy: -183.375
Base-Backbone interact. energy: -1.428
local terms energy: -165.547333
where:
bonds (distance) C4'-P energy: -36.502
bonds (distance) P-C4' energy: -27.243
flat angles C4'-P-C4' energy: -31.237
flat angles P-C4'-P energy: -27.010
tors. eta vs tors. theta energy: -43.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -583.167379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.167379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.167379 (E_RNA)
where:
Base-Base interactions energy: -409.008
where: short stacking energy: -167.271
Base-Backbone interact. energy: -0.913
local terms energy: -173.246846
where:
bonds (distance) C4'-P energy: -33.813
bonds (distance) P-C4' energy: -34.480
flat angles C4'-P-C4' energy: -36.203
flat angles P-C4'-P energy: -26.007
tors. eta vs tors. theta energy: -42.743
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: 9
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -569.826697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.826697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.826697 (E_RNA)
where:
Base-Base interactions energy: -392.159
where: short stacking energy: -184.796
Base-Backbone interact. energy: -0.524
local terms energy: -177.144332
where:
bonds (distance) C4'-P energy: -30.702
bonds (distance) P-C4' energy: -26.539
flat angles C4'-P-C4' energy: -39.394
flat angles P-C4'-P energy: -27.013
tors. eta vs tors. theta energy: -53.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -538.909813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.909813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.909813 (E_RNA)
where:
Base-Base interactions energy: -384.437
where: short stacking energy: -164.844
Base-Backbone interact. energy: -0.608
local terms energy: -153.865252
where:
bonds (distance) C4'-P energy: -20.433
bonds (distance) P-C4' energy: -30.664
flat angles C4'-P-C4' energy: -32.015
flat angles P-C4'-P energy: -23.599
tors. eta vs tors. theta energy: -47.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -425.019012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.019012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.019012 (E_RNA)
where:
Base-Base interactions energy: -286.479
where: short stacking energy: -125.939
Base-Backbone interact. energy: 0.644
local terms energy: -139.183483
where:
bonds (distance) C4'-P energy: -31.292
bonds (distance) P-C4' energy: -36.689
flat angles C4'-P-C4' energy: -27.560
flat angles P-C4'-P energy: -16.588
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: 7, replica: 5
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -486.865034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.865034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.865034 (E_RNA)
where:
Base-Base interactions energy: -322.564
where: short stacking energy: -149.900
Base-Backbone interact. energy: -0.319
local terms energy: -163.982746
where:
bonds (distance) C4'-P energy: -37.379
bonds (distance) P-C4' energy: -35.042
flat angles C4'-P-C4' energy: -33.320
flat angles P-C4'-P energy: -24.362
tors. eta vs tors. theta energy: -33.881
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: 10
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -351.388433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.388433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.388433 (E_RNA)
where:
Base-Base interactions energy: -215.962
where: short stacking energy: -113.068
Base-Backbone interact. energy: -0.430
local terms energy: -134.996438
where:
bonds (distance) C4'-P energy: -22.955
bonds (distance) P-C4' energy: -32.294
flat angles C4'-P-C4' energy: -28.482
flat angles P-C4'-P energy: -24.294
tors. eta vs tors. theta energy: -26.972
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: 7
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -315.480019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.480019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.480019 (E_RNA)
where:
Base-Base interactions energy: -207.347
where: short stacking energy: -110.261
Base-Backbone interact. energy: 0.480
local terms energy: -108.613086
where:
bonds (distance) C4'-P energy: -30.711
bonds (distance) P-C4' energy: -22.016
flat angles C4'-P-C4' energy: -23.368
flat angles P-C4'-P energy: -17.173
tors. eta vs tors. theta energy: -15.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -228.561455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.561455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.561455 (E_RNA)
where:
Base-Base interactions energy: -128.659
where: short stacking energy: -64.149
Base-Backbone interact. energy: -0.377
local terms energy: -99.525113
where:
bonds (distance) C4'-P energy: -20.518
bonds (distance) P-C4' energy: -26.631
flat angles C4'-P-C4' energy: -28.816
flat angles P-C4'-P energy: -24.965
tors. eta vs tors. theta energy: 1.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -600.976012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.976012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.976012 (E_RNA)
where:
Base-Base interactions energy: -419.025
where: short stacking energy: -182.498
Base-Backbone interact. energy: -1.948
local terms energy: -180.003344
where:
bonds (distance) C4'-P energy: -28.607
bonds (distance) P-C4' energy: -37.021
flat angles C4'-P-C4' energy: -37.021
flat angles P-C4'-P energy: -26.804
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: 2
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -605.727568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.727568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.727568 (E_RNA)
where:
Base-Base interactions energy: -426.594
where: short stacking energy: -173.175
Base-Backbone interact. energy: -0.897
local terms energy: -178.236135
where:
bonds (distance) C4'-P energy: -35.629
bonds (distance) P-C4' energy: -35.931
flat angles C4'-P-C4' energy: -39.136
flat angles P-C4'-P energy: -21.787
tors. eta vs tors. theta energy: -45.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -577.883290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.883290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.883290 (E_RNA)
where:
Base-Base interactions energy: -415.933
where: short stacking energy: -160.212
Base-Backbone interact. energy: 1.274
local terms energy: -163.224912
where:
bonds (distance) C4'-P energy: -34.099
bonds (distance) P-C4' energy: -27.551
flat angles C4'-P-C4' energy: -35.070
flat angles P-C4'-P energy: -23.290
tors. eta vs tors. theta energy: -43.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -574.970290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.970290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.970290 (E_RNA)
where:
Base-Base interactions energy: -389.891
where: short stacking energy: -175.080
Base-Backbone interact. energy: -0.093
local terms energy: -184.985836
where:
bonds (distance) C4'-P energy: -37.976
bonds (distance) P-C4' energy: -35.317
flat angles C4'-P-C4' energy: -36.109
flat angles P-C4'-P energy: -21.727
tors. eta vs tors. theta energy: -53.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -528.240466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.240466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.240466 (E_RNA)
where:
Base-Base interactions energy: -364.292
where: short stacking energy: -171.654
Base-Backbone interact. energy: -1.186
local terms energy: -162.762494
where:
bonds (distance) C4'-P energy: -30.349
bonds (distance) P-C4' energy: -23.856
flat angles C4'-P-C4' energy: -40.233
flat angles P-C4'-P energy: -19.732
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: 6, replica: 6
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -430.443973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.443973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.443973 (E_RNA)
where:
Base-Base interactions energy: -274.507
where: short stacking energy: -119.485
Base-Backbone interact. energy: -0.490
local terms energy: -155.446971
where:
bonds (distance) C4'-P energy: -34.433
bonds (distance) P-C4' energy: -34.986
flat angles C4'-P-C4' energy: -30.854
flat angles P-C4'-P energy: -23.607
tors. eta vs tors. theta energy: -31.566
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: 5
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -452.326662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.326662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.326662 (E_RNA)
where:
Base-Base interactions energy: -322.820
where: short stacking energy: -131.181
Base-Backbone interact. energy: -1.391
local terms energy: -128.115385
where:
bonds (distance) C4'-P energy: -31.865
bonds (distance) P-C4' energy: -21.050
flat angles C4'-P-C4' energy: -29.061
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: -33.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -355.417121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.417121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.417121 (E_RNA)
where:
Base-Base interactions energy: -218.606
where: short stacking energy: -103.253
Base-Backbone interact. energy: -0.502
local terms energy: -136.309349
where:
bonds (distance) C4'-P energy: -29.847
bonds (distance) P-C4' energy: -33.014
flat angles C4'-P-C4' energy: -30.908
flat angles P-C4'-P energy: -21.429
tors. eta vs tors. theta energy: -21.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -350.447555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.447555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.447555 (E_RNA)
where:
Base-Base interactions energy: -232.866
where: short stacking energy: -117.149
Base-Backbone interact. energy: -0.108
local terms energy: -117.473261
where:
bonds (distance) C4'-P energy: -29.162
bonds (distance) P-C4' energy: -29.366
flat angles C4'-P-C4' energy: -29.172
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -18.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -172.560542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.560542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.560542 (E_RNA)
where:
Base-Base interactions energy: -76.583
where: short stacking energy: -54.164
Base-Backbone interact. energy: 2.024
local terms energy: -98.001915
where:
bonds (distance) C4'-P energy: -26.741
bonds (distance) P-C4' energy: -33.208
flat angles C4'-P-C4' energy: -24.374
flat angles P-C4'-P energy: -14.332
tors. eta vs tors. theta energy: 0.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -608.192360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.192360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.192360 (E_RNA)
where:
Base-Base interactions energy: -424.725
where: short stacking energy: -181.467
Base-Backbone interact. energy: -3.513
local terms energy: -179.954299
where:
bonds (distance) C4'-P energy: -31.237
bonds (distance) P-C4' energy: -34.352
flat angles C4'-P-C4' energy: -38.427
flat angles P-C4'-P energy: -23.582
tors. eta vs tors. theta energy: -52.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -603.034340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.034340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.034340 (E_RNA)
where:
Base-Base interactions energy: -410.107
where: short stacking energy: -178.367
Base-Backbone interact. energy: -2.163
local terms energy: -190.763938
where:
bonds (distance) C4'-P energy: -36.945
bonds (distance) P-C4' energy: -38.385
flat angles C4'-P-C4' energy: -37.485
flat angles P-C4'-P energy: -27.835
tors. eta vs tors. theta energy: -50.113
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: 8
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -570.932892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.932892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.932892 (E_RNA)
where:
Base-Base interactions energy: -407.272
where: short stacking energy: -169.421
Base-Backbone interact. energy: -1.119
local terms energy: -162.541584
where:
bonds (distance) C4'-P energy: -32.259
bonds (distance) P-C4' energy: -23.073
flat angles C4'-P-C4' energy: -37.355
flat angles P-C4'-P energy: -22.663
tors. eta vs tors. theta energy: -47.192
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: 4, replica: 4
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -539.206321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.206321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.206321 (E_RNA)
where:
Base-Base interactions energy: -367.947
where: short stacking energy: -171.442
Base-Backbone interact. energy: -0.363
local terms energy: -170.895559
where:
bonds (distance) C4'-P energy: -32.010
bonds (distance) P-C4' energy: -32.660
flat angles C4'-P-C4' energy: -37.934
flat angles P-C4'-P energy: -21.136
tors. eta vs tors. theta energy: -47.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -550.488389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.488389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.488389 (E_RNA)
where:
Base-Base interactions energy: -373.662
where: short stacking energy: -179.817
Base-Backbone interact. energy: -1.192
local terms energy: -175.634411
where:
bonds (distance) C4'-P energy: -30.063
bonds (distance) P-C4' energy: -34.456
flat angles C4'-P-C4' energy: -32.716
flat angles P-C4'-P energy: -23.390
tors. eta vs tors. theta energy: -55.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -501.488237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.488237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.488237 (E_RNA)
where:
Base-Base interactions energy: -344.320
where: short stacking energy: -148.881
Base-Backbone interact. energy: -0.791
local terms energy: -156.377403
where:
bonds (distance) C4'-P energy: -31.783
bonds (distance) P-C4' energy: -27.835
flat angles C4'-P-C4' energy: -31.594
flat angles P-C4'-P energy: -30.940
tors. eta vs tors. theta energy: -34.226
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: 7, replica: 6
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -425.780907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.780907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.780907 (E_RNA)
where:
Base-Base interactions energy: -285.294
where: short stacking energy: -133.685
Base-Backbone interact. energy: -0.485
local terms energy: -140.002316
where:
bonds (distance) C4'-P energy: -31.663
bonds (distance) P-C4' energy: -24.434
flat angles C4'-P-C4' energy: -29.235
flat angles P-C4'-P energy: -21.927
tors. eta vs tors. theta energy: -32.743
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: 7
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -357.009555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.009555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.009555 (E_RNA)
where:
Base-Base interactions energy: -227.076
where: short stacking energy: -107.577
Base-Backbone interact. energy: -1.066
local terms energy: -128.867751
where:
bonds (distance) C4'-P energy: -30.130
bonds (distance) P-C4' energy: -28.850
flat angles C4'-P-C4' energy: -28.504
flat angles P-C4'-P energy: -22.534
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: 10
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -346.382215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.382215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.382215 (E_RNA)
where:
Base-Base interactions energy: -208.156
where: short stacking energy: -112.567
Base-Backbone interact. energy: -0.005
local terms energy: -138.221617
where:
bonds (distance) C4'-P energy: -30.600
bonds (distance) P-C4' energy: -33.728
flat angles C4'-P-C4' energy: -30.836
flat angles P-C4'-P energy: -16.838
tors. eta vs tors. theta energy: -26.219
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: 229
Temperature: 1.350000
Total energy: -153.287130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.287130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.287130 (E_RNA)
where:
Base-Base interactions energy: -66.797
where: short stacking energy: -42.863
Base-Backbone interact. energy: 2.837
local terms energy: -89.327323
where:
bonds (distance) C4'-P energy: -29.803
bonds (distance) P-C4' energy: -24.884
flat angles C4'-P-C4' energy: -24.813
flat angles P-C4'-P energy: -13.586
tors. eta vs tors. theta energy: 3.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -610.322088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.322088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.322088 (E_RNA)
where:
Base-Base interactions energy: -432.736
where: short stacking energy: -175.559
Base-Backbone interact. energy: -0.626
local terms energy: -176.960723
where:
bonds (distance) C4'-P energy: -30.610
bonds (distance) P-C4' energy: -41.809
flat angles C4'-P-C4' energy: -37.154
flat angles P-C4'-P energy: -19.142
tors. eta vs tors. theta energy: -48.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -603.947002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.947002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.947002 (E_RNA)
where:
Base-Base interactions energy: -424.473
where: short stacking energy: -168.372
Base-Backbone interact. energy: -1.106
local terms energy: -178.368501
where:
bonds (distance) C4'-P energy: -31.373
bonds (distance) P-C4' energy: -37.214
flat angles C4'-P-C4' energy: -39.023
flat angles P-C4'-P energy: -26.742
tors. eta vs tors. theta energy: -44.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -558.945467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.945467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.945467 (E_RNA)
where:
Base-Base interactions energy: -385.844
where: short stacking energy: -182.206
Base-Backbone interact. energy: -0.903
local terms energy: -172.198128
where:
bonds (distance) C4'-P energy: -34.328
bonds (distance) P-C4' energy: -29.713
flat angles C4'-P-C4' energy: -37.485
flat angles P-C4'-P energy: -23.641
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: 4, replica: 8
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -563.348705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.348705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.348705 (E_RNA)
where:
Base-Base interactions energy: -393.542
where: short stacking energy: -165.495
Base-Backbone interact. energy: -0.886
local terms energy: -168.920642
where:
bonds (distance) C4'-P energy: -28.253
bonds (distance) P-C4' energy: -32.261
flat angles C4'-P-C4' energy: -38.089
flat angles P-C4'-P energy: -25.800
tors. eta vs tors. theta energy: -44.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -560.493211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.493211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.493211 (E_RNA)
where:
Base-Base interactions energy: -389.097
where: short stacking energy: -170.982
Base-Backbone interact. energy: 0.819
local terms energy: -172.214321
where:
bonds (distance) C4'-P energy: -30.216
bonds (distance) P-C4' energy: -30.926
flat angles C4'-P-C4' energy: -42.529
flat angles P-C4'-P energy: -21.535
tors. eta vs tors. theta energy: -47.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -483.108304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.108304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.108304 (E_RNA)
where:
Base-Base interactions energy: -325.934
where: short stacking energy: -159.814
Base-Backbone interact. energy: -0.219
local terms energy: -156.954811
where:
bonds (distance) C4'-P energy: -32.490
bonds (distance) P-C4' energy: -34.199
flat angles C4'-P-C4' energy: -28.141
flat angles P-C4'-P energy: -17.877
tors. eta vs tors. theta energy: -44.248
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: 230
Temperature: 1.200000
Total energy: -383.827340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.827340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.827340 (E_RNA)
where:
Base-Base interactions energy: -250.270
where: short stacking energy: -117.998
Base-Backbone interact. energy: -0.384
local terms energy: -133.173242
where:
bonds (distance) C4'-P energy: -37.839
bonds (distance) P-C4' energy: -23.801
flat angles C4'-P-C4' energy: -31.221
flat angles P-C4'-P energy: -15.638
tors. eta vs tors. theta energy: -24.674
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: 6
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -408.461564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.461564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.461564 (E_RNA)
where:
Base-Base interactions energy: -282.410
where: short stacking energy: -116.193
Base-Backbone interact. energy: -0.933
local terms energy: -125.118370
where:
bonds (distance) C4'-P energy: -20.808
bonds (distance) P-C4' energy: -33.516
flat angles C4'-P-C4' energy: -29.566
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -28.216
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: 10
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -342.168319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.168319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.168319 (E_RNA)
where:
Base-Base interactions energy: -191.753
where: short stacking energy: -95.230
Base-Backbone interact. energy: -0.162
local terms energy: -150.253940
where:
bonds (distance) C4'-P energy: -37.319
bonds (distance) P-C4' energy: -36.491
flat angles C4'-P-C4' energy: -33.921
flat angles P-C4'-P energy: -20.735
tors. eta vs tors. theta energy: -21.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -163.895021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.895021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.895021 (E_RNA)
where:
Base-Base interactions energy: -61.472
where: short stacking energy: -47.997
Base-Backbone interact. energy: -0.485
local terms energy: -101.938061
where:
bonds (distance) C4'-P energy: -32.081
bonds (distance) P-C4' energy: -36.475
flat angles C4'-P-C4' energy: -20.741
flat angles P-C4'-P energy: -17.794
tors. eta vs tors. theta energy: 5.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -604.260783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.260783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.260783 (E_RNA)
where:
Base-Base interactions energy: -420.869
where: short stacking energy: -175.685
Base-Backbone interact. energy: -0.865
local terms energy: -182.526934
where:
bonds (distance) C4'-P energy: -28.184
bonds (distance) P-C4' energy: -37.024
flat angles C4'-P-C4' energy: -35.441
flat angles P-C4'-P energy: -30.867
tors. eta vs tors. theta energy: -51.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -607.728855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.728855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.728855 (E_RNA)
where:
Base-Base interactions energy: -424.202
where: short stacking energy: -179.812
Base-Backbone interact. energy: -0.708
local terms energy: -182.818619
where:
bonds (distance) C4'-P energy: -33.518
bonds (distance) P-C4' energy: -34.316
flat angles C4'-P-C4' energy: -39.742
flat angles P-C4'-P energy: -27.137
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: 3, replica: 4
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -560.955660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.955660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.955660 (E_RNA)
where:
Base-Base interactions energy: -386.446
where: short stacking energy: -177.449
Base-Backbone interact. energy: -0.017
local terms energy: -174.492837
where:
bonds (distance) C4'-P energy: -33.438
bonds (distance) P-C4' energy: -33.369
flat angles C4'-P-C4' energy: -38.754
flat angles P-C4'-P energy: -23.281
tors. eta vs tors. theta energy: -45.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -577.464449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.464449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.464449 (E_RNA)
where:
Base-Base interactions energy: -402.142
where: short stacking energy: -162.245
Base-Backbone interact. energy: -0.109
local terms energy: -175.213286
where:
bonds (distance) C4'-P energy: -30.294
bonds (distance) P-C4' energy: -37.899
flat angles C4'-P-C4' energy: -33.701
flat angles P-C4'-P energy: -21.542
tors. eta vs tors. theta energy: -51.778
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: 5, replica: 8
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -536.576988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.576988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.576988 (E_RNA)
where:
Base-Base interactions energy: -382.607
where: short stacking energy: -158.703
Base-Backbone interact. energy: -0.914
local terms energy: -153.056028
where:
bonds (distance) C4'-P energy: -32.114
bonds (distance) P-C4' energy: -25.460
flat angles C4'-P-C4' energy: -34.583
flat angles P-C4'-P energy: -22.612
tors. eta vs tors. theta energy: -38.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -482.127404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.127404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.127404 (E_RNA)
where:
Base-Base interactions energy: -335.422
where: short stacking energy: -138.517
Base-Backbone interact. energy: -0.516
local terms energy: -146.188744
where:
bonds (distance) C4'-P energy: -31.411
bonds (distance) P-C4' energy: -34.963
flat angles C4'-P-C4' energy: -35.805
flat angles P-C4'-P energy: -13.937
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: 7, replica: 7
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -384.802516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.802516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.802516 (E_RNA)
where:
Base-Base interactions energy: -249.447
where: short stacking energy: -121.659
Base-Backbone interact. energy: 1.870
local terms energy: -137.224976
where:
bonds (distance) C4'-P energy: -34.048
bonds (distance) P-C4' energy: -22.605
flat angles C4'-P-C4' energy: -33.182
flat angles P-C4'-P energy: -19.736
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: 8, replica: 6
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -400.575978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.575978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.575978 (E_RNA)
where:
Base-Base interactions energy: -271.769
where: short stacking energy: -111.231
Base-Backbone interact. energy: 0.259
local terms energy: -129.066811
where:
bonds (distance) C4'-P energy: -35.424
bonds (distance) P-C4' energy: -30.331
flat angles C4'-P-C4' energy: -26.584
flat angles P-C4'-P energy: -19.316
tors. eta vs tors. theta energy: -17.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -322.243982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.243982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.243982 (E_RNA)
where:
Base-Base interactions energy: -190.730
where: short stacking energy: -70.112
Base-Backbone interact. energy: 0.578
local terms energy: -132.091167
where:
bonds (distance) C4'-P energy: -30.109
bonds (distance) P-C4' energy: -33.190
flat angles C4'-P-C4' energy: -32.059
flat angles P-C4'-P energy: -26.964
tors. eta vs tors. theta energy: -9.770
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: 10, replica: 3
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -177.091480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.091480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.091480 (E_RNA)
where:
Base-Base interactions energy: -83.606
where: short stacking energy: -65.641
Base-Backbone interact. energy: 3.948
local terms energy: -97.433276
where:
bonds (distance) C4'-P energy: -25.215
bonds (distance) P-C4' energy: -23.194
flat angles C4'-P-C4' energy: -27.383
flat angles P-C4'-P energy: -18.568
tors. eta vs tors. theta energy: -3.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -595.728832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.728832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.728832 (E_RNA)
where:
Base-Base interactions energy: -405.263
where: short stacking energy: -173.769
Base-Backbone interact. energy: -0.959
local terms energy: -189.506526
where:
bonds (distance) C4'-P energy: -34.072
bonds (distance) P-C4' energy: -35.295
flat angles C4'-P-C4' energy: -39.077
flat angles P-C4'-P energy: -30.172
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: 2, replica: 2
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -599.557196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.557196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.557196 (E_RNA)
where:
Base-Base interactions energy: -422.053
where: short stacking energy: -183.059
Base-Backbone interact. energy: -0.043
local terms energy: -177.460956
where:
bonds (distance) C4'-P energy: -32.469
bonds (distance) P-C4' energy: -36.169
flat angles C4'-P-C4' energy: -39.398
flat angles P-C4'-P energy: -22.384
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: 3, replica: 9
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -570.575782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.575782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.575782 (E_RNA)
where:
Base-Base interactions energy: -379.143
where: short stacking energy: -165.945
Base-Backbone interact. energy: -0.404
local terms energy: -191.029266
where:
bonds (distance) C4'-P energy: -39.989
bonds (distance) P-C4' energy: -35.738
flat angles C4'-P-C4' energy: -35.538
flat angles P-C4'-P energy: -24.729
tors. eta vs tors. theta energy: -55.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -544.570809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.570809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.570809 (E_RNA)
where:
Base-Base interactions energy: -386.220
where: short stacking energy: -168.805
Base-Backbone interact. energy: -0.008
local terms energy: -158.343138
where:
bonds (distance) C4'-P energy: -33.615
bonds (distance) P-C4' energy: -21.533
flat angles C4'-P-C4' energy: -30.015
flat angles P-C4'-P energy: -25.169
tors. eta vs tors. theta energy: -48.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -533.313029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.313029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.313029 (E_RNA)
where:
Base-Base interactions energy: -368.783
where: short stacking energy: -142.886
Base-Backbone interact. energy: -2.366
local terms energy: -162.164750
where:
bonds (distance) C4'-P energy: -31.775
bonds (distance) P-C4' energy: -33.909
flat angles C4'-P-C4' energy: -37.901
flat angles P-C4'-P energy: -25.208
tors. eta vs tors. theta energy: -33.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -504.086109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.086109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.086109 (E_RNA)
where:
Base-Base interactions energy: -351.573
where: short stacking energy: -148.578
Base-Backbone interact. energy: -0.152
local terms energy: -152.360599
where:
bonds (distance) C4'-P energy: -30.599
bonds (distance) P-C4' energy: -26.249
flat angles C4'-P-C4' energy: -30.077
flat angles P-C4'-P energy: -23.031
tors. eta vs tors. theta energy: -42.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -424.347617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.347617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.347617 (E_RNA)
where:
Base-Base interactions energy: -284.609
where: short stacking energy: -127.826
Base-Backbone interact. energy: -0.179
local terms energy: -139.559349
where:
bonds (distance) C4'-P energy: -32.420
bonds (distance) P-C4' energy: -33.270
flat angles C4'-P-C4' energy: -21.288
flat angles P-C4'-P energy: -24.188
tors. eta vs tors. theta energy: -28.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -405.852944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.852944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.852944 (E_RNA)
where:
Base-Base interactions energy: -270.479
where: short stacking energy: -121.952
Base-Backbone interact. energy: 0.409
local terms energy: -135.782631
where:
bonds (distance) C4'-P energy: -25.336
bonds (distance) P-C4' energy: -25.488
flat angles C4'-P-C4' energy: -31.880
flat angles P-C4'-P energy: -23.342
tors. eta vs tors. theta energy: -29.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -337.875947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.875947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.875947 (E_RNA)
where:
Base-Base interactions energy: -208.787
where: short stacking energy: -94.900
Base-Backbone interact. energy: -0.325
local terms energy: -128.764195
where:
bonds (distance) C4'-P energy: -29.930
bonds (distance) P-C4' energy: -27.515
flat angles C4'-P-C4' energy: -28.044
flat angles P-C4'-P energy: -17.195
tors. eta vs tors. theta energy: -26.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -213.804710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.804710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.804710 (E_RNA)
where:
Base-Base interactions energy: -119.791
where: short stacking energy: -78.122
Base-Backbone interact. energy: 0.841
local terms energy: -94.854809
where:
bonds (distance) C4'-P energy: -23.697
bonds (distance) P-C4' energy: -31.681
flat angles C4'-P-C4' energy: -28.888
flat angles P-C4'-P energy: -7.165
tors. eta vs tors. theta energy: -3.424
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: 1, replica: 1
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -603.474595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.474595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.474595 (E_RNA)
where:
Base-Base interactions energy: -418.517
where: short stacking energy: -183.804
Base-Backbone interact. energy: -1.112
local terms energy: -183.845858
where:
bonds (distance) C4'-P energy: -40.226
bonds (distance) P-C4' energy: -32.220
flat angles C4'-P-C4' energy: -38.022
flat angles P-C4'-P energy: -27.476
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: 2, replica: 2
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -596.584370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.584370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.584370 (E_RNA)
where:
Base-Base interactions energy: -421.860
where: short stacking energy: -172.488
Base-Backbone interact. energy: -1.888
local terms energy: -172.836490
where:
bonds (distance) C4'-P energy: -31.865
bonds (distance) P-C4' energy: -37.261
flat angles C4'-P-C4' energy: -37.037
flat angles P-C4'-P energy: -25.816
tors. eta vs tors. theta energy: -40.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -591.537994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.537994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.537994 (E_RNA)
where:
Base-Base interactions energy: -417.618
where: short stacking energy: -188.423
Base-Backbone interact. energy: -0.267
local terms energy: -173.653039
where:
bonds (distance) C4'-P energy: -29.191
bonds (distance) P-C4' energy: -37.298
flat angles C4'-P-C4' energy: -33.575
flat angles P-C4'-P energy: -20.694
tors. eta vs tors. theta energy: -52.896
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: 233
Temperature: 1.050000
Total energy: -590.619770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.619770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.619770 (E_RNA)
where:
Base-Base interactions energy: -412.700
where: short stacking energy: -161.632
Base-Backbone interact. energy: -1.188
local terms energy: -176.731410
where:
bonds (distance) C4'-P energy: -36.419
bonds (distance) P-C4' energy: -34.886
flat angles C4'-P-C4' energy: -37.084
flat angles P-C4'-P energy: -20.912
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: 5, replica: 4
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -517.260882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.260882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.260882 (E_RNA)
where:
Base-Base interactions energy: -359.762
where: short stacking energy: -158.256
Base-Backbone interact. energy: 4.389
local terms energy: -161.888296
where:
bonds (distance) C4'-P energy: -31.622
bonds (distance) P-C4' energy: -28.678
flat angles C4'-P-C4' energy: -36.690
flat angles P-C4'-P energy: -22.994
tors. eta vs tors. theta energy: -41.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -477.291010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.291010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.291010 (E_RNA)
where:
Base-Base interactions energy: -332.672
where: short stacking energy: -130.208
Base-Backbone interact. energy: -0.960
local terms energy: -143.659547
where:
bonds (distance) C4'-P energy: -32.042
bonds (distance) P-C4' energy: -34.490
flat angles C4'-P-C4' energy: -31.968
flat angles P-C4'-P energy: -19.829
tors. eta vs tors. theta energy: -25.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -433.990351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.990351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.990351 (E_RNA)
where:
Base-Base interactions energy: -285.704
where: short stacking energy: -130.289
Base-Backbone interact. energy: -0.622
local terms energy: -147.663965
where:
bonds (distance) C4'-P energy: -34.113
bonds (distance) P-C4' energy: -31.954
flat angles C4'-P-C4' energy: -30.026
flat angles P-C4'-P energy: -18.826
tors. eta vs tors. theta energy: -32.745
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: 7
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -408.340074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.340074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.340074 (E_RNA)
where:
Base-Base interactions energy: -282.365
where: short stacking energy: -121.620
Base-Backbone interact. energy: 2.151
local terms energy: -128.125504
where:
bonds (distance) C4'-P energy: -31.989
bonds (distance) P-C4' energy: -24.246
flat angles C4'-P-C4' energy: -25.300
flat angles P-C4'-P energy: -18.559
tors. eta vs tors. theta energy: -28.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -329.860119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.860119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.860119 (E_RNA)
where:
Base-Base interactions energy: -216.849
where: short stacking energy: -91.080
Base-Backbone interact. energy: -1.388
local terms energy: -111.623751
where:
bonds (distance) C4'-P energy: -22.560
bonds (distance) P-C4' energy: -25.587
flat angles C4'-P-C4' energy: -24.644
flat angles P-C4'-P energy: -16.490
tors. eta vs tors. theta energy: -22.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -240.951771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.951771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.951771 (E_RNA)
where:
Base-Base interactions energy: -144.617
where: short stacking energy: -70.117
Base-Backbone interact. energy: -1.346
local terms energy: -94.989379
where:
bonds (distance) C4'-P energy: -29.257
bonds (distance) P-C4' energy: -27.196
flat angles C4'-P-C4' energy: -27.054
flat angles P-C4'-P energy: -1.200
tors. eta vs tors. theta energy: -10.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -625.112019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.112019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.112019 (E_RNA)
where:
Base-Base interactions energy: -437.054
where: short stacking energy: -179.216
Base-Backbone interact. energy: -0.631
local terms energy: -187.427476
where:
bonds (distance) C4'-P energy: -40.976
bonds (distance) P-C4' energy: -29.342
flat angles C4'-P-C4' energy: -37.549
flat angles P-C4'-P energy: -27.921
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: 2, replica: 1
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -597.709781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.709781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.709781 (E_RNA)
where:
Base-Base interactions energy: -421.032
where: short stacking energy: -177.228
Base-Backbone interact. energy: 0.618
local terms energy: -177.296245
where:
bonds (distance) C4'-P energy: -32.685
bonds (distance) P-C4' energy: -40.374
flat angles C4'-P-C4' energy: -33.875
flat angles P-C4'-P energy: -24.332
tors. eta vs tors. theta energy: -46.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -578.875903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.875903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.875903 (E_RNA)
where:
Base-Base interactions energy: -418.268
where: short stacking energy: -169.585
Base-Backbone interact. energy: -0.633
local terms energy: -159.975088
where:
bonds (distance) C4'-P energy: -24.241
bonds (distance) P-C4' energy: -33.045
flat angles C4'-P-C4' energy: -34.701
flat angles P-C4'-P energy: -23.779
tors. eta vs tors. theta energy: -44.208
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: 9
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -580.244256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.244256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.244256 (E_RNA)
where:
Base-Base interactions energy: -415.188
where: short stacking energy: -191.683
Base-Backbone interact. energy: -0.017
local terms energy: -165.038790
where:
bonds (distance) C4'-P energy: -18.146
bonds (distance) P-C4' energy: -36.145
flat angles C4'-P-C4' energy: -30.543
flat angles P-C4'-P energy: -28.485
tors. eta vs tors. theta energy: -51.720
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: 4
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -530.534833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.534833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.534833 (E_RNA)
where:
Base-Base interactions energy: -367.938
where: short stacking energy: -179.540
Base-Backbone interact. energy: -1.347
local terms energy: -161.249619
where:
bonds (distance) C4'-P energy: -28.099
bonds (distance) P-C4' energy: -29.385
flat angles C4'-P-C4' energy: -31.408
flat angles P-C4'-P energy: -26.008
tors. eta vs tors. theta energy: -46.350
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: 234
Temperature: 1.150000
Total energy: -486.726308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.726308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.726308 (E_RNA)
where:
Base-Base interactions energy: -330.413
where: short stacking energy: -147.333
Base-Backbone interact. energy: 1.133
local terms energy: -157.446038
where:
bonds (distance) C4'-P energy: -27.588
bonds (distance) P-C4' energy: -36.614
flat angles C4'-P-C4' energy: -31.402
flat angles P-C4'-P energy: -23.280
tors. eta vs tors. theta energy: -38.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -400.128194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.128194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.128194 (E_RNA)
where:
Base-Base interactions energy: -256.768
where: short stacking energy: -117.895
Base-Backbone interact. energy: 1.201
local terms energy: -144.560369
where:
bonds (distance) C4'-P energy: -28.831
bonds (distance) P-C4' energy: -35.009
flat angles C4'-P-C4' energy: -32.651
flat angles P-C4'-P energy: -20.653
tors. eta vs tors. theta energy: -27.417
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: 6
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -406.715941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.715941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.715941 (E_RNA)
where:
Base-Base interactions energy: -280.222
where: short stacking energy: -110.792
Base-Backbone interact. energy: 0.330
local terms energy: -126.824400
where:
bonds (distance) C4'-P energy: -30.205
bonds (distance) P-C4' energy: -22.971
flat angles C4'-P-C4' energy: -33.962
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -28.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -343.987824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.987824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.987824 (E_RNA)
where:
Base-Base interactions energy: -214.024
where: short stacking energy: -93.797
Base-Backbone interact. energy: -0.697
local terms energy: -129.266986
where:
bonds (distance) C4'-P energy: -24.250
bonds (distance) P-C4' energy: -35.536
flat angles C4'-P-C4' energy: -29.771
flat angles P-C4'-P energy: -23.802
tors. eta vs tors. theta energy: -15.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -226.727189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.727189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.727189 (E_RNA)
where:
Base-Base interactions energy: -140.256
where: short stacking energy: -80.822
Base-Backbone interact. energy: 2.244
local terms energy: -88.715358
where:
bonds (distance) C4'-P energy: -24.606
bonds (distance) P-C4' energy: -13.347
flat angles C4'-P-C4' energy: -26.649
flat angles P-C4'-P energy: -16.864
tors. eta vs tors. theta energy: -7.249
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: 2
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -610.411447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.411447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.411447 (E_RNA)
where:
Base-Base interactions energy: -417.778
where: short stacking energy: -173.299
Base-Backbone interact. energy: -1.625
local terms energy: -191.007752
where:
bonds (distance) C4'-P energy: -36.734
bonds (distance) P-C4' energy: -38.469
flat angles C4'-P-C4' energy: -35.392
flat angles P-C4'-P energy: -31.756
tors. eta vs tors. theta energy: -48.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -598.036177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.036177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.036177 (E_RNA)
where:
Base-Base interactions energy: -432.549
where: short stacking energy: -169.455
Base-Backbone interact. energy: -1.319
local terms energy: -164.168668
where:
bonds (distance) C4'-P energy: -32.531
bonds (distance) P-C4' energy: -32.424
flat angles C4'-P-C4' energy: -29.939
flat angles P-C4'-P energy: -26.371
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: 3, replica: 8
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -569.170009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.170009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.170009 (E_RNA)
where:
Base-Base interactions energy: -397.505
where: short stacking energy: -160.933
Base-Backbone interact. energy: -1.254
local terms energy: -170.411700
where:
bonds (distance) C4'-P energy: -30.632
bonds (distance) P-C4' energy: -30.208
flat angles C4'-P-C4' energy: -37.297
flat angles P-C4'-P energy: -25.704
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: 235
Temperature: 1.050000
Total energy: -585.006186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.006186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.006186 (E_RNA)
where:
Base-Base interactions energy: -406.356
where: short stacking energy: -182.558
Base-Backbone interact. energy: 1.901
local terms energy: -180.551767
where:
bonds (distance) C4'-P energy: -33.049
bonds (distance) P-C4' energy: -29.807
flat angles C4'-P-C4' energy: -35.693
flat angles P-C4'-P energy: -28.355
tors. eta vs tors. theta energy: -53.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -535.144435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.144435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.144435 (E_RNA)
where:
Base-Base interactions energy: -374.491
where: short stacking energy: -163.765
Base-Backbone interact. energy: -0.641
local terms energy: -160.012724
where:
bonds (distance) C4'-P energy: -28.315
bonds (distance) P-C4' energy: -31.682
flat angles C4'-P-C4' energy: -30.564
flat angles P-C4'-P energy: -22.338
tors. eta vs tors. theta energy: -47.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -486.714028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.714028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.714028 (E_RNA)
where:
Base-Base interactions energy: -330.371
where: short stacking energy: -138.576
Base-Backbone interact. energy: -0.564
local terms energy: -155.779298
where:
bonds (distance) C4'-P energy: -33.984
bonds (distance) P-C4' energy: -34.529
flat angles C4'-P-C4' energy: -28.247
flat angles P-C4'-P energy: -22.969
tors. eta vs tors. theta energy: -36.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -406.610093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.610093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.610093 (E_RNA)
where:
Base-Base interactions energy: -261.821
where: short stacking energy: -118.940
Base-Backbone interact. energy: -0.613
local terms energy: -144.176278
where:
bonds (distance) C4'-P energy: -31.429
bonds (distance) P-C4' energy: -33.391
flat angles C4'-P-C4' energy: -30.956
flat angles P-C4'-P energy: -25.982
tors. eta vs tors. theta energy: -22.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -413.547398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.547398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.547398 (E_RNA)
where:
Base-Base interactions energy: -282.741
where: short stacking energy: -109.243
Base-Backbone interact. energy: 0.569
local terms energy: -131.375613
where:
bonds (distance) C4'-P energy: -23.364
bonds (distance) P-C4' energy: -38.162
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -22.050
tors. eta vs tors. theta energy: -31.123
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: 10
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -396.245874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.245874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.245874 (E_RNA)
where:
Base-Base interactions energy: -259.100
where: short stacking energy: -114.352
Base-Backbone interact. energy: -0.280
local terms energy: -136.865946
where:
bonds (distance) C4'-P energy: -28.309
bonds (distance) P-C4' energy: -38.301
flat angles C4'-P-C4' energy: -25.634
flat angles P-C4'-P energy: -17.471
tors. eta vs tors. theta energy: -27.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -235.637065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.637065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.637065 (E_RNA)
where:
Base-Base interactions energy: -118.074
where: short stacking energy: -71.541
Base-Backbone interact. energy: 3.355
local terms energy: -120.918319
where:
bonds (distance) C4'-P energy: -30.445
bonds (distance) P-C4' energy: -36.686
flat angles C4'-P-C4' energy: -24.262
flat angles P-C4'-P energy: -17.239
tors. eta vs tors. theta energy: -12.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -606.287653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.287653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.287653 (E_RNA)
where:
Base-Base interactions energy: -430.011
where: short stacking energy: -185.700
Base-Backbone interact. energy: -0.942
local terms energy: -175.334818
where:
bonds (distance) C4'-P energy: -29.343
bonds (distance) P-C4' energy: -28.583
flat angles C4'-P-C4' energy: -42.268
flat angles P-C4'-P energy: -25.088
tors. eta vs tors. theta energy: -50.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -593.059596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.059596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.059596 (E_RNA)
where:
Base-Base interactions energy: -418.560
where: short stacking energy: -179.728
Base-Backbone interact. energy: -0.917
local terms energy: -173.582683
where:
bonds (distance) C4'-P energy: -36.162
bonds (distance) P-C4' energy: -25.587
flat angles C4'-P-C4' energy: -41.760
flat angles P-C4'-P energy: -23.427
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: 3, replica: 9
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -595.120662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.120662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.120662 (E_RNA)
where:
Base-Base interactions energy: -407.998
where: short stacking energy: -188.285
Base-Backbone interact. energy: -1.012
local terms energy: -186.110155
where:
bonds (distance) C4'-P energy: -36.491
bonds (distance) P-C4' energy: -34.830
flat angles C4'-P-C4' energy: -37.432
flat angles P-C4'-P energy: -26.349
tors. eta vs tors. theta energy: -51.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -572.097811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.097811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.097811 (E_RNA)
where:
Base-Base interactions energy: -401.008
where: short stacking energy: -178.610
Base-Backbone interact. energy: 0.323
local terms energy: -171.412242
where:
bonds (distance) C4'-P energy: -36.610
bonds (distance) P-C4' energy: -33.398
flat angles C4'-P-C4' energy: -34.336
flat angles P-C4'-P energy: -25.132
tors. eta vs tors. theta energy: -41.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -498.625789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.625789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.625789 (E_RNA)
where:
Base-Base interactions energy: -356.510
where: short stacking energy: -153.392
Base-Backbone interact. energy: 0.356
local terms energy: -142.471217
where:
bonds (distance) C4'-P energy: -23.243
bonds (distance) P-C4' energy: -34.103
flat angles C4'-P-C4' energy: -29.804
flat angles P-C4'-P energy: -20.362
tors. eta vs tors. theta energy: -34.959
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: 4
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -500.463382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.463382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.463382 (E_RNA)
where:
Base-Base interactions energy: -357.000
where: short stacking energy: -144.827
Base-Backbone interact. energy: -1.644
local terms energy: -141.819166
where:
bonds (distance) C4'-P energy: -25.939
bonds (distance) P-C4' energy: -29.732
flat angles C4'-P-C4' energy: -27.272
flat angles P-C4'-P energy: -18.390
tors. eta vs tors. theta energy: -40.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -409.475163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.475163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.475163 (E_RNA)
where:
Base-Base interactions energy: -280.840
where: short stacking energy: -130.419
Base-Backbone interact. energy: -0.973
local terms energy: -127.662393
where:
bonds (distance) C4'-P energy: -28.090
bonds (distance) P-C4' energy: -28.771
flat angles C4'-P-C4' energy: -27.863
flat angles P-C4'-P energy: -14.441
tors. eta vs tors. theta energy: -28.498
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: 7
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -459.789513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.789513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.789513 (E_RNA)
where:
Base-Base interactions energy: -323.845
where: short stacking energy: -142.651
Base-Backbone interact. energy: -1.927
local terms energy: -134.017947
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -29.804
flat angles C4'-P-C4' energy: -30.566
flat angles P-C4'-P energy: -17.725
tors. eta vs tors. theta energy: -41.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -381.728027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.728027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.728027 (E_RNA)
where:
Base-Base interactions energy: -257.625
where: short stacking energy: -109.744
Base-Backbone interact. energy: -0.332
local terms energy: -123.770426
where:
bonds (distance) C4'-P energy: -22.893
bonds (distance) P-C4' energy: -32.681
flat angles C4'-P-C4' energy: -28.559
flat angles P-C4'-P energy: -16.837
tors. eta vs tors. theta energy: -22.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -214.586638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.586638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.586638 (E_RNA)
where:
Base-Base interactions energy: -129.814
where: short stacking energy: -53.571
Base-Backbone interact. energy: -0.931
local terms energy: -83.841755
where:
bonds (distance) C4'-P energy: -28.472
bonds (distance) P-C4' energy: -31.109
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -16.864
tors. eta vs tors. theta energy: 6.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -600.192232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.192232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.192232 (E_RNA)
where:
Base-Base interactions energy: -404.204
where: short stacking energy: -168.260
Base-Backbone interact. energy: -0.403
local terms energy: -195.585216
where:
bonds (distance) C4'-P energy: -34.212
bonds (distance) P-C4' energy: -39.991
flat angles C4'-P-C4' energy: -40.362
flat angles P-C4'-P energy: -30.254
tors. eta vs tors. theta energy: -50.767
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: 9
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -593.877677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.877677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.877677 (E_RNA)
where:
Base-Base interactions energy: -412.195
where: short stacking energy: -182.655
Base-Backbone interact. energy: -0.005
local terms energy: -181.677249
where:
bonds (distance) C4'-P energy: -30.014
bonds (distance) P-C4' energy: -30.565
flat angles C4'-P-C4' energy: -38.512
flat angles P-C4'-P energy: -30.330
tors. eta vs tors. theta energy: -52.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -584.164167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.164167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.164167 (E_RNA)
where:
Base-Base interactions energy: -406.372
where: short stacking energy: -158.273
Base-Backbone interact. energy: -1.178
local terms energy: -176.613557
where:
bonds (distance) C4'-P energy: -38.848
bonds (distance) P-C4' energy: -27.321
flat angles C4'-P-C4' energy: -36.632
flat angles P-C4'-P energy: -26.842
tors. eta vs tors. theta energy: -46.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -556.507820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.507820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.507820 (E_RNA)
where:
Base-Base interactions energy: -396.949
where: short stacking energy: -170.701
Base-Backbone interact. energy: -0.118
local terms energy: -159.440258
where:
bonds (distance) C4'-P energy: -34.585
bonds (distance) P-C4' energy: -32.001
flat angles C4'-P-C4' energy: -25.643
flat angles P-C4'-P energy: -24.926
tors. eta vs tors. theta energy: -42.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -518.324946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.324946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.324946 (E_RNA)
where:
Base-Base interactions energy: -363.223
where: short stacking energy: -142.382
Base-Backbone interact. energy: -0.724
local terms energy: -154.378338
where:
bonds (distance) C4'-P energy: -30.625
bonds (distance) P-C4' energy: -34.236
flat angles C4'-P-C4' energy: -33.393
flat angles P-C4'-P energy: -19.272
tors. eta vs tors. theta energy: -36.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -509.009165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.009165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.009165 (E_RNA)
where:
Base-Base interactions energy: -360.300
where: short stacking energy: -156.227
Base-Backbone interact. energy: -0.026
local terms energy: -148.683503
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -28.578
flat angles C4'-P-C4' energy: -33.384
flat angles P-C4'-P energy: -21.555
tors. eta vs tors. theta energy: -49.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -404.424892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.424892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.424892 (E_RNA)
where:
Base-Base interactions energy: -259.123
where: short stacking energy: -112.626
Base-Backbone interact. energy: -0.452
local terms energy: -144.850086
where:
bonds (distance) C4'-P energy: -33.621
bonds (distance) P-C4' energy: -37.708
flat angles C4'-P-C4' energy: -25.407
flat angles P-C4'-P energy: -26.036
tors. eta vs tors. theta energy: -22.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -460.840320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.840320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.840320 (E_RNA)
where:
Base-Base interactions energy: -317.914
where: short stacking energy: -139.603
Base-Backbone interact. energy: -0.286
local terms energy: -142.639819
where:
bonds (distance) C4'-P energy: -25.335
bonds (distance) P-C4' energy: -20.059
flat angles C4'-P-C4' energy: -30.093
flat angles P-C4'-P energy: -29.089
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: 9, replica: 10
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -336.606604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.606604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.606604 (E_RNA)
where:
Base-Base interactions energy: -219.706
where: short stacking energy: -103.988
Base-Backbone interact. energy: 1.880
local terms energy: -118.780574
where:
bonds (distance) C4'-P energy: -22.503
bonds (distance) P-C4' energy: -30.616
flat angles C4'-P-C4' energy: -32.740
flat angles P-C4'-P energy: -16.611
tors. eta vs tors. theta energy: -16.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -210.203511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.203511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.203511 (E_RNA)
where:
Base-Base interactions energy: -109.960
where: short stacking energy: -56.497
Base-Backbone interact. energy: -1.093
local terms energy: -99.150711
where:
bonds (distance) C4'-P energy: -25.877
bonds (distance) P-C4' energy: -32.630
flat angles C4'-P-C4' energy: -21.176
flat angles P-C4'-P energy: -15.795
tors. eta vs tors. theta energy: -3.673
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: 9
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -603.170006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.170006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.170006 (E_RNA)
where:
Base-Base interactions energy: -416.508
where: short stacking energy: -183.958
Base-Backbone interact. energy: -0.014
local terms energy: -186.648422
where:
bonds (distance) C4'-P energy: -37.496
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -38.373
flat angles P-C4'-P energy: -26.381
tors. eta vs tors. theta energy: -54.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -580.600971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.600971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.600971 (E_RNA)
where:
Base-Base interactions energy: -397.699
where: short stacking energy: -170.541
Base-Backbone interact. energy: -1.898
local terms energy: -181.003366
where:
bonds (distance) C4'-P energy: -34.883
bonds (distance) P-C4' energy: -36.052
flat angles C4'-P-C4' energy: -40.745
flat angles P-C4'-P energy: -21.728
tors. eta vs tors. theta energy: -47.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -571.639095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.639095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.639095 (E_RNA)
where:
Base-Base interactions energy: -414.822
where: short stacking energy: -158.608
Base-Backbone interact. energy: -1.954
local terms energy: -154.862712
where:
bonds (distance) C4'-P energy: -29.858
bonds (distance) P-C4' energy: -26.837
flat angles C4'-P-C4' energy: -31.040
flat angles P-C4'-P energy: -24.948
tors. eta vs tors. theta energy: -42.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -582.103115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.103115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.103115 (E_RNA)
where:
Base-Base interactions energy: -406.674
where: short stacking energy: -163.078
Base-Backbone interact. energy: -0.374
local terms energy: -175.055514
where:
bonds (distance) C4'-P energy: -43.286
bonds (distance) P-C4' energy: -34.183
flat angles C4'-P-C4' energy: -31.981
flat angles P-C4'-P energy: -24.503
tors. eta vs tors. theta energy: -41.103
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: 5
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -508.818827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.818827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.818827 (E_RNA)
where:
Base-Base interactions energy: -362.846
where: short stacking energy: -137.545
Base-Backbone interact. energy: -1.183
local terms energy: -144.789518
where:
bonds (distance) C4'-P energy: -22.998
bonds (distance) P-C4' energy: -32.561
flat angles C4'-P-C4' energy: -33.218
flat angles P-C4'-P energy: -25.536
tors. eta vs tors. theta energy: -30.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -475.628855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.628855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.628855 (E_RNA)
where:
Base-Base interactions energy: -323.359
where: short stacking energy: -131.932
Base-Backbone interact. energy: 1.476
local terms energy: -153.745875
where:
bonds (distance) C4'-P energy: -32.182
bonds (distance) P-C4' energy: -29.612
flat angles C4'-P-C4' energy: -32.565
flat angles P-C4'-P energy: -29.627
tors. eta vs tors. theta energy: -29.759
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: 7
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -420.286522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.286522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.286522 (E_RNA)
where:
Base-Base interactions energy: -277.382
where: short stacking energy: -128.431
Base-Backbone interact. energy: -1.681
local terms energy: -141.224127
where:
bonds (distance) C4'-P energy: -32.759
bonds (distance) P-C4' energy: -26.189
flat angles C4'-P-C4' energy: -34.230
flat angles P-C4'-P energy: -25.033
tors. eta vs tors. theta energy: -23.014
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: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -394.411798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.411798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.411798 (E_RNA)
where:
Base-Base interactions energy: -257.976
where: short stacking energy: -116.139
Base-Backbone interact. energy: -0.323
local terms energy: -136.112908
where:
bonds (distance) C4'-P energy: -34.155
bonds (distance) P-C4' energy: -27.330
flat angles C4'-P-C4' energy: -33.057
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -27.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -331.184700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.184700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.184700 (E_RNA)
where:
Base-Base interactions energy: -189.800
where: short stacking energy: -95.298
Base-Backbone interact. energy: -0.417
local terms energy: -140.967793
where:
bonds (distance) C4'-P energy: -30.264
bonds (distance) P-C4' energy: -32.638
flat angles C4'-P-C4' energy: -32.296
flat angles P-C4'-P energy: -23.364
tors. eta vs tors. theta energy: -22.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -223.487877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.487877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.487877 (E_RNA)
where:
Base-Base interactions energy: -107.058
where: short stacking energy: -54.854
Base-Backbone interact. energy: -0.462
local terms energy: -115.968003
where:
bonds (distance) C4'-P energy: -31.692
bonds (distance) P-C4' energy: -36.947
flat angles C4'-P-C4' energy: -30.289
flat angles P-C4'-P energy: -16.869
tors. eta vs tors. theta energy: -0.172
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: 9
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -622.634204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.634204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.634204 (E_RNA)
where:
Base-Base interactions energy: -431.647
where: short stacking energy: -190.959
Base-Backbone interact. energy: -0.349
local terms energy: -190.637951
where:
bonds (distance) C4'-P energy: -33.522
bonds (distance) P-C4' energy: -30.825
flat angles C4'-P-C4' energy: -38.878
flat angles P-C4'-P energy: -32.361
tors. eta vs tors. theta energy: -55.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -574.871379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.871379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.871379 (E_RNA)
where:
Base-Base interactions energy: -406.246
where: short stacking energy: -168.040
Base-Backbone interact. energy: -0.569
local terms energy: -168.055729
where:
bonds (distance) C4'-P energy: -26.518
bonds (distance) P-C4' energy: -38.059
flat angles C4'-P-C4' energy: -35.232
flat angles P-C4'-P energy: -25.073
tors. eta vs tors. theta energy: -43.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -595.291433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.291433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.291433 (E_RNA)
where:
Base-Base interactions energy: -423.563
where: short stacking energy: -172.024
Base-Backbone interact. energy: 4.722
local terms energy: -176.450189
where:
bonds (distance) C4'-P energy: -29.626
bonds (distance) P-C4' energy: -37.220
flat angles C4'-P-C4' energy: -36.335
flat angles P-C4'-P energy: -30.266
tors. eta vs tors. theta energy: -43.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -571.319873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.319873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.319873 (E_RNA)
where:
Base-Base interactions energy: -414.641
where: short stacking energy: -168.440
Base-Backbone interact. energy: -1.333
local terms energy: -155.345202
where:
bonds (distance) C4'-P energy: -30.721
bonds (distance) P-C4' energy: -26.759
flat angles C4'-P-C4' energy: -34.585
flat angles P-C4'-P energy: -21.361
tors. eta vs tors. theta energy: -41.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -512.680486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.680486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.680486 (E_RNA)
where:
Base-Base interactions energy: -364.243
where: short stacking energy: -144.946
Base-Backbone interact. energy: -0.288
local terms energy: -148.149912
where:
bonds (distance) C4'-P energy: -29.624
bonds (distance) P-C4' energy: -30.173
flat angles C4'-P-C4' energy: -30.616
flat angles P-C4'-P energy: -20.633
tors. eta vs tors. theta energy: -37.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -514.051786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.051786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.051786 (E_RNA)
where:
Base-Base interactions energy: -367.749
where: short stacking energy: -160.115
Base-Backbone interact. energy: -0.491
local terms energy: -145.812389
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -28.036
flat angles C4'-P-C4' energy: -35.379
flat angles P-C4'-P energy: -26.651
tors. eta vs tors. theta energy: -38.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -450.438832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.438832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.438832 (E_RNA)
where:
Base-Base interactions energy: -308.881
where: short stacking energy: -140.152
Base-Backbone interact. energy: 0.724
local terms energy: -142.281308
where:
bonds (distance) C4'-P energy: -26.433
bonds (distance) P-C4' energy: -27.028
flat angles C4'-P-C4' energy: -31.603
flat angles P-C4'-P energy: -19.834
tors. eta vs tors. theta energy: -37.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -359.201602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.201602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.201602 (E_RNA)
where:
Base-Base interactions energy: -221.242
where: short stacking energy: -116.228
Base-Backbone interact. energy: -0.644
local terms energy: -137.315733
where:
bonds (distance) C4'-P energy: -26.281
bonds (distance) P-C4' energy: -39.838
flat angles C4'-P-C4' energy: -36.494
flat angles P-C4'-P energy: -13.662
tors. eta vs tors. theta energy: -21.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -336.102649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.102649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.102649 (E_RNA)
where:
Base-Base interactions energy: -214.657
where: short stacking energy: -96.513
Base-Backbone interact. energy: -0.764
local terms energy: -120.681724
where:
bonds (distance) C4'-P energy: -30.590
bonds (distance) P-C4' energy: -27.547
flat angles C4'-P-C4' energy: -25.434
flat angles P-C4'-P energy: -15.620
tors. eta vs tors. theta energy: -21.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -243.786869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.786869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.786869 (E_RNA)
where:
Base-Base interactions energy: -114.428
where: short stacking energy: -66.467
Base-Backbone interact. energy: -1.616
local terms energy: -127.742789
where:
bonds (distance) C4'-P energy: -27.816
bonds (distance) P-C4' energy: -34.655
flat angles C4'-P-C4' energy: -35.210
flat angles P-C4'-P energy: -17.014
tors. eta vs tors. theta energy: -13.047
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: 9
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -614.188300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.188300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.188300 (E_RNA)
where:
Base-Base interactions energy: -422.618
where: short stacking energy: -189.947
Base-Backbone interact. energy: -0.076
local terms energy: -191.494398
where:
bonds (distance) C4'-P energy: -38.219
bonds (distance) P-C4' energy: -31.801
flat angles C4'-P-C4' energy: -39.892
flat angles P-C4'-P energy: -26.961
tors. eta vs tors. theta energy: -54.622
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: 1
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -585.154172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.154172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.154172 (E_RNA)
where:
Base-Base interactions energy: -411.560
where: short stacking energy: -175.139
Base-Backbone interact. energy: -1.831
local terms energy: -171.763291
where:
bonds (distance) C4'-P energy: -33.361
bonds (distance) P-C4' energy: -32.744
flat angles C4'-P-C4' energy: -34.106
flat angles P-C4'-P energy: -25.137
tors. eta vs tors. theta energy: -46.415
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: 3, replica: 8
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -588.236243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.236243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.236243 (E_RNA)
where:
Base-Base interactions energy: -420.994
where: short stacking energy: -166.725
Base-Backbone interact. energy: 1.029
local terms energy: -168.271487
where:
bonds (distance) C4'-P energy: -27.378
bonds (distance) P-C4' energy: -36.188
flat angles C4'-P-C4' energy: -32.034
flat angles P-C4'-P energy: -28.558
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: 4, replica: 2
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -580.017744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.017744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.017744 (E_RNA)
where:
Base-Base interactions energy: -417.929
where: short stacking energy: -177.144
Base-Backbone interact. energy: -1.729
local terms energy: -160.359326
where:
bonds (distance) C4'-P energy: -36.494
bonds (distance) P-C4' energy: -27.008
flat angles C4'-P-C4' energy: -30.415
flat angles P-C4'-P energy: -26.195
tors. eta vs tors. theta energy: -40.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -498.052909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.052909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.052909 (E_RNA)
where:
Base-Base interactions energy: -340.353
where: short stacking energy: -152.435
Base-Backbone interact. energy: -0.972
local terms energy: -156.727391
where:
bonds (distance) C4'-P energy: -28.158
bonds (distance) P-C4' energy: -26.474
flat angles C4'-P-C4' energy: -36.957
flat angles P-C4'-P energy: -24.250
tors. eta vs tors. theta energy: -40.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -506.127051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.127051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.127051 (E_RNA)
where:
Base-Base interactions energy: -362.744
where: short stacking energy: -151.172
Base-Backbone interact. energy: -0.706
local terms energy: -142.676502
where:
bonds (distance) C4'-P energy: -27.274
bonds (distance) P-C4' energy: -25.395
flat angles C4'-P-C4' energy: -31.808
flat angles P-C4'-P energy: -17.843
tors. eta vs tors. theta energy: -40.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -469.356373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.356373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.356373 (E_RNA)
where:
Base-Base interactions energy: -315.394
where: short stacking energy: -145.055
Base-Backbone interact. energy: 0.563
local terms energy: -154.525337
where:
bonds (distance) C4'-P energy: -29.941
bonds (distance) P-C4' energy: -32.322
flat angles C4'-P-C4' energy: -36.073
flat angles P-C4'-P energy: -19.077
tors. eta vs tors. theta energy: -37.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -336.516491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.516491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.516491 (E_RNA)
where:
Base-Base interactions energy: -207.332
where: short stacking energy: -102.695
Base-Backbone interact. energy: 2.339
local terms energy: -131.523696
where:
bonds (distance) C4'-P energy: -33.593
bonds (distance) P-C4' energy: -25.517
flat angles C4'-P-C4' energy: -35.920
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -24.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -289.047977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.047977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.047977 (E_RNA)
where:
Base-Base interactions energy: -173.690
where: short stacking energy: -85.794
Base-Backbone interact. energy: 1.704
local terms energy: -117.062298
where:
bonds (distance) C4'-P energy: -28.087
bonds (distance) P-C4' energy: -30.833
flat angles C4'-P-C4' energy: -28.944
flat angles P-C4'-P energy: -16.593
tors. eta vs tors. theta energy: -12.606
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: 3
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -227.346011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.346011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.346011 (E_RNA)
where:
Base-Base interactions energy: -108.788
where: short stacking energy: -61.452
Base-Backbone interact. energy: -1.075
local terms energy: -117.482985
where:
bonds (distance) C4'-P energy: -34.167
bonds (distance) P-C4' energy: -35.131
flat angles C4'-P-C4' energy: -20.655
flat angles P-C4'-P energy: -14.078
tors. eta vs tors. theta energy: -13.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -611.162536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.162536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.162536 (E_RNA)
where:
Base-Base interactions energy: -427.999
where: short stacking energy: -194.628
Base-Backbone interact. energy: -0.048
local terms energy: -183.115166
where:
bonds (distance) C4'-P energy: -30.941
bonds (distance) P-C4' energy: -31.137
flat angles C4'-P-C4' energy: -40.638
flat angles P-C4'-P energy: -28.526
tors. eta vs tors. theta energy: -51.873
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: 8
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -586.130455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.130455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.130455 (E_RNA)
where:
Base-Base interactions energy: -416.484
where: short stacking energy: -159.531
Base-Backbone interact. energy: 0.866
local terms energy: -170.512086
where:
bonds (distance) C4'-P energy: -34.580
bonds (distance) P-C4' energy: -35.616
flat angles C4'-P-C4' energy: -30.847
flat angles P-C4'-P energy: -28.697
tors. eta vs tors. theta energy: -40.772
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: 1
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -565.994252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.994252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.994252 (E_RNA)
where:
Base-Base interactions energy: -386.241
where: short stacking energy: -152.622
Base-Backbone interact. energy: -2.060
local terms energy: -177.693271
where:
bonds (distance) C4'-P energy: -36.944
bonds (distance) P-C4' energy: -37.235
flat angles C4'-P-C4' energy: -34.519
flat angles P-C4'-P energy: -23.661
tors. eta vs tors. theta energy: -45.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -581.732570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.732570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.732570 (E_RNA)
where:
Base-Base interactions energy: -410.522
where: short stacking energy: -169.928
Base-Backbone interact. energy: -2.169
local terms energy: -169.041837
where:
bonds (distance) C4'-P energy: -26.970
bonds (distance) P-C4' energy: -32.843
flat angles C4'-P-C4' energy: -32.442
flat angles P-C4'-P energy: -28.073
tors. eta vs tors. theta energy: -48.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -503.909606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.909606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.909606 (E_RNA)
where:
Base-Base interactions energy: -361.596
where: short stacking energy: -162.652
Base-Backbone interact. energy: 1.000
local terms energy: -143.313479
where:
bonds (distance) C4'-P energy: -32.272
bonds (distance) P-C4' energy: -20.861
flat angles C4'-P-C4' energy: -30.953
flat angles P-C4'-P energy: -21.678
tors. eta vs tors. theta energy: -37.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -505.123561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.123561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.123561 (E_RNA)
where:
Base-Base interactions energy: -349.566
where: short stacking energy: -155.255
Base-Backbone interact. energy: -0.584
local terms energy: -154.973909
where:
bonds (distance) C4'-P energy: -28.407
bonds (distance) P-C4' energy: -32.280
flat angles C4'-P-C4' energy: -40.166
flat angles P-C4'-P energy: -15.310
tors. eta vs tors. theta energy: -38.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -459.626001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.626001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.626001 (E_RNA)
where:
Base-Base interactions energy: -308.136
where: short stacking energy: -128.212
Base-Backbone interact. energy: -0.814
local terms energy: -150.675782
where:
bonds (distance) C4'-P energy: -29.465
bonds (distance) P-C4' energy: -33.881
flat angles C4'-P-C4' energy: -34.423
flat angles P-C4'-P energy: -21.169
tors. eta vs tors. theta energy: -31.738
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: 10
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -374.837913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.837913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.837913 (E_RNA)
where:
Base-Base interactions energy: -229.699
where: short stacking energy: -121.469
Base-Backbone interact. energy: -0.067
local terms energy: -145.071653
where:
bonds (distance) C4'-P energy: -30.762
bonds (distance) P-C4' energy: -36.193
flat angles C4'-P-C4' energy: -23.682
flat angles P-C4'-P energy: -25.464
tors. eta vs tors. theta energy: -28.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -299.078800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.078800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.078800 (E_RNA)
where:
Base-Base interactions energy: -193.650
where: short stacking energy: -85.490
Base-Backbone interact. energy: -1.165
local terms energy: -104.263732
where:
bonds (distance) C4'-P energy: -24.045
bonds (distance) P-C4' energy: -34.739
flat angles C4'-P-C4' energy: -25.927
flat angles P-C4'-P energy: -13.220
tors. eta vs tors. theta energy: -6.333
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: 241
Temperature: 1.350000
Total energy: -229.851411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.851411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.851411 (E_RNA)
where:
Base-Base interactions energy: -128.275
where: short stacking energy: -78.441
Base-Backbone interact. energy: 0.851
local terms energy: -102.427879
where:
bonds (distance) C4'-P energy: -31.025
bonds (distance) P-C4' energy: -30.267
flat angles C4'-P-C4' energy: -20.296
flat angles P-C4'-P energy: -16.562
tors. eta vs tors. theta energy: -4.278
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: 9
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -607.561351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.561351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.561351 (E_RNA)
where:
Base-Base interactions energy: -411.704
where: short stacking energy: -183.117
Base-Backbone interact. energy: 0.860
local terms energy: -196.717076
where:
bonds (distance) C4'-P energy: -34.722
bonds (distance) P-C4' energy: -36.890
flat angles C4'-P-C4' energy: -41.425
flat angles P-C4'-P energy: -30.793
tors. eta vs tors. theta energy: -52.887
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: 2, replica: 8
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -599.120670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.120670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.120670 (E_RNA)
where:
Base-Base interactions energy: -427.596
where: short stacking energy: -177.257
Base-Backbone interact. energy: 4.853
local terms energy: -176.377928
where:
bonds (distance) C4'-P energy: -32.402
bonds (distance) P-C4' energy: -36.634
flat angles C4'-P-C4' energy: -39.965
flat angles P-C4'-P energy: -22.466
tors. eta vs tors. theta energy: -44.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -614.954831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.954831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.954831 (E_RNA)
where:
Base-Base interactions energy: -430.352
where: short stacking energy: -178.284
Base-Backbone interact. energy: -0.980
local terms energy: -183.622620
where:
bonds (distance) C4'-P energy: -33.347
bonds (distance) P-C4' energy: -29.889
flat angles C4'-P-C4' energy: -40.110
flat angles P-C4'-P energy: -30.762
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: 1
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -559.799586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.799586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.799586 (E_RNA)
where:
Base-Base interactions energy: -397.769
where: short stacking energy: -148.394
Base-Backbone interact. energy: 0.185
local terms energy: -162.215681
where:
bonds (distance) C4'-P energy: -32.797
bonds (distance) P-C4' energy: -26.904
flat angles C4'-P-C4' energy: -37.210
flat angles P-C4'-P energy: -26.885
tors. eta vs tors. theta energy: -38.419
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: 5
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -526.499845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.499845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.499845 (E_RNA)
where:
Base-Base interactions energy: -363.188
where: short stacking energy: -153.610
Base-Backbone interact. energy: -0.953
local terms energy: -162.359357
where:
bonds (distance) C4'-P energy: -31.935
bonds (distance) P-C4' energy: -32.263
flat angles C4'-P-C4' energy: -36.807
flat angles P-C4'-P energy: -21.037
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: 6, replica: 4
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -497.712243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.712243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.712243 (E_RNA)
where:
Base-Base interactions energy: -346.976
where: short stacking energy: -162.081
Base-Backbone interact. energy: -0.206
local terms energy: -150.530443
where:
bonds (distance) C4'-P energy: -30.590
bonds (distance) P-C4' energy: -32.340
flat angles C4'-P-C4' energy: -28.464
flat angles P-C4'-P energy: -24.831
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: 7, replica: 10
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -375.519985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.519985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.519985 (E_RNA)
where:
Base-Base interactions energy: -235.203
where: short stacking energy: -113.291
Base-Backbone interact. energy: 0.375
local terms energy: -140.692293
where:
bonds (distance) C4'-P energy: -29.621
bonds (distance) P-C4' energy: -34.381
flat angles C4'-P-C4' energy: -31.728
flat angles P-C4'-P energy: -20.281
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: 8, replica: 7
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -446.462753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.462753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.462753 (E_RNA)
where:
Base-Base interactions energy: -302.699
where: short stacking energy: -129.106
Base-Backbone interact. energy: -0.311
local terms energy: -143.451996
where:
bonds (distance) C4'-P energy: -27.353
bonds (distance) P-C4' energy: -28.515
flat angles C4'-P-C4' energy: -27.135
flat angles P-C4'-P energy: -27.240
tors. eta vs tors. theta energy: -33.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -344.458337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.458337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.458337 (E_RNA)
where:
Base-Base interactions energy: -205.680
where: short stacking energy: -104.030
Base-Backbone interact. energy: -1.036
local terms energy: -137.741836
where:
bonds (distance) C4'-P energy: -27.266
bonds (distance) P-C4' energy: -30.943
flat angles C4'-P-C4' energy: -35.106
flat angles P-C4'-P energy: -23.666
tors. eta vs tors. theta energy: -20.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -213.631366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.631366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.631366 (E_RNA)
where:
Base-Base interactions energy: -109.408
where: short stacking energy: -57.303
Base-Backbone interact. energy: -1.388
local terms energy: -102.835173
where:
bonds (distance) C4'-P energy: -24.586
bonds (distance) P-C4' energy: -32.347
flat angles C4'-P-C4' energy: -27.162
flat angles P-C4'-P energy: -17.245
tors. eta vs tors. theta energy: -1.495
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: 9
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -608.995297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.995297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.995297 (E_RNA)
where:
Base-Base interactions energy: -426.085
where: short stacking energy: -190.144
Base-Backbone interact. energy: -0.738
local terms energy: -182.172028
where:
bonds (distance) C4'-P energy: -29.545
bonds (distance) P-C4' energy: -34.176
flat angles C4'-P-C4' energy: -36.833
flat angles P-C4'-P energy: -26.781
tors. eta vs tors. theta energy: -54.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -602.215896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.215896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.215896 (E_RNA)
where:
Base-Base interactions energy: -421.380
where: short stacking energy: -163.151
Base-Backbone interact. energy: -1.995
local terms energy: -178.840931
where:
bonds (distance) C4'-P energy: -36.167
bonds (distance) P-C4' energy: -34.885
flat angles C4'-P-C4' energy: -37.368
flat angles P-C4'-P energy: -26.366
tors. eta vs tors. theta energy: -44.056
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: 8
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -578.584975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.584975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.584975 (E_RNA)
where:
Base-Base interactions energy: -401.794
where: short stacking energy: -167.138
Base-Backbone interact. energy: 2.844
local terms energy: -179.635412
where:
bonds (distance) C4'-P energy: -36.464
bonds (distance) P-C4' energy: -36.901
flat angles C4'-P-C4' energy: -35.386
flat angles P-C4'-P energy: -24.398
tors. eta vs tors. theta energy: -46.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -554.739930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.739930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.739930 (E_RNA)
where:
Base-Base interactions energy: -392.605
where: short stacking energy: -144.219
Base-Backbone interact. energy: -0.437
local terms energy: -161.698169
where:
bonds (distance) C4'-P energy: -35.435
bonds (distance) P-C4' energy: -32.448
flat angles C4'-P-C4' energy: -33.874
flat angles P-C4'-P energy: -23.955
tors. eta vs tors. theta energy: -35.986
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: 243
Temperature: 1.100000
Total energy: -528.780975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.780975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.780975 (E_RNA)
where:
Base-Base interactions energy: -361.089
where: short stacking energy: -143.721
Base-Backbone interact. energy: -0.556
local terms energy: -167.136830
where:
bonds (distance) C4'-P energy: -29.271
bonds (distance) P-C4' energy: -32.378
flat angles C4'-P-C4' energy: -33.410
flat angles P-C4'-P energy: -27.531
tors. eta vs tors. theta energy: -44.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -479.179713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.179713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.179713 (E_RNA)
where:
Base-Base interactions energy: -329.972
where: short stacking energy: -145.363
Base-Backbone interact. energy: -0.166
local terms energy: -149.041070
where:
bonds (distance) C4'-P energy: -31.954
bonds (distance) P-C4' energy: -25.743
flat angles C4'-P-C4' energy: -36.511
flat angles P-C4'-P energy: -19.918
tors. eta vs tors. theta energy: -34.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -359.110902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.110902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.110902 (E_RNA)
where:
Base-Base interactions energy: -223.604
where: short stacking energy: -114.331
Base-Backbone interact. energy: -0.630
local terms energy: -134.877584
where:
bonds (distance) C4'-P energy: -24.216
bonds (distance) P-C4' energy: -33.711
flat angles C4'-P-C4' energy: -35.149
flat angles P-C4'-P energy: -19.667
tors. eta vs tors. theta energy: -22.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -449.533112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.533112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.533112 (E_RNA)
where:
Base-Base interactions energy: -319.780
where: short stacking energy: -124.362
Base-Backbone interact. energy: 1.455
local terms energy: -131.207804
where:
bonds (distance) C4'-P energy: -29.440
bonds (distance) P-C4' energy: -22.020
flat angles C4'-P-C4' energy: -31.887
flat angles P-C4'-P energy: -19.999
tors. eta vs tors. theta energy: -27.863
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: 6
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -299.810246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.810246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.810246 (E_RNA)
where:
Base-Base interactions energy: -175.705
where: short stacking energy: -83.280
Base-Backbone interact. energy: -0.673
local terms energy: -123.432035
where:
bonds (distance) C4'-P energy: -29.824
bonds (distance) P-C4' energy: -33.211
flat angles C4'-P-C4' energy: -23.399
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -22.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -237.489899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.489899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.489899 (E_RNA)
where:
Base-Base interactions energy: -139.949
where: short stacking energy: -67.091
Base-Backbone interact. energy: 0.576
local terms energy: -98.116071
where:
bonds (distance) C4'-P energy: -24.219
bonds (distance) P-C4' energy: -28.259
flat angles C4'-P-C4' energy: -28.934
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -7.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -611.095513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.095513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.095513 (E_RNA)
where:
Base-Base interactions energy: -427.321
where: short stacking energy: -177.587
Base-Backbone interact. energy: 1.947
local terms energy: -185.721247
where:
bonds (distance) C4'-P energy: -35.488
bonds (distance) P-C4' energy: -41.187
flat angles C4'-P-C4' energy: -36.073
flat angles P-C4'-P energy: -22.724
tors. eta vs tors. theta energy: -50.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -600.960324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.960324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.960324 (E_RNA)
where:
Base-Base interactions energy: -414.794
where: short stacking energy: -186.974
Base-Backbone interact. energy: -1.469
local terms energy: -184.697890
where:
bonds (distance) C4'-P energy: -28.506
bonds (distance) P-C4' energy: -35.385
flat angles C4'-P-C4' energy: -38.996
flat angles P-C4'-P energy: -26.035
tors. eta vs tors. theta energy: -55.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -576.736621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.736621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.736621 (E_RNA)
where:
Base-Base interactions energy: -401.955
where: short stacking energy: -160.652
Base-Backbone interact. energy: -1.131
local terms energy: -173.651025
where:
bonds (distance) C4'-P energy: -31.393
bonds (distance) P-C4' energy: -32.408
flat angles C4'-P-C4' energy: -32.932
flat angles P-C4'-P energy: -28.940
tors. eta vs tors. theta energy: -47.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -563.902121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.902121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.902121 (E_RNA)
where:
Base-Base interactions energy: -385.164
where: short stacking energy: -156.484
Base-Backbone interact. energy: -0.997
local terms energy: -177.740607
where:
bonds (distance) C4'-P energy: -34.767
bonds (distance) P-C4' energy: -35.462
flat angles C4'-P-C4' energy: -37.017
flat angles P-C4'-P energy: -27.968
tors. eta vs tors. theta energy: -42.527
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: 5
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -526.085409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.085409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.085409 (E_RNA)
where:
Base-Base interactions energy: -373.068
where: short stacking energy: -154.420
Base-Backbone interact. energy: -0.988
local terms energy: -152.029875
where:
bonds (distance) C4'-P energy: -32.247
bonds (distance) P-C4' energy: -21.964
flat angles C4'-P-C4' energy: -33.726
flat angles P-C4'-P energy: -21.623
tors. eta vs tors. theta energy: -42.470
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: 4
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -484.137677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.137677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.137677 (E_RNA)
where:
Base-Base interactions energy: -331.828
where: short stacking energy: -139.304
Base-Backbone interact. energy: 0.413
local terms energy: -152.723014
where:
bonds (distance) C4'-P energy: -36.319
bonds (distance) P-C4' energy: -29.683
flat angles C4'-P-C4' energy: -34.007
flat angles P-C4'-P energy: -22.484
tors. eta vs tors. theta energy: -30.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -433.672880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.672880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.672880 (E_RNA)
where:
Base-Base interactions energy: -303.102
where: short stacking energy: -128.180
Base-Backbone interact. energy: -0.051
local terms energy: -130.520448
where:
bonds (distance) C4'-P energy: -27.492
bonds (distance) P-C4' energy: -24.583
flat angles C4'-P-C4' energy: -30.646
flat angles P-C4'-P energy: -19.396
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: 8, replica: 10
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -351.711885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.711885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.711885 (E_RNA)
where:
Base-Base interactions energy: -216.367
where: short stacking energy: -96.522
Base-Backbone interact. energy: -1.102
local terms energy: -134.242743
where:
bonds (distance) C4'-P energy: -26.245
bonds (distance) P-C4' energy: -37.209
flat angles C4'-P-C4' energy: -25.440
flat angles P-C4'-P energy: -22.963
tors. eta vs tors. theta energy: -22.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -319.635292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.635292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.635292 (E_RNA)
where:
Base-Base interactions energy: -210.657
where: short stacking energy: -87.960
Base-Backbone interact. energy: -0.718
local terms energy: -108.259742
where:
bonds (distance) C4'-P energy: -23.848
bonds (distance) P-C4' energy: -33.276
flat angles C4'-P-C4' energy: -26.501
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -13.486
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: 244
Temperature: 1.350000
Total energy: -261.260942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.260942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.260942 (E_RNA)
where:
Base-Base interactions energy: -152.247
where: short stacking energy: -67.572
Base-Backbone interact. energy: -1.962
local terms energy: -107.051960
where:
bonds (distance) C4'-P energy: -35.777
bonds (distance) P-C4' energy: -25.314
flat angles C4'-P-C4' energy: -30.910
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -4.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -624.735465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.735465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.735465 (E_RNA)
where:
Base-Base interactions energy: -435.814
where: short stacking energy: -179.339
Base-Backbone interact. energy: -0.161
local terms energy: -188.759857
where:
bonds (distance) C4'-P energy: -36.877
bonds (distance) P-C4' energy: -33.135
flat angles C4'-P-C4' energy: -40.516
flat angles P-C4'-P energy: -30.384
tors. eta vs tors. theta energy: -47.848
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: 1
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -608.768349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.768349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.768349 (E_RNA)
where:
Base-Base interactions energy: -434.664
where: short stacking energy: -166.789
Base-Backbone interact. energy: -1.650
local terms energy: -172.454768
where:
bonds (distance) C4'-P energy: -29.074
bonds (distance) P-C4' energy: -36.177
flat angles C4'-P-C4' energy: -38.792
flat angles P-C4'-P energy: -25.298
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: 3, replica: 9
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -576.993736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.993736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.993736 (E_RNA)
where:
Base-Base interactions energy: -398.673
where: short stacking energy: -179.897
Base-Backbone interact. energy: -0.806
local terms energy: -177.514292
where:
bonds (distance) C4'-P energy: -28.972
bonds (distance) P-C4' energy: -35.672
flat angles C4'-P-C4' energy: -33.728
flat angles P-C4'-P energy: -24.773
tors. eta vs tors. theta energy: -54.369
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: 8
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -548.727691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.727691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.727691 (E_RNA)
where:
Base-Base interactions energy: -391.280
where: short stacking energy: -158.362
Base-Backbone interact. energy: 7.334
local terms energy: -164.781843
where:
bonds (distance) C4'-P energy: -28.863
bonds (distance) P-C4' energy: -31.202
flat angles C4'-P-C4' energy: -39.328
flat angles P-C4'-P energy: -24.666
tors. eta vs tors. theta energy: -40.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -498.584197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.584197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.584197 (E_RNA)
where:
Base-Base interactions energy: -346.122
where: short stacking energy: -158.562
Base-Backbone interact. energy: 9.278
local terms energy: -161.740906
where:
bonds (distance) C4'-P energy: -36.098
bonds (distance) P-C4' energy: -33.862
flat angles C4'-P-C4' energy: -31.037
flat angles P-C4'-P energy: -22.600
tors. eta vs tors. theta energy: -38.143
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: 4
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -471.896570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.896570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.896570 (E_RNA)
where:
Base-Base interactions energy: -320.721
where: short stacking energy: -138.919
Base-Backbone interact. energy: -0.750
local terms energy: -150.426359
where:
bonds (distance) C4'-P energy: -26.815
bonds (distance) P-C4' energy: -33.839
flat angles C4'-P-C4' energy: -36.907
flat angles P-C4'-P energy: -21.713
tors. eta vs tors. theta energy: -31.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -431.016449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.016449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.016449 (E_RNA)
where:
Base-Base interactions energy: -271.355
where: short stacking energy: -119.181
Base-Backbone interact. energy: -0.191
local terms energy: -159.470277
where:
bonds (distance) C4'-P energy: -30.130
bonds (distance) P-C4' energy: -36.512
flat angles C4'-P-C4' energy: -37.730
flat angles P-C4'-P energy: -22.365
tors. eta vs tors. theta energy: -32.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -354.167373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.167373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.167373 (E_RNA)
where:
Base-Base interactions energy: -205.369
where: short stacking energy: -104.235
Base-Backbone interact. energy: -0.846
local terms energy: -147.952917
where:
bonds (distance) C4'-P energy: -34.086
bonds (distance) P-C4' energy: -34.487
flat angles C4'-P-C4' energy: -33.300
flat angles P-C4'-P energy: -25.138
tors. eta vs tors. theta energy: -20.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -327.142475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.142475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.142475 (E_RNA)
where:
Base-Base interactions energy: -204.948
where: short stacking energy: -93.038
Base-Backbone interact. energy: -0.764
local terms energy: -121.429943
where:
bonds (distance) C4'-P energy: -21.638
bonds (distance) P-C4' energy: -27.697
flat angles C4'-P-C4' energy: -37.828
flat angles P-C4'-P energy: -18.078
tors. eta vs tors. theta energy: -16.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -270.504124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.504124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.504124 (E_RNA)
where:
Base-Base interactions energy: -159.738
where: short stacking energy: -72.939
Base-Backbone interact. energy: -0.327
local terms energy: -110.438400
where:
bonds (distance) C4'-P energy: -18.199
bonds (distance) P-C4' energy: -27.044
flat angles C4'-P-C4' energy: -34.189
flat angles P-C4'-P energy: -24.213
tors. eta vs tors. theta energy: -6.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -617.727832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.727832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.727832 (E_RNA)
where:
Base-Base interactions energy: -446.353
where: short stacking energy: -186.937
Base-Backbone interact. energy: -0.635
local terms energy: -170.739331
where:
bonds (distance) C4'-P energy: -34.536
bonds (distance) P-C4' energy: -29.968
flat angles C4'-P-C4' energy: -35.934
flat angles P-C4'-P energy: -23.313
tors. eta vs tors. theta energy: -46.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -596.172405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.172405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.172405 (E_RNA)
where:
Base-Base interactions energy: -423.310
where: short stacking energy: -166.284
Base-Backbone interact. energy: -1.429
local terms energy: -171.434290
where:
bonds (distance) C4'-P energy: -36.549
bonds (distance) P-C4' energy: -36.539
flat angles C4'-P-C4' energy: -35.767
flat angles P-C4'-P energy: -19.202
tors. eta vs tors. theta energy: -43.378
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: 9
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -586.588005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.588005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.588005 (E_RNA)
where:
Base-Base interactions energy: -399.911
where: short stacking energy: -178.169
Base-Backbone interact. energy: -0.253
local terms energy: -186.424137
where:
bonds (distance) C4'-P energy: -36.512
bonds (distance) P-C4' energy: -38.473
flat angles C4'-P-C4' energy: -35.721
flat angles P-C4'-P energy: -25.852
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: 246
Temperature: 1.050000
Total energy: -550.813864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.813864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.813864 (E_RNA)
where:
Base-Base interactions energy: -393.486
where: short stacking energy: -154.053
Base-Backbone interact. energy: -0.805
local terms energy: -156.522555
where:
bonds (distance) C4'-P energy: -29.189
bonds (distance) P-C4' energy: -37.834
flat angles C4'-P-C4' energy: -34.057
flat angles P-C4'-P energy: -18.898
tors. eta vs tors. theta energy: -36.545
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: 5, replica: 5
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -512.100546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.100546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.100546 (E_RNA)
where:
Base-Base interactions energy: -344.764
where: short stacking energy: -150.988
Base-Backbone interact. energy: -0.758
local terms energy: -166.578358
where:
bonds (distance) C4'-P energy: -34.284
bonds (distance) P-C4' energy: -35.872
flat angles C4'-P-C4' energy: -30.574
flat angles P-C4'-P energy: -25.070
tors. eta vs tors. theta energy: -40.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -470.631611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.631611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.631611 (E_RNA)
where:
Base-Base interactions energy: -324.108
where: short stacking energy: -151.133
Base-Backbone interact. energy: -0.345
local terms energy: -146.178222
where:
bonds (distance) C4'-P energy: -30.222
bonds (distance) P-C4' energy: -23.296
flat angles C4'-P-C4' energy: -33.211
flat angles P-C4'-P energy: -22.948
tors. eta vs tors. theta energy: -36.501
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: 7
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -479.778512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.778512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.778512 (E_RNA)
where:
Base-Base interactions energy: -325.035
where: short stacking energy: -147.041
Base-Backbone interact. energy: 0.039
local terms energy: -154.783279
where:
bonds (distance) C4'-P energy: -24.323
bonds (distance) P-C4' energy: -31.804
flat angles C4'-P-C4' energy: -34.184
flat angles P-C4'-P energy: -17.485
tors. eta vs tors. theta energy: -46.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -347.930651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.930651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.930651 (E_RNA)
where:
Base-Base interactions energy: -219.466
where: short stacking energy: -104.436
Base-Backbone interact. energy: -1.155
local terms energy: -127.309337
where:
bonds (distance) C4'-P energy: -17.352
bonds (distance) P-C4' energy: -34.134
flat angles C4'-P-C4' energy: -36.959
flat angles P-C4'-P energy: -19.552
tors. eta vs tors. theta energy: -19.313
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: 3
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -241.670499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.670499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.670499 (E_RNA)
where:
Base-Base interactions energy: -132.192
where: short stacking energy: -69.165
Base-Backbone interact. energy: -1.940
local terms energy: -107.538257
where:
bonds (distance) C4'-P energy: -28.251
bonds (distance) P-C4' energy: -26.749
flat angles C4'-P-C4' energy: -24.559
flat angles P-C4'-P energy: -15.355
tors. eta vs tors. theta energy: -12.625
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: 10
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -325.242177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.242177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.242177 (E_RNA)
where:
Base-Base interactions energy: -212.227
where: short stacking energy: -115.452
Base-Backbone interact. energy: -0.250
local terms energy: -112.765522
where:
bonds (distance) C4'-P energy: -25.666
bonds (distance) P-C4' energy: -25.230
flat angles C4'-P-C4' energy: -27.625
flat angles P-C4'-P energy: -15.638
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: 1, replica: 2
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -610.738827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.738827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.738827 (E_RNA)
where:
Base-Base interactions energy: -447.563
where: short stacking energy: -179.294
Base-Backbone interact. energy: 0.308
local terms energy: -163.483974
where:
bonds (distance) C4'-P energy: -29.618
bonds (distance) P-C4' energy: -30.677
flat angles C4'-P-C4' energy: -29.937
flat angles P-C4'-P energy: -25.494
tors. eta vs tors. theta energy: -47.758
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: 9
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -606.529485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.529485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.529485 (E_RNA)
where:
Base-Base interactions energy: -414.927
where: short stacking energy: -194.046
Base-Backbone interact. energy: -0.024
local terms energy: -191.577997
where:
bonds (distance) C4'-P energy: -33.146
bonds (distance) P-C4' energy: -38.414
flat angles C4'-P-C4' energy: -39.994
flat angles P-C4'-P energy: -24.331
tors. eta vs tors. theta energy: -55.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -579.625686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.625686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.625686 (E_RNA)
where:
Base-Base interactions energy: -401.444
where: short stacking energy: -166.228
Base-Backbone interact. energy: -1.151
local terms energy: -177.030921
where:
bonds (distance) C4'-P energy: -33.104
bonds (distance) P-C4' energy: -32.856
flat angles C4'-P-C4' energy: -38.698
flat angles P-C4'-P energy: -25.581
tors. eta vs tors. theta energy: -46.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -562.188002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.188002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.188002 (E_RNA)
where:
Base-Base interactions energy: -400.746
where: short stacking energy: -153.830
Base-Backbone interact. energy: -2.412
local terms energy: -159.030052
where:
bonds (distance) C4'-P energy: -26.457
bonds (distance) P-C4' energy: -30.507
flat angles C4'-P-C4' energy: -31.741
flat angles P-C4'-P energy: -25.681
tors. eta vs tors. theta energy: -44.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -528.642814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.642814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.642814 (E_RNA)
where:
Base-Base interactions energy: -367.576
where: short stacking energy: -152.616
Base-Backbone interact. energy: 0.979
local terms energy: -162.045840
where:
bonds (distance) C4'-P energy: -33.558
bonds (distance) P-C4' energy: -30.552
flat angles C4'-P-C4' energy: -33.029
flat angles P-C4'-P energy: -26.075
tors. eta vs tors. theta energy: -38.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -492.736867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.736867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.736867 (E_RNA)
where:
Base-Base interactions energy: -346.112
where: short stacking energy: -148.882
Base-Backbone interact. energy: -1.071
local terms energy: -145.553008
where:
bonds (distance) C4'-P energy: -24.831
bonds (distance) P-C4' energy: -33.850
flat angles C4'-P-C4' energy: -31.022
flat angles P-C4'-P energy: -15.576
tors. eta vs tors. theta energy: -40.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -440.859994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.859994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.859994 (E_RNA)
where:
Base-Base interactions energy: -305.166
where: short stacking energy: -143.997
Base-Backbone interact. energy: 0.833
local terms energy: -136.526136
where:
bonds (distance) C4'-P energy: -21.266
bonds (distance) P-C4' energy: -25.941
flat angles C4'-P-C4' energy: -36.328
flat angles P-C4'-P energy: -19.902
tors. eta vs tors. theta energy: -33.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -341.237100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.237100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.237100 (E_RNA)
where:
Base-Base interactions energy: -207.566
where: short stacking energy: -89.778
Base-Backbone interact. energy: -2.207
local terms energy: -131.464607
where:
bonds (distance) C4'-P energy: -31.500
bonds (distance) P-C4' energy: -32.694
flat angles C4'-P-C4' energy: -26.897
flat angles P-C4'-P energy: -22.274
tors. eta vs tors. theta energy: -18.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -247.591408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.591408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.591408 (E_RNA)
where:
Base-Base interactions energy: -141.632
where: short stacking energy: -69.418
Base-Backbone interact. energy: -0.122
local terms energy: -105.837534
where:
bonds (distance) C4'-P energy: -26.657
bonds (distance) P-C4' energy: -33.348
flat angles C4'-P-C4' energy: -25.550
flat angles P-C4'-P energy: -15.749
tors. eta vs tors. theta energy: -4.534
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: 10, replica: 10
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -312.690220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.690220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.690220 (E_RNA)
where:
Base-Base interactions energy: -197.430
where: short stacking energy: -90.483
Base-Backbone interact. energy: 1.572
local terms energy: -116.831919
where:
bonds (distance) C4'-P energy: -24.146
bonds (distance) P-C4' energy: -35.266
flat angles C4'-P-C4' energy: -24.688
flat angles P-C4'-P energy: -21.197
tors. eta vs tors. theta energy: -11.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -609.055898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.055898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.055898 (E_RNA)
where:
Base-Base interactions energy: -426.913
where: short stacking energy: -193.851
Base-Backbone interact. energy: -0.853
local terms energy: -181.289431
where:
bonds (distance) C4'-P energy: -27.661
bonds (distance) P-C4' energy: -31.223
flat angles C4'-P-C4' energy: -41.908
flat angles P-C4'-P energy: -27.209
tors. eta vs tors. theta energy: -53.288
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: 248
Temperature: 0.950000
Total energy: -605.101485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.101485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.101485 (E_RNA)
where:
Base-Base interactions energy: -436.605
where: short stacking energy: -176.032
Base-Backbone interact. energy: -1.977
local terms energy: -166.519765
where:
bonds (distance) C4'-P energy: -29.763
bonds (distance) P-C4' energy: -30.075
flat angles C4'-P-C4' energy: -37.914
flat angles P-C4'-P energy: -22.543
tors. eta vs tors. theta energy: -46.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -564.324701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.324701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.324701 (E_RNA)
where:
Base-Base interactions energy: -393.028
where: short stacking energy: -158.895
Base-Backbone interact. energy: -0.338
local terms energy: -170.958576
where:
bonds (distance) C4'-P energy: -34.490
bonds (distance) P-C4' energy: -35.786
flat angles C4'-P-C4' energy: -38.024
flat angles P-C4'-P energy: -26.668
tors. eta vs tors. theta energy: -35.992
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: 248
Temperature: 1.050000
Total energy: -563.240588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.240588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.240588 (E_RNA)
where:
Base-Base interactions energy: -389.419
where: short stacking energy: -155.045
Base-Backbone interact. energy: -0.705
local terms energy: -173.116819
where:
bonds (distance) C4'-P energy: -38.435
bonds (distance) P-C4' energy: -34.298
flat angles C4'-P-C4' energy: -29.956
flat angles P-C4'-P energy: -30.375
tors. eta vs tors. theta energy: -40.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -511.446996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.446996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.446996 (E_RNA)
where:
Base-Base interactions energy: -345.675
where: short stacking energy: -148.804
Base-Backbone interact. energy: -0.400
local terms energy: -165.372803
where:
bonds (distance) C4'-P energy: -32.875
bonds (distance) P-C4' energy: -34.529
flat angles C4'-P-C4' energy: -34.747
flat angles P-C4'-P energy: -22.001
tors. eta vs tors. theta energy: -41.221
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: 248
Temperature: 1.150000
Total energy: -485.518178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.518178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.518178 (E_RNA)
where:
Base-Base interactions energy: -348.216
where: short stacking energy: -145.494
Base-Backbone interact. energy: -0.639
local terms energy: -136.663221
where:
bonds (distance) C4'-P energy: -30.425
bonds (distance) P-C4' energy: -28.760
flat angles C4'-P-C4' energy: -26.196
flat angles P-C4'-P energy: -15.491
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: 7, replica: 4
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -429.424795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.424795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.424795 (E_RNA)
where:
Base-Base interactions energy: -298.832
where: short stacking energy: -136.100
Base-Backbone interact. energy: -0.746
local terms energy: -129.846907
where:
bonds (distance) C4'-P energy: -22.273
bonds (distance) P-C4' energy: -23.631
flat angles C4'-P-C4' energy: -25.763
flat angles P-C4'-P energy: -23.310
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: 8, replica: 6
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -321.900854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.900854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.900854 (E_RNA)
where:
Base-Base interactions energy: -198.831
where: short stacking energy: -97.980
Base-Backbone interact. energy: -0.997
local terms energy: -122.073031
where:
bonds (distance) C4'-P energy: -21.515
bonds (distance) P-C4' energy: -33.109
flat angles C4'-P-C4' energy: -25.308
flat angles P-C4'-P energy: -23.008
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: 9, replica: 10
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -328.552497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.552497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.552497 (E_RNA)
where:
Base-Base interactions energy: -215.275
where: short stacking energy: -91.634
Base-Backbone interact. energy: 1.268
local terms energy: -114.545530
where:
bonds (distance) C4'-P energy: -30.758
bonds (distance) P-C4' energy: -26.493
flat angles C4'-P-C4' energy: -25.899
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -19.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -227.248490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.248490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.248490 (E_RNA)
where:
Base-Base interactions energy: -113.983
where: short stacking energy: -71.581
Base-Backbone interact. energy: -0.113
local terms energy: -113.152592
where:
bonds (distance) C4'-P energy: -26.527
bonds (distance) P-C4' energy: -29.308
flat angles C4'-P-C4' energy: -27.698
flat angles P-C4'-P energy: -20.355
tors. eta vs tors. theta energy: -9.264
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: 1, replica: 9
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -609.836214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.836214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.836214 (E_RNA)
where:
Base-Base interactions energy: -415.655
where: short stacking energy: -192.616
Base-Backbone interact. energy: 0.620
local terms energy: -194.801225
where:
bonds (distance) C4'-P energy: -37.606
bonds (distance) P-C4' energy: -35.904
flat angles C4'-P-C4' energy: -35.115
flat angles P-C4'-P energy: -29.755
tors. eta vs tors. theta energy: -56.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -596.587225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.587225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.587225 (E_RNA)
where:
Base-Base interactions energy: -423.628
where: short stacking energy: -163.087
Base-Backbone interact. energy: -1.562
local terms energy: -171.397725
where:
bonds (distance) C4'-P energy: -36.384
bonds (distance) P-C4' energy: -29.600
flat angles C4'-P-C4' energy: -35.019
flat angles P-C4'-P energy: -26.728
tors. eta vs tors. theta energy: -43.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -579.340857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.340857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.340857 (E_RNA)
where:
Base-Base interactions energy: -408.158
where: short stacking energy: -176.379
Base-Backbone interact. energy: -1.067
local terms energy: -170.115990
where:
bonds (distance) C4'-P energy: -29.981
bonds (distance) P-C4' energy: -32.668
flat angles C4'-P-C4' energy: -35.881
flat angles P-C4'-P energy: -25.361
tors. eta vs tors. theta energy: -46.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -572.097698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.097698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.097698 (E_RNA)
where:
Base-Base interactions energy: -401.466
where: short stacking energy: -153.270
Base-Backbone interact. energy: -1.344
local terms energy: -169.287794
where:
bonds (distance) C4'-P energy: -31.471
bonds (distance) P-C4' energy: -31.608
flat angles C4'-P-C4' energy: -35.698
flat angles P-C4'-P energy: -23.339
tors. eta vs tors. theta energy: -47.172
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: 5
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -520.493127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.493127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.493127 (E_RNA)
where:
Base-Base interactions energy: -367.895
where: short stacking energy: -147.267
Base-Backbone interact. energy: -1.668
local terms energy: -150.929460
where:
bonds (distance) C4'-P energy: -30.645
bonds (distance) P-C4' energy: -32.614
flat angles C4'-P-C4' energy: -32.662
flat angles P-C4'-P energy: -20.787
tors. eta vs tors. theta energy: -34.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -536.862735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.862735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.862735 (E_RNA)
where:
Base-Base interactions energy: -357.007
where: short stacking energy: -157.958
Base-Backbone interact. energy: -0.830
local terms energy: -179.025764
where:
bonds (distance) C4'-P energy: -36.413
bonds (distance) P-C4' energy: -33.256
flat angles C4'-P-C4' energy: -39.188
flat angles P-C4'-P energy: -19.581
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: 7, replica: 4
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -434.103328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.103328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.103328 (E_RNA)
where:
Base-Base interactions energy: -307.138
where: short stacking energy: -124.388
Base-Backbone interact. energy: 0.315
local terms energy: -127.279752
where:
bonds (distance) C4'-P energy: -25.794
bonds (distance) P-C4' energy: -23.232
flat angles C4'-P-C4' energy: -31.110
flat angles P-C4'-P energy: -24.210
tors. eta vs tors. theta energy: -22.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -304.187643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.187643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.187643 (E_RNA)
where:
Base-Base interactions energy: -182.255
where: short stacking energy: -83.647
Base-Backbone interact. energy: 0.642
local terms energy: -122.574935
where:
bonds (distance) C4'-P energy: -26.513
bonds (distance) P-C4' energy: -33.875
flat angles C4'-P-C4' energy: -32.876
flat angles P-C4'-P energy: -17.835
tors. eta vs tors. theta energy: -11.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -311.436723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.436723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.436723 (E_RNA)
where:
Base-Base interactions energy: -189.668
where: short stacking energy: -81.298
Base-Backbone interact. energy: 0.779
local terms energy: -122.547909
where:
bonds (distance) C4'-P energy: -29.203
bonds (distance) P-C4' energy: -29.252
flat angles C4'-P-C4' energy: -32.299
flat angles P-C4'-P energy: -18.672
tors. eta vs tors. theta energy: -13.121
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: 3
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -192.990806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.990806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.990806 (E_RNA)
where:
Base-Base interactions energy: -83.865
where: short stacking energy: -49.624
Base-Backbone interact. energy: 0.375
local terms energy: -109.500672
where:
bonds (distance) C4'-P energy: -33.206
bonds (distance) P-C4' energy: -30.997
flat angles C4'-P-C4' energy: -23.995
flat angles P-C4'-P energy: -20.929
tors. eta vs tors. theta energy: -0.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -615.591887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.591887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.591887 (E_RNA)
where:
Base-Base interactions energy: -418.980
where: short stacking energy: -193.887
Base-Backbone interact. energy: -0.872
local terms energy: -195.740632
where:
bonds (distance) C4'-P energy: -35.471
bonds (distance) P-C4' energy: -35.831
flat angles C4'-P-C4' energy: -41.545
flat angles P-C4'-P energy: -28.841
tors. eta vs tors. theta energy: -54.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -605.168676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.168676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.168676 (E_RNA)
where:
Base-Base interactions energy: -432.371
where: short stacking energy: -176.080
Base-Backbone interact. energy: -0.443
local terms energy: -172.354426
where:
bonds (distance) C4'-P energy: -32.726
bonds (distance) P-C4' energy: -27.446
flat angles C4'-P-C4' energy: -37.266
flat angles P-C4'-P energy: -26.593
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: 3, replica: 8
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -573.496259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.496259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.496259 (E_RNA)
where:
Base-Base interactions energy: -418.867
where: short stacking energy: -170.961
Base-Backbone interact. energy: 4.363
local terms energy: -158.992325
where:
bonds (distance) C4'-P energy: -23.438
bonds (distance) P-C4' energy: -31.654
flat angles C4'-P-C4' energy: -37.050
flat angles P-C4'-P energy: -25.711
tors. eta vs tors. theta energy: -41.140
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: 1
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -539.812477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.812477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.812477 (E_RNA)
where:
Base-Base interactions energy: -387.701
where: short stacking energy: -156.706
Base-Backbone interact. energy: -1.148
local terms energy: -150.964108
where:
bonds (distance) C4'-P energy: -28.122
bonds (distance) P-C4' energy: -34.857
flat angles C4'-P-C4' energy: -33.433
flat angles P-C4'-P energy: -15.975
tors. eta vs tors. theta energy: -38.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -528.923859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.923859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.923859 (E_RNA)
where:
Base-Base interactions energy: -362.982
where: short stacking energy: -155.099
Base-Backbone interact. energy: -1.326
local terms energy: -164.614995
where:
bonds (distance) C4'-P energy: -29.730
bonds (distance) P-C4' energy: -35.234
flat angles C4'-P-C4' energy: -41.916
flat angles P-C4'-P energy: -16.680
tors. eta vs tors. theta energy: -41.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -482.483276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.483276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.483276 (E_RNA)
where:
Base-Base interactions energy: -325.863
where: short stacking energy: -145.532
Base-Backbone interact. energy: 1.079
local terms energy: -157.699000
where:
bonds (distance) C4'-P energy: -35.130
bonds (distance) P-C4' energy: -30.621
flat angles C4'-P-C4' energy: -32.935
flat angles P-C4'-P energy: -21.910
tors. eta vs tors. theta energy: -37.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -427.872924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.872924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.872924 (E_RNA)
where:
Base-Base interactions energy: -298.163
where: short stacking energy: -128.922
Base-Backbone interact. energy: -0.495
local terms energy: -129.215655
where:
bonds (distance) C4'-P energy: -32.285
bonds (distance) P-C4' energy: -27.252
flat angles C4'-P-C4' energy: -29.103
flat angles P-C4'-P energy: -16.272
tors. eta vs tors. theta energy: -24.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -319.103748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.103748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.103748 (E_RNA)
where:
Base-Base interactions energy: -189.823
where: short stacking energy: -86.182
Base-Backbone interact. energy: 0.264
local terms energy: -129.544761
where:
bonds (distance) C4'-P energy: -22.899
bonds (distance) P-C4' energy: -36.186
flat angles C4'-P-C4' energy: -37.100
flat angles P-C4'-P energy: -19.176
tors. eta vs tors. theta energy: -14.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -350.641853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.641853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.641853 (E_RNA)
where:
Base-Base interactions energy: -214.659
where: short stacking energy: -106.113
Base-Backbone interact. energy: -0.277
local terms energy: -135.706000
where:
bonds (distance) C4'-P energy: -29.102
bonds (distance) P-C4' energy: -28.621
flat angles C4'-P-C4' energy: -21.967
flat angles P-C4'-P energy: -23.635
tors. eta vs tors. theta energy: -32.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -179.815600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.815600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.815600 (E_RNA)
where:
Base-Base interactions energy: -81.044
where: short stacking energy: -49.155
Base-Backbone interact. energy: -1.095
local terms energy: -97.676975
where:
bonds (distance) C4'-P energy: -25.959
bonds (distance) P-C4' energy: -28.932
flat angles C4'-P-C4' energy: -29.107
flat angles P-C4'-P energy: -19.916
tors. eta vs tors. theta energy: 6.238
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: 9
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -612.764985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.764985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.764985 (E_RNA)
where:
Base-Base interactions energy: -425.816
where: short stacking energy: -196.289
Base-Backbone interact. energy: -0.048
local terms energy: -186.901058
where:
bonds (distance) C4'-P energy: -30.257
bonds (distance) P-C4' energy: -33.526
flat angles C4'-P-C4' energy: -37.957
flat angles P-C4'-P energy: -27.130
tors. eta vs tors. theta energy: -58.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -613.499734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.499734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.499734 (E_RNA)
where:
Base-Base interactions energy: -424.220
where: short stacking energy: -177.365
Base-Backbone interact. energy: -0.669
local terms energy: -188.610441
where:
bonds (distance) C4'-P energy: -34.164
bonds (distance) P-C4' energy: -32.799
flat angles C4'-P-C4' energy: -39.466
flat angles P-C4'-P energy: -29.057
tors. eta vs tors. theta energy: -53.124
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: 8
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -577.478097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.478097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.478097 (E_RNA)
where:
Base-Base interactions energy: -408.291
where: short stacking energy: -169.379
Base-Backbone interact. energy: 6.341
local terms energy: -175.528214
where:
bonds (distance) C4'-P energy: -32.767
bonds (distance) P-C4' energy: -40.670
flat angles C4'-P-C4' energy: -38.814
flat angles P-C4'-P energy: -19.450
tors. eta vs tors. theta energy: -43.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -576.789097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.789097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.789097 (E_RNA)
where:
Base-Base interactions energy: -398.198
where: short stacking energy: -164.116
Base-Backbone interact. energy: -0.430
local terms energy: -178.161754
where:
bonds (distance) C4'-P energy: -38.061
bonds (distance) P-C4' energy: -39.030
flat angles C4'-P-C4' energy: -33.994
flat angles P-C4'-P energy: -22.756
tors. eta vs tors. theta energy: -44.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -513.874613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.874613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.874613 (E_RNA)
where:
Base-Base interactions energy: -359.395
where: short stacking energy: -165.027
Base-Backbone interact. energy: 1.927
local terms energy: -156.406282
where:
bonds (distance) C4'-P energy: -24.529
bonds (distance) P-C4' energy: -37.386
flat angles C4'-P-C4' energy: -36.841
flat angles P-C4'-P energy: -21.865
tors. eta vs tors. theta energy: -35.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -487.303473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.303473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.303473 (E_RNA)
where:
Base-Base interactions energy: -337.926
where: short stacking energy: -138.760
Base-Backbone interact. energy: -0.367
local terms energy: -149.010805
where:
bonds (distance) C4'-P energy: -33.260
bonds (distance) P-C4' energy: -25.239
flat angles C4'-P-C4' energy: -35.773
flat angles P-C4'-P energy: -25.743
tors. eta vs tors. theta energy: -28.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -407.592072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.592072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.592072 (E_RNA)
where:
Base-Base interactions energy: -261.788
where: short stacking energy: -111.062
Base-Backbone interact. energy: -0.397
local terms energy: -145.407113
where:
bonds (distance) C4'-P energy: -33.673
bonds (distance) P-C4' energy: -30.988
flat angles C4'-P-C4' energy: -29.989
flat angles P-C4'-P energy: -17.184
tors. eta vs tors. theta energy: -33.574
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: 6
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -339.715091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.715091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.715091 (E_RNA)
where:
Base-Base interactions energy: -223.973
where: short stacking energy: -106.355
Base-Backbone interact. energy: -0.967
local terms energy: -114.775561
where:
bonds (distance) C4'-P energy: -25.376
bonds (distance) P-C4' energy: -29.907
flat angles C4'-P-C4' energy: -21.796
flat angles P-C4'-P energy: -19.072
tors. eta vs tors. theta energy: -18.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -346.425902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.425902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.425902 (E_RNA)
where:
Base-Base interactions energy: -232.056
where: short stacking energy: -97.212
Base-Backbone interact. energy: -0.115
local terms energy: -114.254365
where:
bonds (distance) C4'-P energy: -28.435
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -28.164
flat angles P-C4'-P energy: -13.631
tors. eta vs tors. theta energy: -27.560
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: 251
Temperature: 1.350000
Total energy: -157.480647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.480647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.480647 (E_RNA)
where:
Base-Base interactions energy: -76.420
where: short stacking energy: -46.443
Base-Backbone interact. energy: -0.489
local terms energy: -80.571445
where:
bonds (distance) C4'-P energy: -22.480
bonds (distance) P-C4' energy: -32.186
flat angles C4'-P-C4' energy: -24.749
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: 9.134
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: 2
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -607.647222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.647222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.647222 (E_RNA)
where:
Base-Base interactions energy: -427.951
where: short stacking energy: -172.291
Base-Backbone interact. energy: 1.701
local terms energy: -181.397570
where:
bonds (distance) C4'-P energy: -32.298
bonds (distance) P-C4' energy: -35.245
flat angles C4'-P-C4' energy: -38.263
flat angles P-C4'-P energy: -28.700
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: 2, replica: 9
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -600.816623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.816623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.816623 (E_RNA)
where:
Base-Base interactions energy: -424.080
where: short stacking energy: -186.884
Base-Backbone interact. energy: -0.285
local terms energy: -176.451320
where:
bonds (distance) C4'-P energy: -33.516
bonds (distance) P-C4' energy: -26.460
flat angles C4'-P-C4' energy: -35.609
flat angles P-C4'-P energy: -28.243
tors. eta vs tors. theta energy: -52.624
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: 8
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -568.363114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.363114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.363114 (E_RNA)
where:
Base-Base interactions energy: -399.240
where: short stacking energy: -152.891
Base-Backbone interact. energy: 0.055
local terms energy: -169.177866
where:
bonds (distance) C4'-P energy: -36.390
bonds (distance) P-C4' energy: -31.314
flat angles C4'-P-C4' energy: -38.709
flat angles P-C4'-P energy: -20.967
tors. eta vs tors. theta energy: -41.798
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: 4, replica: 1
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -563.137281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.137281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.137281 (E_RNA)
where:
Base-Base interactions energy: -395.144
where: short stacking energy: -149.099
Base-Backbone interact. energy: -1.369
local terms energy: -166.623388
where:
bonds (distance) C4'-P energy: -38.814
bonds (distance) P-C4' energy: -35.568
flat angles C4'-P-C4' energy: -34.597
flat angles P-C4'-P energy: -20.291
tors. eta vs tors. theta energy: -37.353
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: 252
Temperature: 1.100000
Total energy: -530.610889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.610889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.610889 (E_RNA)
where:
Base-Base interactions energy: -358.911
where: short stacking energy: -164.227
Base-Backbone interact. energy: -0.059
local terms energy: -171.640583
where:
bonds (distance) C4'-P energy: -39.697
bonds (distance) P-C4' energy: -34.075
flat angles C4'-P-C4' energy: -28.793
flat angles P-C4'-P energy: -25.204
tors. eta vs tors. theta energy: -43.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -513.261326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.261326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.261326 (E_RNA)
where:
Base-Base interactions energy: -356.119
where: short stacking energy: -161.496
Base-Backbone interact. energy: 1.138
local terms energy: -158.280505
where:
bonds (distance) C4'-P energy: -33.320
bonds (distance) P-C4' energy: -30.701
flat angles C4'-P-C4' energy: -34.736
flat angles P-C4'-P energy: -25.376
tors. eta vs tors. theta energy: -34.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -430.761805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.761805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.761805 (E_RNA)
where:
Base-Base interactions energy: -274.816
where: short stacking energy: -136.334
Base-Backbone interact. energy: -0.196
local terms energy: -155.749890
where:
bonds (distance) C4'-P energy: -34.217
bonds (distance) P-C4' energy: -36.970
flat angles C4'-P-C4' energy: -32.313
flat angles P-C4'-P energy: -22.562
tors. eta vs tors. theta energy: -29.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -326.080697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.080697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.080697 (E_RNA)
where:
Base-Base interactions energy: -209.308
where: short stacking energy: -93.351
Base-Backbone interact. energy: 0.073
local terms energy: -116.844993
where:
bonds (distance) C4'-P energy: -25.416
bonds (distance) P-C4' energy: -34.656
flat angles C4'-P-C4' energy: -23.541
flat angles P-C4'-P energy: -21.049
tors. eta vs tors. theta energy: -12.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -343.191172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.191172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.191172 (E_RNA)
where:
Base-Base interactions energy: -219.447
where: short stacking energy: -96.722
Base-Backbone interact. energy: -0.592
local terms energy: -123.151553
where:
bonds (distance) C4'-P energy: -29.261
bonds (distance) P-C4' energy: -26.597
flat angles C4'-P-C4' energy: -31.891
flat angles P-C4'-P energy: -13.118
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: 10, replica: 3
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -173.110349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.110349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.110349 (E_RNA)
where:
Base-Base interactions energy: -68.246
where: short stacking energy: -47.437
Base-Backbone interact. energy: -0.129
local terms energy: -104.735816
where:
bonds (distance) C4'-P energy: -33.036
bonds (distance) P-C4' energy: -32.785
flat angles C4'-P-C4' energy: -19.980
flat angles P-C4'-P energy: -19.343
tors. eta vs tors. theta energy: 0.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -618.674709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.674709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.674709 (E_RNA)
where:
Base-Base interactions energy: -444.255
where: short stacking energy: -178.766
Base-Backbone interact. energy: -1.735
local terms energy: -172.684951
where:
bonds (distance) C4'-P energy: -32.955
bonds (distance) P-C4' energy: -31.833
flat angles C4'-P-C4' energy: -37.761
flat angles P-C4'-P energy: -27.109
tors. eta vs tors. theta energy: -43.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -587.969519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.969519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.969519 (E_RNA)
where:
Base-Base interactions energy: -419.644
where: short stacking energy: -166.207
Base-Backbone interact. energy: -0.397
local terms energy: -167.928389
where:
bonds (distance) C4'-P energy: -31.342
bonds (distance) P-C4' energy: -35.892
flat angles C4'-P-C4' energy: -33.612
flat angles P-C4'-P energy: -28.720
tors. eta vs tors. theta energy: -38.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -590.130576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.130576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.130576 (E_RNA)
where:
Base-Base interactions energy: -409.578
where: short stacking energy: -179.846
Base-Backbone interact. energy: -0.016
local terms energy: -180.535899
where:
bonds (distance) C4'-P energy: -26.478
bonds (distance) P-C4' energy: -35.691
flat angles C4'-P-C4' energy: -37.718
flat angles P-C4'-P energy: -28.257
tors. eta vs tors. theta energy: -52.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -537.361446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.361446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.361446 (E_RNA)
where:
Base-Base interactions energy: -374.306
where: short stacking energy: -174.728
Base-Backbone interact. energy: -0.899
local terms energy: -162.157021
where:
bonds (distance) C4'-P energy: -31.294
bonds (distance) P-C4' energy: -31.679
flat angles C4'-P-C4' energy: -32.257
flat angles P-C4'-P energy: -22.728
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: 1
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -550.316841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.316841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.316841 (E_RNA)
where:
Base-Base interactions energy: -384.084
where: short stacking energy: -158.645
Base-Backbone interact. energy: -0.956
local terms energy: -165.277461
where:
bonds (distance) C4'-P energy: -26.752
bonds (distance) P-C4' energy: -32.347
flat angles C4'-P-C4' energy: -36.954
flat angles P-C4'-P energy: -21.793
tors. eta vs tors. theta energy: -47.431
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: 5
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -501.645315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.645315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.645315 (E_RNA)
where:
Base-Base interactions energy: -358.410
where: short stacking energy: -141.751
Base-Backbone interact. energy: -0.582
local terms energy: -142.653549
where:
bonds (distance) C4'-P energy: -20.672
bonds (distance) P-C4' energy: -30.096
flat angles C4'-P-C4' energy: -28.611
flat angles P-C4'-P energy: -24.096
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: 7, replica: 4
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -385.422866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.422866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.422866 (E_RNA)
where:
Base-Base interactions energy: -244.922
where: short stacking energy: -126.334
Base-Backbone interact. energy: -0.895
local terms energy: -139.606485
where:
bonds (distance) C4'-P energy: -27.731
bonds (distance) P-C4' energy: -28.969
flat angles C4'-P-C4' energy: -29.584
flat angles P-C4'-P energy: -23.812
tors. eta vs tors. theta energy: -29.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -355.767757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.767757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.767757 (E_RNA)
where:
Base-Base interactions energy: -225.767
where: short stacking energy: -112.431
Base-Backbone interact. energy: -0.659
local terms energy: -129.342023
where:
bonds (distance) C4'-P energy: -27.024
bonds (distance) P-C4' energy: -28.785
flat angles C4'-P-C4' energy: -26.696
flat angles P-C4'-P energy: -21.073
tors. eta vs tors. theta energy: -25.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -327.710865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.710865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.710865 (E_RNA)
where:
Base-Base interactions energy: -215.610
where: short stacking energy: -101.615
Base-Backbone interact. energy: -0.523
local terms energy: -111.578236
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -33.658
flat angles C4'-P-C4' energy: -32.010
flat angles P-C4'-P energy: -17.304
tors. eta vs tors. theta energy: -15.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -177.072336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.072336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.072336 (E_RNA)
where:
Base-Base interactions energy: -74.275
where: short stacking energy: -51.144
Base-Backbone interact. energy: 2.104
local terms energy: -104.901737
where:
bonds (distance) C4'-P energy: -25.346
bonds (distance) P-C4' energy: -38.544
flat angles C4'-P-C4' energy: -18.346
flat angles P-C4'-P energy: -23.621
tors. eta vs tors. theta energy: 0.956
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: 2
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -621.017723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.017723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.017723 (E_RNA)
where:
Base-Base interactions energy: -447.176
where: short stacking energy: -185.862
Base-Backbone interact. energy: -0.838
local terms energy: -173.003322
where:
bonds (distance) C4'-P energy: -27.306
bonds (distance) P-C4' energy: -33.245
flat angles C4'-P-C4' energy: -40.000
flat angles P-C4'-P energy: -27.597
tors. eta vs tors. theta energy: -44.856
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: 8
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -587.766358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.766358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.766358 (E_RNA)
where:
Base-Base interactions energy: -406.213
where: short stacking energy: -174.725
Base-Backbone interact. energy: 0.949
local terms energy: -182.503121
where:
bonds (distance) C4'-P energy: -34.005
bonds (distance) P-C4' energy: -35.159
flat angles C4'-P-C4' energy: -38.598
flat angles P-C4'-P energy: -27.986
tors. eta vs tors. theta energy: -46.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -577.552370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.552370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.552370 (E_RNA)
where:
Base-Base interactions energy: -395.216
where: short stacking energy: -180.949
Base-Backbone interact. energy: -0.302
local terms energy: -182.033966
where:
bonds (distance) C4'-P energy: -27.136
bonds (distance) P-C4' energy: -33.181
flat angles C4'-P-C4' energy: -41.764
flat angles P-C4'-P energy: -25.893
tors. eta vs tors. theta energy: -54.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -518.193487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.193487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.193487 (E_RNA)
where:
Base-Base interactions energy: -359.578
where: short stacking energy: -163.262
Base-Backbone interact. energy: -0.048
local terms energy: -158.567505
where:
bonds (distance) C4'-P energy: -36.755
bonds (distance) P-C4' energy: -24.140
flat angles C4'-P-C4' energy: -31.826
flat angles P-C4'-P energy: -21.109
tors. eta vs tors. theta energy: -44.738
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: 5, replica: 1
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -545.912592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.912592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.912592 (E_RNA)
where:
Base-Base interactions energy: -380.748
where: short stacking energy: -150.457
Base-Backbone interact. energy: 0.816
local terms energy: -165.980634
where:
bonds (distance) C4'-P energy: -31.531
bonds (distance) P-C4' energy: -32.696
flat angles C4'-P-C4' energy: -37.386
flat angles P-C4'-P energy: -23.438
tors. eta vs tors. theta energy: -40.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -500.349811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.349811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.349811 (E_RNA)
where:
Base-Base interactions energy: -347.078
where: short stacking energy: -146.804
Base-Backbone interact. energy: -0.021
local terms energy: -153.251372
where:
bonds (distance) C4'-P energy: -31.069
bonds (distance) P-C4' energy: -26.580
flat angles C4'-P-C4' energy: -31.530
flat angles P-C4'-P energy: -25.405
tors. eta vs tors. theta energy: -38.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -371.185829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.185829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.185829 (E_RNA)
where:
Base-Base interactions energy: -229.428
where: short stacking energy: -113.391
Base-Backbone interact. energy: -0.432
local terms energy: -141.326179
where:
bonds (distance) C4'-P energy: -30.800
bonds (distance) P-C4' energy: -30.328
flat angles C4'-P-C4' energy: -24.275
flat angles P-C4'-P energy: -29.362
tors. eta vs tors. theta energy: -26.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -360.659099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.659099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.659099 (E_RNA)
where:
Base-Base interactions energy: -235.420
where: short stacking energy: -101.374
Base-Backbone interact. energy: -0.261
local terms energy: -124.978565
where:
bonds (distance) C4'-P energy: -27.826
bonds (distance) P-C4' energy: -28.351
flat angles C4'-P-C4' energy: -27.053
flat angles P-C4'-P energy: -20.743
tors. eta vs tors. theta energy: -21.006
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: 9, replica: 6
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -343.340905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.340905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.340905 (E_RNA)
where:
Base-Base interactions energy: -217.591
where: short stacking energy: -95.011
Base-Backbone interact. energy: -1.963
local terms energy: -123.786282
where:
bonds (distance) C4'-P energy: -32.093
bonds (distance) P-C4' energy: -33.260
flat angles C4'-P-C4' energy: -30.022
flat angles P-C4'-P energy: -14.261
tors. eta vs tors. theta energy: -14.150
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: 3
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -151.676498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.676498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.676498 (E_RNA)
where:
Base-Base interactions energy: -44.867
where: short stacking energy: -41.701
Base-Backbone interact. energy: 1.890
local terms energy: -108.699555
where:
bonds (distance) C4'-P energy: -28.280
bonds (distance) P-C4' energy: -34.503
flat angles C4'-P-C4' energy: -28.603
flat angles P-C4'-P energy: -19.756
tors. eta vs tors. theta energy: 2.443
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: 2
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -621.019055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.019055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.019055 (E_RNA)
where:
Base-Base interactions energy: -444.287
where: short stacking energy: -182.817
Base-Backbone interact. energy: -0.906
local terms energy: -175.825826
where:
bonds (distance) C4'-P energy: -37.067
bonds (distance) P-C4' energy: -34.965
flat angles C4'-P-C4' energy: -31.074
flat angles P-C4'-P energy: -23.974
tors. eta vs tors. theta energy: -48.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -591.884364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.884364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.884364 (E_RNA)
where:
Base-Base interactions energy: -416.508
where: short stacking energy: -187.263
Base-Backbone interact. energy: -0.382
local terms energy: -174.994796
where:
bonds (distance) C4'-P energy: -26.987
bonds (distance) P-C4' energy: -34.566
flat angles C4'-P-C4' energy: -39.631
flat angles P-C4'-P energy: -22.754
tors. eta vs tors. theta energy: -51.057
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: 255
Temperature: 1.000000
Total energy: -566.326206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.326206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.326206 (E_RNA)
where:
Base-Base interactions energy: -397.421
where: short stacking energy: -165.164
Base-Backbone interact. energy: -0.110
local terms energy: -168.795068
where:
bonds (distance) C4'-P energy: -29.210
bonds (distance) P-C4' energy: -31.683
flat angles C4'-P-C4' energy: -37.258
flat angles P-C4'-P energy: -25.209
tors. eta vs tors. theta energy: -45.435
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: 1
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -563.965326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.965326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.965326 (E_RNA)
where:
Base-Base interactions energy: -403.625
where: short stacking energy: -165.305
Base-Backbone interact. energy: -2.600
local terms energy: -157.740838
where:
bonds (distance) C4'-P energy: -36.270
bonds (distance) P-C4' energy: -27.168
flat angles C4'-P-C4' energy: -33.488
flat angles P-C4'-P energy: -15.710
tors. eta vs tors. theta energy: -45.106
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: 7
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -504.922913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.922913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.922913 (E_RNA)
where:
Base-Base interactions energy: -339.914
where: short stacking energy: -149.826
Base-Backbone interact. energy: -0.428
local terms energy: -164.580148
where:
bonds (distance) C4'-P energy: -32.891
bonds (distance) P-C4' energy: -25.122
flat angles C4'-P-C4' energy: -37.360
flat angles P-C4'-P energy: -27.441
tors. eta vs tors. theta energy: -41.766
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: 5
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -496.698347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.698347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.698347 (E_RNA)
where:
Base-Base interactions energy: -342.620
where: short stacking energy: -133.342
Base-Backbone interact. energy: -0.871
local terms energy: -153.206919
where:
bonds (distance) C4'-P energy: -37.158
bonds (distance) P-C4' energy: -26.652
flat angles C4'-P-C4' energy: -31.658
flat angles P-C4'-P energy: -19.162
tors. eta vs tors. theta energy: -38.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -363.851033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.851033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.851033 (E_RNA)
where:
Base-Base interactions energy: -221.205
where: short stacking energy: -111.438
Base-Backbone interact. energy: -0.632
local terms energy: -142.014414
where:
bonds (distance) C4'-P energy: -32.919
bonds (distance) P-C4' energy: -30.100
flat angles C4'-P-C4' energy: -28.343
flat angles P-C4'-P energy: -27.721
tors. eta vs tors. theta energy: -22.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -344.757761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.757761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.757761 (E_RNA)
where:
Base-Base interactions energy: -221.445
where: short stacking energy: -107.907
Base-Backbone interact. energy: 1.986
local terms energy: -125.299064
where:
bonds (distance) C4'-P energy: -24.699
bonds (distance) P-C4' energy: -34.813
flat angles C4'-P-C4' energy: -31.305
flat angles P-C4'-P energy: -14.514
tors. eta vs tors. theta energy: -19.968
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: 9, replica: 6
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -323.075835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.075835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.075835 (E_RNA)
where:
Base-Base interactions energy: -199.156
where: short stacking energy: -87.928
Base-Backbone interact. energy: 0.828
local terms energy: -124.748133
where:
bonds (distance) C4'-P energy: -32.416
bonds (distance) P-C4' energy: -31.558
flat angles C4'-P-C4' energy: -29.722
flat angles P-C4'-P energy: -17.322
tors. eta vs tors. theta energy: -13.730
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: 10, replica: 3
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -170.909291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.909291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.909291 (E_RNA)
where:
Base-Base interactions energy: -63.055
where: short stacking energy: -45.442
Base-Backbone interact. energy: 1.748
local terms energy: -109.601837
where:
bonds (distance) C4'-P energy: -25.775
bonds (distance) P-C4' energy: -31.329
flat angles C4'-P-C4' energy: -30.454
flat angles P-C4'-P energy: -18.737
tors. eta vs tors. theta energy: -3.306
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: 256
Temperature: 0.900000
Total energy: -626.891779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.891779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.891779 (E_RNA)
where:
Base-Base interactions energy: -446.196
where: short stacking energy: -178.638
Base-Backbone interact. energy: 2.884
local terms energy: -183.579704
where:
bonds (distance) C4'-P energy: -41.879
bonds (distance) P-C4' energy: -34.869
flat angles C4'-P-C4' energy: -35.436
flat angles P-C4'-P energy: -25.001
tors. eta vs tors. theta energy: -46.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -596.000519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.000519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.000519 (E_RNA)
where:
Base-Base interactions energy: -411.787
where: short stacking energy: -179.749
Base-Backbone interact. energy: -0.187
local terms energy: -184.026574
where:
bonds (distance) C4'-P energy: -37.014
bonds (distance) P-C4' energy: -33.000
flat angles C4'-P-C4' energy: -40.672
flat angles P-C4'-P energy: -15.940
tors. eta vs tors. theta energy: -57.400
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: 8
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -569.247323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.247323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.247323 (E_RNA)
where:
Base-Base interactions energy: -401.134
where: short stacking energy: -157.729
Base-Backbone interact. energy: 1.292
local terms energy: -169.405430
where:
bonds (distance) C4'-P energy: -36.187
bonds (distance) P-C4' energy: -30.984
flat angles C4'-P-C4' energy: -39.986
flat angles P-C4'-P energy: -20.386
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: 4, replica: 1
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -561.348543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.348543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.348543 (E_RNA)
where:
Base-Base interactions energy: -393.451
where: short stacking energy: -157.204
Base-Backbone interact. energy: -0.784
local terms energy: -167.113158
where:
bonds (distance) C4'-P energy: -28.097
bonds (distance) P-C4' energy: -32.213
flat angles C4'-P-C4' energy: -40.031
flat angles P-C4'-P energy: -24.227
tors. eta vs tors. theta energy: -42.545
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: 5, replica: 5
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -519.346196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.346196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.346196 (E_RNA)
where:
Base-Base interactions energy: -351.731
where: short stacking energy: -144.739
Base-Backbone interact. energy: -0.354
local terms energy: -167.261535
where:
bonds (distance) C4'-P energy: -29.318
bonds (distance) P-C4' energy: -39.925
flat angles C4'-P-C4' energy: -32.936
flat angles P-C4'-P energy: -20.223
tors. eta vs tors. theta energy: -44.859
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: 7
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -498.707054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.707054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.707054 (E_RNA)
where:
Base-Base interactions energy: -349.248
where: short stacking energy: -159.261
Base-Backbone interact. energy: -1.113
local terms energy: -148.346102
where:
bonds (distance) C4'-P energy: -19.764
bonds (distance) P-C4' energy: -30.412
flat angles C4'-P-C4' energy: -27.981
flat angles P-C4'-P energy: -23.299
tors. eta vs tors. theta energy: -46.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -387.931267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.931267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.931267 (E_RNA)
where:
Base-Base interactions energy: -230.544
where: short stacking energy: -119.314
Base-Backbone interact. energy: -0.708
local terms energy: -156.678897
where:
bonds (distance) C4'-P energy: -34.513
bonds (distance) P-C4' energy: -30.863
flat angles C4'-P-C4' energy: -40.773
flat angles P-C4'-P energy: -20.771
tors. eta vs tors. theta energy: -29.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -346.117875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.117875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.117875 (E_RNA)
where:
Base-Base interactions energy: -224.931
where: short stacking energy: -108.996
Base-Backbone interact. energy: 0.109
local terms energy: -121.295294
where:
bonds (distance) C4'-P energy: -28.244
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -28.472
flat angles P-C4'-P energy: -24.676
tors. eta vs tors. theta energy: -22.182
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: 9, replica: 6
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -346.586101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.586101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.586101 (E_RNA)
where:
Base-Base interactions energy: -217.681
where: short stacking energy: -101.194
Base-Backbone interact. energy: -0.050
local terms energy: -128.855614
where:
bonds (distance) C4'-P energy: -35.861
bonds (distance) P-C4' energy: -26.838
flat angles C4'-P-C4' energy: -35.831
flat angles P-C4'-P energy: -16.908
tors. eta vs tors. theta energy: -13.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -186.725990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.725990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.725990 (E_RNA)
where:
Base-Base interactions energy: -88.424
where: short stacking energy: -72.729
Base-Backbone interact. energy: 7.772
local terms energy: -106.073587
where:
bonds (distance) C4'-P energy: -26.476
bonds (distance) P-C4' energy: -25.246
flat angles C4'-P-C4' energy: -31.639
flat angles P-C4'-P energy: -17.589
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: 2
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -611.484733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.484733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.484733 (E_RNA)
where:
Base-Base interactions energy: -426.249
where: short stacking energy: -175.581
Base-Backbone interact. energy: -1.021
local terms energy: -184.214657
where:
bonds (distance) C4'-P energy: -32.816
bonds (distance) P-C4' energy: -36.506
flat angles C4'-P-C4' energy: -44.119
flat angles P-C4'-P energy: -24.594
tors. eta vs tors. theta energy: -46.179
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: 9
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -594.706687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.706687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.706687 (E_RNA)
where:
Base-Base interactions energy: -396.042
where: short stacking energy: -179.898
Base-Backbone interact. energy: -0.013
local terms energy: -198.651736
where:
bonds (distance) C4'-P energy: -36.584
bonds (distance) P-C4' energy: -39.921
flat angles C4'-P-C4' energy: -37.737
flat angles P-C4'-P energy: -29.570
tors. eta vs tors. theta energy: -54.840
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: 8
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -557.843054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.843054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.843054 (E_RNA)
where:
Base-Base interactions energy: -400.428
where: short stacking energy: -152.284
Base-Backbone interact. energy: -0.391
local terms energy: -157.023799
where:
bonds (distance) C4'-P energy: -35.355
bonds (distance) P-C4' energy: -33.585
flat angles C4'-P-C4' energy: -32.360
flat angles P-C4'-P energy: -23.598
tors. eta vs tors. theta energy: -32.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -521.331709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.331709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.331709 (E_RNA)
where:
Base-Base interactions energy: -364.094
where: short stacking energy: -165.465
Base-Backbone interact. energy: -0.941
local terms energy: -156.295923
where:
bonds (distance) C4'-P energy: -28.782
bonds (distance) P-C4' energy: -29.084
flat angles C4'-P-C4' energy: -36.556
flat angles P-C4'-P energy: -17.865
tors. eta vs tors. theta energy: -44.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -542.044776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.044776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.044776 (E_RNA)
where:
Base-Base interactions energy: -383.368
where: short stacking energy: -153.357
Base-Backbone interact. energy: -0.641
local terms energy: -158.035803
where:
bonds (distance) C4'-P energy: -34.323
bonds (distance) P-C4' energy: -25.095
flat angles C4'-P-C4' energy: -33.088
flat angles P-C4'-P energy: -22.682
tors. eta vs tors. theta energy: -42.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -530.289893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.289893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.289893 (E_RNA)
where:
Base-Base interactions energy: -365.117
where: short stacking energy: -160.611
Base-Backbone interact. energy: -0.237
local terms energy: -164.935756
where:
bonds (distance) C4'-P energy: -22.089
bonds (distance) P-C4' energy: -29.579
flat angles C4'-P-C4' energy: -36.051
flat angles P-C4'-P energy: -26.861
tors. eta vs tors. theta energy: -50.356
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: 257
Temperature: 1.200000
Total energy: -377.639741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.639741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.639741 (E_RNA)
where:
Base-Base interactions energy: -243.068
where: short stacking energy: -111.384
Base-Backbone interact. energy: -1.263
local terms energy: -133.308701
where:
bonds (distance) C4'-P energy: -30.320
bonds (distance) P-C4' energy: -28.492
flat angles C4'-P-C4' energy: -25.370
flat angles P-C4'-P energy: -21.756
tors. eta vs tors. theta energy: -27.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -348.627333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.627333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.627333 (E_RNA)
where:
Base-Base interactions energy: -219.322
where: short stacking energy: -98.065
Base-Backbone interact. energy: -0.884
local terms energy: -128.421903
where:
bonds (distance) C4'-P energy: -25.987
bonds (distance) P-C4' energy: -32.633
flat angles C4'-P-C4' energy: -37.365
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -21.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -326.311542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.311542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.311542 (E_RNA)
where:
Base-Base interactions energy: -187.286
where: short stacking energy: -96.168
Base-Backbone interact. energy: -0.089
local terms energy: -138.936624
where:
bonds (distance) C4'-P energy: -35.276
bonds (distance) P-C4' energy: -27.555
flat angles C4'-P-C4' energy: -30.851
flat angles P-C4'-P energy: -26.354
tors. eta vs tors. theta energy: -18.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -190.604088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.604088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.604088 (E_RNA)
where:
Base-Base interactions energy: -99.698
where: short stacking energy: -58.852
Base-Backbone interact. energy: 1.252
local terms energy: -92.157923
where:
bonds (distance) C4'-P energy: -22.732
bonds (distance) P-C4' energy: -20.020
flat angles C4'-P-C4' energy: -26.951
flat angles P-C4'-P energy: -20.870
tors. eta vs tors. theta energy: -1.586
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: 9
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -615.975670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.975670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.975670 (E_RNA)
where:
Base-Base interactions energy: -426.445
where: short stacking energy: -190.988
Base-Backbone interact. energy: -0.166
local terms energy: -189.364783
where:
bonds (distance) C4'-P energy: -33.562
bonds (distance) P-C4' energy: -29.301
flat angles C4'-P-C4' energy: -40.939
flat angles P-C4'-P energy: -28.860
tors. eta vs tors. theta energy: -56.703
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: 2, replica: 2
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -600.872472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.872472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.872472 (E_RNA)
where:
Base-Base interactions energy: -427.608
where: short stacking energy: -161.955
Base-Backbone interact. energy: -0.992
local terms energy: -172.271584
where:
bonds (distance) C4'-P energy: -33.852
bonds (distance) P-C4' energy: -33.103
flat angles C4'-P-C4' energy: -35.984
flat angles P-C4'-P energy: -22.564
tors. eta vs tors. theta energy: -46.769
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: 258
Temperature: 1.000000
Total energy: -590.243976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.243976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.243976 (E_RNA)
where:
Base-Base interactions energy: -415.808
where: short stacking energy: -161.325
Base-Backbone interact. energy: -0.293
local terms energy: -174.143435
where:
bonds (distance) C4'-P energy: -32.949
bonds (distance) P-C4' energy: -31.494
flat angles C4'-P-C4' energy: -37.562
flat angles P-C4'-P energy: -29.660
tors. eta vs tors. theta energy: -42.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -528.572081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.572081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.572081 (E_RNA)
where:
Base-Base interactions energy: -375.014
where: short stacking energy: -150.990
Base-Backbone interact. energy: -0.628
local terms energy: -152.929374
where:
bonds (distance) C4'-P energy: -30.774
bonds (distance) P-C4' energy: -29.047
flat angles C4'-P-C4' energy: -37.869
flat angles P-C4'-P energy: -14.971
tors. eta vs tors. theta energy: -40.268
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: 5, replica: 7
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -521.616006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.616006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.616006 (E_RNA)
where:
Base-Base interactions energy: -370.913
where: short stacking energy: -160.292
Base-Backbone interact. energy: -1.118
local terms energy: -149.584938
where:
bonds (distance) C4'-P energy: -25.716
bonds (distance) P-C4' energy: -29.289
flat angles C4'-P-C4' energy: -29.295
flat angles P-C4'-P energy: -23.352
tors. eta vs tors. theta energy: -41.932
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: 1
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -523.044847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.044847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.044847 (E_RNA)
where:
Base-Base interactions energy: -357.340
where: short stacking energy: -144.111
Base-Backbone interact. energy: -1.376
local terms energy: -164.329224
where:
bonds (distance) C4'-P energy: -32.580
bonds (distance) P-C4' energy: -33.746
flat angles C4'-P-C4' energy: -36.421
flat angles P-C4'-P energy: -25.435
tors. eta vs tors. theta energy: -36.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -355.524806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.524806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.524806 (E_RNA)
where:
Base-Base interactions energy: -234.116
where: short stacking energy: -110.705
Base-Backbone interact. energy: -1.102
local terms energy: -120.306561
where:
bonds (distance) C4'-P energy: -21.830
bonds (distance) P-C4' energy: -29.741
flat angles C4'-P-C4' energy: -28.593
flat angles P-C4'-P energy: -20.578
tors. eta vs tors. theta energy: -19.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -355.108530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.108530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.108530 (E_RNA)
where:
Base-Base interactions energy: -219.271
where: short stacking energy: -113.374
Base-Backbone interact. energy: 0.788
local terms energy: -136.625652
where:
bonds (distance) C4'-P energy: -29.918
bonds (distance) P-C4' energy: -32.633
flat angles C4'-P-C4' energy: -32.451
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -28.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -338.224358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.224358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.224358 (E_RNA)
where:
Base-Base interactions energy: -213.255
where: short stacking energy: -102.090
Base-Backbone interact. energy: -0.423
local terms energy: -124.546688
where:
bonds (distance) C4'-P energy: -27.414
bonds (distance) P-C4' energy: -29.985
flat angles C4'-P-C4' energy: -31.116
flat angles P-C4'-P energy: -16.824
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: 10, replica: 3
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -199.077063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.077063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.077063 (E_RNA)
where:
Base-Base interactions energy: -115.861
where: short stacking energy: -58.064
Base-Backbone interact. energy: -0.354
local terms energy: -82.862524
where:
bonds (distance) C4'-P energy: -30.512
bonds (distance) P-C4' energy: -21.709
flat angles C4'-P-C4' energy: -21.596
flat angles P-C4'-P energy: -7.294
tors. eta vs tors. theta energy: -1.752
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: 9
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -606.963977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.963977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.963977 (E_RNA)
where:
Base-Base interactions energy: -413.519
where: short stacking energy: -192.178
Base-Backbone interact. energy: -0.004
local terms energy: -193.441150
where:
bonds (distance) C4'-P energy: -29.497
bonds (distance) P-C4' energy: -35.387
flat angles C4'-P-C4' energy: -40.143
flat angles P-C4'-P energy: -31.330
tors. eta vs tors. theta energy: -57.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -601.821280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.821280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.821280 (E_RNA)
where:
Base-Base interactions energy: -426.286
where: short stacking energy: -182.144
Base-Backbone interact. energy: -0.827
local terms energy: -174.708062
where:
bonds (distance) C4'-P energy: -29.508
bonds (distance) P-C4' energy: -35.509
flat angles C4'-P-C4' energy: -35.705
flat angles P-C4'-P energy: -23.722
tors. eta vs tors. theta energy: -50.263
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: 8
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -582.053602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.053602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.053602 (E_RNA)
where:
Base-Base interactions energy: -412.490
where: short stacking energy: -169.001
Base-Backbone interact. energy: 4.794
local terms energy: -174.357416
where:
bonds (distance) C4'-P energy: -31.605
bonds (distance) P-C4' energy: -33.207
flat angles C4'-P-C4' energy: -37.524
flat angles P-C4'-P energy: -27.660
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: 4, replica: 5
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -543.541591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.541591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.541591 (E_RNA)
where:
Base-Base interactions energy: -377.507
where: short stacking energy: -142.778
Base-Backbone interact. energy: -0.846
local terms energy: -165.187807
where:
bonds (distance) C4'-P energy: -30.440
bonds (distance) P-C4' energy: -35.686
flat angles C4'-P-C4' energy: -37.560
flat angles P-C4'-P energy: -27.388
tors. eta vs tors. theta energy: -34.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -537.287643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.287643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.287643 (E_RNA)
where:
Base-Base interactions energy: -377.326
where: short stacking energy: -167.234
Base-Backbone interact. energy: -0.240
local terms energy: -159.722167
where:
bonds (distance) C4'-P energy: -31.669
bonds (distance) P-C4' energy: -25.215
flat angles C4'-P-C4' energy: -34.272
flat angles P-C4'-P energy: -21.820
tors. eta vs tors. theta energy: -46.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -520.435499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.435499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.435499 (E_RNA)
where:
Base-Base interactions energy: -366.708
where: short stacking energy: -156.835
Base-Backbone interact. energy: -0.970
local terms energy: -152.758394
where:
bonds (distance) C4'-P energy: -23.052
bonds (distance) P-C4' energy: -30.605
flat angles C4'-P-C4' energy: -34.383
flat angles P-C4'-P energy: -20.859
tors. eta vs tors. theta energy: -43.860
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: 6
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -362.152633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.152633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.152633 (E_RNA)
where:
Base-Base interactions energy: -232.283
where: short stacking energy: -109.017
Base-Backbone interact. energy: -0.259
local terms energy: -129.610432
where:
bonds (distance) C4'-P energy: -21.378
bonds (distance) P-C4' energy: -32.423
flat angles C4'-P-C4' energy: -30.988
flat angles P-C4'-P energy: -19.741
tors. eta vs tors. theta energy: -25.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -352.106185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.106185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.106185 (E_RNA)
where:
Base-Base interactions energy: -222.545
where: short stacking energy: -110.769
Base-Backbone interact. energy: -0.631
local terms energy: -128.930462
where:
bonds (distance) C4'-P energy: -27.832
bonds (distance) P-C4' energy: -25.849
flat angles C4'-P-C4' energy: -36.361
flat angles P-C4'-P energy: -17.898
tors. eta vs tors. theta energy: -20.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -353.743806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.743806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.743806 (E_RNA)
where:
Base-Base interactions energy: -214.906
where: short stacking energy: -100.999
Base-Backbone interact. energy: -0.209
local terms energy: -138.628858
where:
bonds (distance) C4'-P energy: -35.825
bonds (distance) P-C4' energy: -27.629
flat angles C4'-P-C4' energy: -33.995
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -29.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -162.991631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.991631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.991631 (E_RNA)
where:
Base-Base interactions energy: -65.590
where: short stacking energy: -54.244
Base-Backbone interact. energy: 2.598
local terms energy: -99.999601
where:
bonds (distance) C4'-P energy: -30.515
bonds (distance) P-C4' energy: -34.563
flat angles C4'-P-C4' energy: -24.039
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -0.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -621.545927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.545927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.545927 (E_RNA)
where:
Base-Base interactions energy: -433.431
where: short stacking energy: -185.463
Base-Backbone interact. energy: 1.035
local terms energy: -189.149242
where:
bonds (distance) C4'-P energy: -36.969
bonds (distance) P-C4' energy: -37.507
flat angles C4'-P-C4' energy: -36.601
flat angles P-C4'-P energy: -29.166
tors. eta vs tors. theta energy: -48.907
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: 9
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -591.698186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.698186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.698186 (E_RNA)
where:
Base-Base interactions energy: -402.416
where: short stacking energy: -183.368
Base-Backbone interact. energy: -0.005
local terms energy: -189.276730
where:
bonds (distance) C4'-P energy: -35.988
bonds (distance) P-C4' energy: -31.399
flat angles C4'-P-C4' energy: -37.388
flat angles P-C4'-P energy: -29.981
tors. eta vs tors. theta energy: -54.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -591.742232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.742232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.742232 (E_RNA)
where:
Base-Base interactions energy: -417.051
where: short stacking energy: -171.585
Base-Backbone interact. energy: -0.869
local terms energy: -173.822151
where:
bonds (distance) C4'-P energy: -35.253
bonds (distance) P-C4' energy: -29.632
flat angles C4'-P-C4' energy: -36.736
flat angles P-C4'-P energy: -25.047
tors. eta vs tors. theta energy: -47.153
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: 5
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -537.719580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.719580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.719580 (E_RNA)
where:
Base-Base interactions energy: -375.799
where: short stacking energy: -152.697
Base-Backbone interact. energy: -0.019
local terms energy: -161.901644
where:
bonds (distance) C4'-P energy: -23.946
bonds (distance) P-C4' energy: -32.689
flat angles C4'-P-C4' energy: -37.731
flat angles P-C4'-P energy: -22.021
tors. eta vs tors. theta energy: -45.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -540.751808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.751808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.751808 (E_RNA)
where:
Base-Base interactions energy: -381.531
where: short stacking energy: -151.719
Base-Backbone interact. energy: 1.605
local terms energy: -160.825464
where:
bonds (distance) C4'-P energy: -31.269
bonds (distance) P-C4' energy: -37.882
flat angles C4'-P-C4' energy: -38.847
flat angles P-C4'-P energy: -17.150
tors. eta vs tors. theta energy: -35.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -517.558940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.558940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.558940 (E_RNA)
where:
Base-Base interactions energy: -347.206
where: short stacking energy: -153.199
Base-Backbone interact. energy: -0.346
local terms energy: -170.006894
where:
bonds (distance) C4'-P energy: -36.605
bonds (distance) P-C4' energy: -35.450
flat angles C4'-P-C4' energy: -39.159
flat angles P-C4'-P energy: -16.733
tors. eta vs tors. theta energy: -42.060
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: 10
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -359.186429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.186429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.186429 (E_RNA)
where:
Base-Base interactions energy: -227.847
where: short stacking energy: -112.271
Base-Backbone interact. energy: 0.339
local terms energy: -131.678279
where:
bonds (distance) C4'-P energy: -16.786
bonds (distance) P-C4' energy: -33.639
flat angles C4'-P-C4' energy: -31.508
flat angles P-C4'-P energy: -28.215
tors. eta vs tors. theta energy: -21.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -345.056957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.056957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.056957 (E_RNA)
where:
Base-Base interactions energy: -215.495
where: short stacking energy: -96.362
Base-Backbone interact. energy: -1.660
local terms energy: -127.902442
where:
bonds (distance) C4'-P energy: -30.661
bonds (distance) P-C4' energy: -31.047
flat angles C4'-P-C4' energy: -27.519
flat angles P-C4'-P energy: -20.345
tors. eta vs tors. theta energy: -18.330
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: 4
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -373.617762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.617762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.617762 (E_RNA)
where:
Base-Base interactions energy: -244.838
where: short stacking energy: -116.652
Base-Backbone interact. energy: -1.389
local terms energy: -127.390506
where:
bonds (distance) C4'-P energy: -23.895
bonds (distance) P-C4' energy: -33.532
flat angles C4'-P-C4' energy: -23.670
flat angles P-C4'-P energy: -22.652
tors. eta vs tors. theta energy: -23.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -197.557383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.557383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.557383 (E_RNA)
where:
Base-Base interactions energy: -95.131
where: short stacking energy: -58.749
Base-Backbone interact. energy: -0.257
local terms energy: -102.168441
where:
bonds (distance) C4'-P energy: -28.179
bonds (distance) P-C4' energy: -28.776
flat angles C4'-P-C4' energy: -25.301
flat angles P-C4'-P energy: -15.648
tors. eta vs tors. theta energy: -4.264
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: 1, replica: 2
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -619.716026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.716026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.716026 (E_RNA)
where:
Base-Base interactions energy: -437.596
where: short stacking energy: -180.704
Base-Backbone interact. energy: -0.564
local terms energy: -181.556315
where:
bonds (distance) C4'-P energy: -33.191
bonds (distance) P-C4' energy: -35.954
flat angles C4'-P-C4' energy: -39.714
flat angles P-C4'-P energy: -23.836
tors. eta vs tors. theta energy: -48.862
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: 8
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -598.639390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.639390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.639390 (E_RNA)
where:
Base-Base interactions energy: -431.989
where: short stacking energy: -176.275
Base-Backbone interact. energy: 2.945
local terms energy: -169.595473
where:
bonds (distance) C4'-P energy: -27.074
bonds (distance) P-C4' energy: -32.910
flat angles C4'-P-C4' energy: -34.061
flat angles P-C4'-P energy: -26.737
tors. eta vs tors. theta energy: -48.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -581.185019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.185019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.185019 (E_RNA)
where:
Base-Base interactions energy: -391.913
where: short stacking energy: -177.257
Base-Backbone interact. energy: -0.083
local terms energy: -189.189151
where:
bonds (distance) C4'-P energy: -36.733
bonds (distance) P-C4' energy: -37.521
flat angles C4'-P-C4' energy: -38.017
flat angles P-C4'-P energy: -25.562
tors. eta vs tors. theta energy: -51.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -543.451227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.451227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.451227 (E_RNA)
where:
Base-Base interactions energy: -384.566
where: short stacking energy: -157.290
Base-Backbone interact. energy: -3.374
local terms energy: -155.511440
where:
bonds (distance) C4'-P energy: -30.127
bonds (distance) P-C4' energy: -34.591
flat angles C4'-P-C4' energy: -27.251
flat angles P-C4'-P energy: -20.773
tors. eta vs tors. theta energy: -42.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -544.104369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.104369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.104369 (E_RNA)
where:
Base-Base interactions energy: -367.391
where: short stacking energy: -154.859
Base-Backbone interact. energy: -0.077
local terms energy: -176.636812
where:
bonds (distance) C4'-P energy: -35.121
bonds (distance) P-C4' energy: -38.259
flat angles C4'-P-C4' energy: -32.702
flat angles P-C4'-P energy: -28.549
tors. eta vs tors. theta energy: -42.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -507.571361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.571361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.571361 (E_RNA)
where:
Base-Base interactions energy: -359.529
where: short stacking energy: -146.344
Base-Backbone interact. energy: 0.391
local terms energy: -148.433085
where:
bonds (distance) C4'-P energy: -28.561
bonds (distance) P-C4' energy: -33.867
flat angles C4'-P-C4' energy: -32.874
flat angles P-C4'-P energy: -14.317
tors. eta vs tors. theta energy: -38.814
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: 261
Temperature: 1.200000
Total energy: -375.964519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.964519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.964519 (E_RNA)
where:
Base-Base interactions energy: -239.274
where: short stacking energy: -113.243
Base-Backbone interact. energy: -0.926
local terms energy: -135.765138
where:
bonds (distance) C4'-P energy: -26.510
bonds (distance) P-C4' energy: -26.101
flat angles C4'-P-C4' energy: -34.364
flat angles P-C4'-P energy: -25.023
tors. eta vs tors. theta energy: -23.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -364.819596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.819596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.819596 (E_RNA)
where:
Base-Base interactions energy: -245.368
where: short stacking energy: -116.943
Base-Backbone interact. energy: -0.477
local terms energy: -118.974466
where:
bonds (distance) C4'-P energy: -32.956
bonds (distance) P-C4' energy: -18.102
flat angles C4'-P-C4' energy: -25.768
flat angles P-C4'-P energy: -15.279
tors. eta vs tors. theta energy: -26.870
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: 6
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -340.662750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.662750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.662750 (E_RNA)
where:
Base-Base interactions energy: -221.295
where: short stacking energy: -112.425
Base-Backbone interact. energy: -0.392
local terms energy: -118.975139
where:
bonds (distance) C4'-P energy: -24.843
bonds (distance) P-C4' energy: -33.218
flat angles C4'-P-C4' energy: -20.048
flat angles P-C4'-P energy: -20.737
tors. eta vs tors. theta energy: -20.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -165.840993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.840993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.840993 (E_RNA)
where:
Base-Base interactions energy: -72.469
where: short stacking energy: -47.595
Base-Backbone interact. energy: 1.233
local terms energy: -94.605216
where:
bonds (distance) C4'-P energy: -31.178
bonds (distance) P-C4' energy: -34.253
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -19.344
tors. eta vs tors. theta energy: 5.325
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: 262
Temperature: 0.900000
Total energy: -635.509163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.509163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.509163 (E_RNA)
where:
Base-Base interactions energy: -442.368
where: short stacking energy: -178.000
Base-Backbone interact. energy: -1.487
local terms energy: -191.654075
where:
bonds (distance) C4'-P energy: -35.165
bonds (distance) P-C4' energy: -40.135
flat angles C4'-P-C4' energy: -38.231
flat angles P-C4'-P energy: -28.174
tors. eta vs tors. theta energy: -49.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -595.962333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.962333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.962333 (E_RNA)
where:
Base-Base interactions energy: -424.306
where: short stacking energy: -179.428
Base-Backbone interact. energy: 5.476
local terms energy: -177.132601
where:
bonds (distance) C4'-P energy: -37.061
bonds (distance) P-C4' energy: -32.765
flat angles C4'-P-C4' energy: -35.323
flat angles P-C4'-P energy: -25.056
tors. eta vs tors. theta energy: -46.927
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: 9
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -567.674478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.674478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.674478 (E_RNA)
where:
Base-Base interactions energy: -391.004
where: short stacking energy: -183.038
Base-Backbone interact. energy: -0.015
local terms energy: -176.655648
where:
bonds (distance) C4'-P energy: -26.270
bonds (distance) P-C4' energy: -35.079
flat angles C4'-P-C4' energy: -35.250
flat angles P-C4'-P energy: -25.267
tors. eta vs tors. theta energy: -54.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -551.796792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.796792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.796792 (E_RNA)
where:
Base-Base interactions energy: -392.139
where: short stacking energy: -156.769
Base-Backbone interact. energy: -1.890
local terms energy: -157.767918
where:
bonds (distance) C4'-P energy: -33.827
bonds (distance) P-C4' energy: -27.296
flat angles C4'-P-C4' energy: -30.779
flat angles P-C4'-P energy: -26.422
tors. eta vs tors. theta energy: -39.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -507.568721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.568721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.568721 (E_RNA)
where:
Base-Base interactions energy: -339.232
where: short stacking energy: -154.965
Base-Backbone interact. energy: -0.826
local terms energy: -167.511245
where:
bonds (distance) C4'-P energy: -31.086
bonds (distance) P-C4' energy: -33.103
flat angles C4'-P-C4' energy: -37.425
flat angles P-C4'-P energy: -21.804
tors. eta vs tors. theta energy: -44.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -528.881374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.881374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.881374 (E_RNA)
where:
Base-Base interactions energy: -373.901
where: short stacking energy: -159.496
Base-Backbone interact. energy: 2.024
local terms energy: -157.004398
where:
bonds (distance) C4'-P energy: -27.352
bonds (distance) P-C4' energy: -27.227
flat angles C4'-P-C4' energy: -29.899
flat angles P-C4'-P energy: -26.549
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: 7, replica: 4
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -385.723285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.723285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.723285 (E_RNA)
where:
Base-Base interactions energy: -236.404
where: short stacking energy: -111.924
Base-Backbone interact. energy: -2.242
local terms energy: -147.077860
where:
bonds (distance) C4'-P energy: -27.775
bonds (distance) P-C4' energy: -33.002
flat angles C4'-P-C4' energy: -35.874
flat angles P-C4'-P energy: -26.282
tors. eta vs tors. theta energy: -24.145
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: 10
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -354.651676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.651676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.651676 (E_RNA)
where:
Base-Base interactions energy: -225.362
where: short stacking energy: -109.287
Base-Backbone interact. energy: -0.591
local terms energy: -128.698829
where:
bonds (distance) C4'-P energy: -26.958
bonds (distance) P-C4' energy: -23.589
flat angles C4'-P-C4' energy: -30.796
flat angles P-C4'-P energy: -21.241
tors. eta vs tors. theta energy: -26.115
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: 6
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -324.045791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.045791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.045791 (E_RNA)
where:
Base-Base interactions energy: -196.238
where: short stacking energy: -83.319
Base-Backbone interact. energy: -1.417
local terms energy: -126.390657
where:
bonds (distance) C4'-P energy: -32.965
bonds (distance) P-C4' energy: -30.468
flat angles C4'-P-C4' energy: -31.205
flat angles P-C4'-P energy: -13.177
tors. eta vs tors. theta energy: -18.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -165.053079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.053079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.053079 (E_RNA)
where:
Base-Base interactions energy: -61.505
where: short stacking energy: -47.156
Base-Backbone interact. energy: -0.354
local terms energy: -103.194504
where:
bonds (distance) C4'-P energy: -31.137
bonds (distance) P-C4' energy: -35.657
flat angles C4'-P-C4' energy: -28.653
flat angles P-C4'-P energy: -14.064
tors. eta vs tors. theta energy: 6.317
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: 263
Temperature: 0.900000
Total energy: -608.986848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.986848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.986848 (E_RNA)
where:
Base-Base interactions energy: -430.251
where: short stacking energy: -180.344
Base-Backbone interact. energy: -2.010
local terms energy: -176.725638
where:
bonds (distance) C4'-P energy: -35.615
bonds (distance) P-C4' energy: -28.173
flat angles C4'-P-C4' energy: -39.439
flat angles P-C4'-P energy: -24.131
tors. eta vs tors. theta energy: -49.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -577.349510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.349510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.349510 (E_RNA)
where:
Base-Base interactions energy: -388.862
where: short stacking energy: -175.209
Base-Backbone interact. energy: -0.014
local terms energy: -188.473279
where:
bonds (distance) C4'-P energy: -32.249
bonds (distance) P-C4' energy: -40.358
flat angles C4'-P-C4' energy: -40.259
flat angles P-C4'-P energy: -25.539
tors. eta vs tors. theta energy: -50.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -588.972635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.972635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.972635 (E_RNA)
where:
Base-Base interactions energy: -421.161
where: short stacking energy: -172.738
Base-Backbone interact. energy: 5.980
local terms energy: -173.791696
where:
bonds (distance) C4'-P energy: -33.668
bonds (distance) P-C4' energy: -32.530
flat angles C4'-P-C4' energy: -41.393
flat angles P-C4'-P energy: -22.712
tors. eta vs tors. theta energy: -43.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -560.806309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.806309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.806309 (E_RNA)
where:
Base-Base interactions energy: -397.679
where: short stacking energy: -162.819
Base-Backbone interact. energy: 0.568
local terms energy: -163.695939
where:
bonds (distance) C4'-P energy: -25.163
bonds (distance) P-C4' energy: -34.922
flat angles C4'-P-C4' energy: -32.991
flat angles P-C4'-P energy: -27.828
tors. eta vs tors. theta energy: -42.792
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: 7
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -516.314380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.314380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.314380 (E_RNA)
where:
Base-Base interactions energy: -350.802
where: short stacking energy: -163.167
Base-Backbone interact. energy: -0.959
local terms energy: -164.553382
where:
bonds (distance) C4'-P energy: -30.241
bonds (distance) P-C4' energy: -29.291
flat angles C4'-P-C4' energy: -36.387
flat angles P-C4'-P energy: -27.765
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: 6, replica: 5
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -520.680431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.680431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.680431 (E_RNA)
where:
Base-Base interactions energy: -350.571
where: short stacking energy: -156.698
Base-Backbone interact. energy: 1.361
local terms energy: -171.470281
where:
bonds (distance) C4'-P energy: -28.222
bonds (distance) P-C4' energy: -34.410
flat angles C4'-P-C4' energy: -38.585
flat angles P-C4'-P energy: -22.739
tors. eta vs tors. theta energy: -47.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -386.309892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.309892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.309892 (E_RNA)
where:
Base-Base interactions energy: -245.172
where: short stacking energy: -121.436
Base-Backbone interact. energy: -1.143
local terms energy: -139.994573
where:
bonds (distance) C4'-P energy: -29.265
bonds (distance) P-C4' energy: -33.538
flat angles C4'-P-C4' energy: -32.452
flat angles P-C4'-P energy: -19.112
tors. eta vs tors. theta energy: -25.627
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: 10
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -372.313391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.313391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.313391 (E_RNA)
where:
Base-Base interactions energy: -256.195
where: short stacking energy: -114.489
Base-Backbone interact. energy: -0.465
local terms energy: -115.653742
where:
bonds (distance) C4'-P energy: -20.616
bonds (distance) P-C4' energy: -29.131
flat angles C4'-P-C4' energy: -30.172
flat angles P-C4'-P energy: -14.702
tors. eta vs tors. theta energy: -21.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -288.270101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.270101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.270101 (E_RNA)
where:
Base-Base interactions energy: -166.907
where: short stacking energy: -82.528
Base-Backbone interact. energy: -0.160
local terms energy: -121.202864
where:
bonds (distance) C4'-P energy: -28.428
bonds (distance) P-C4' energy: -29.527
flat angles C4'-P-C4' energy: -28.679
flat angles P-C4'-P energy: -21.172
tors. eta vs tors. theta energy: -13.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -162.848554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.848554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.848554 (E_RNA)
where:
Base-Base interactions energy: -62.248
where: short stacking energy: -57.752
Base-Backbone interact. energy: 2.014
local terms energy: -102.614578
where:
bonds (distance) C4'-P energy: -31.268
bonds (distance) P-C4' energy: -20.589
flat angles C4'-P-C4' energy: -25.271
flat angles P-C4'-P energy: -20.269
tors. eta vs tors. theta energy: -5.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -606.488761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.488761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.488761 (E_RNA)
where:
Base-Base interactions energy: -428.263
where: short stacking energy: -174.293
Base-Backbone interact. energy: -1.881
local terms energy: -176.344348
where:
bonds (distance) C4'-P energy: -33.244
bonds (distance) P-C4' energy: -29.119
flat angles C4'-P-C4' energy: -37.018
flat angles P-C4'-P energy: -29.749
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: 264
Temperature: 0.950000
Total energy: -563.182607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.182607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.182607 (E_RNA)
where:
Base-Base interactions energy: -384.232
where: short stacking energy: -173.742
Base-Backbone interact. energy: -0.318
local terms energy: -178.632427
where:
bonds (distance) C4'-P energy: -35.836
bonds (distance) P-C4' energy: -28.812
flat angles C4'-P-C4' energy: -35.769
flat angles P-C4'-P energy: -28.695
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: 3, replica: 8
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -594.332839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.332839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.332839 (E_RNA)
where:
Base-Base interactions energy: -420.188
where: short stacking energy: -167.743
Base-Backbone interact. energy: 4.003
local terms energy: -178.147544
where:
bonds (distance) C4'-P energy: -28.720
bonds (distance) P-C4' energy: -41.252
flat angles C4'-P-C4' energy: -36.710
flat angles P-C4'-P energy: -27.647
tors. eta vs tors. theta energy: -43.819
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: 264
Temperature: 1.050000
Total energy: -569.894306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.894306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.894306 (E_RNA)
where:
Base-Base interactions energy: -391.131
where: short stacking energy: -166.347
Base-Backbone interact. energy: -0.944
local terms energy: -177.819336
where:
bonds (distance) C4'-P energy: -29.628
bonds (distance) P-C4' energy: -37.478
flat angles C4'-P-C4' energy: -38.529
flat angles P-C4'-P energy: -26.204
tors. eta vs tors. theta energy: -45.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -523.015393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.015393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.015393 (E_RNA)
where:
Base-Base interactions energy: -359.555
where: short stacking energy: -171.406
Base-Backbone interact. energy: 0.261
local terms energy: -163.721391
where:
bonds (distance) C4'-P energy: -35.403
bonds (distance) P-C4' energy: -31.024
flat angles C4'-P-C4' energy: -29.589
flat angles P-C4'-P energy: -22.420
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: 5
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -513.348655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.348655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.348655 (E_RNA)
where:
Base-Base interactions energy: -359.973
where: short stacking energy: -155.225
Base-Backbone interact. energy: -0.256
local terms energy: -153.119810
where:
bonds (distance) C4'-P energy: -23.339
bonds (distance) P-C4' energy: -34.721
flat angles C4'-P-C4' energy: -34.919
flat angles P-C4'-P energy: -18.380
tors. eta vs tors. theta energy: -41.761
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: 264
Temperature: 1.200000
Total energy: -382.173399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.173399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.173399 (E_RNA)
where:
Base-Base interactions energy: -257.503
where: short stacking energy: -117.153
Base-Backbone interact. energy: 2.197
local terms energy: -126.867100
where:
bonds (distance) C4'-P energy: -25.904
bonds (distance) P-C4' energy: -27.826
flat angles C4'-P-C4' energy: -30.402
flat angles P-C4'-P energy: -15.882
tors. eta vs tors. theta energy: -26.854
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: 264
Temperature: 1.250000
Total energy: -376.150848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.150848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.150848 (E_RNA)
where:
Base-Base interactions energy: -227.580
where: short stacking energy: -105.370
Base-Backbone interact. energy: -0.859
local terms energy: -147.711410
where:
bonds (distance) C4'-P energy: -25.363
bonds (distance) P-C4' energy: -37.720
flat angles C4'-P-C4' energy: -35.725
flat angles P-C4'-P energy: -25.162
tors. eta vs tors. theta energy: -23.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -316.597525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.597525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.597525 (E_RNA)
where:
Base-Base interactions energy: -196.440
where: short stacking energy: -97.601
Base-Backbone interact. energy: -1.580
local terms energy: -118.577605
where:
bonds (distance) C4'-P energy: -31.888
bonds (distance) P-C4' energy: -26.531
flat angles C4'-P-C4' energy: -18.102
flat angles P-C4'-P energy: -27.431
tors. eta vs tors. theta energy: -14.625
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: 264
Temperature: 1.350000
Total energy: -180.737579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.737579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.737579 (E_RNA)
where:
Base-Base interactions energy: -94.092
where: short stacking energy: -59.795
Base-Backbone interact. energy: -0.218
local terms energy: -86.428215
where:
bonds (distance) C4'-P energy: -23.971
bonds (distance) P-C4' energy: -37.436
flat angles C4'-P-C4' energy: -20.328
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: 5.672
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: 265
Temperature: 0.900000
Total energy: -609.335978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.335978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.335978 (E_RNA)
where:
Base-Base interactions energy: -424.824
where: short stacking energy: -172.630
Base-Backbone interact. energy: -1.322
local terms energy: -183.190139
where:
bonds (distance) C4'-P energy: -34.369
bonds (distance) P-C4' energy: -32.702
flat angles C4'-P-C4' energy: -37.247
flat angles P-C4'-P energy: -32.826
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: 8
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -596.499029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.499029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.499029 (E_RNA)
where:
Base-Base interactions energy: -417.528
where: short stacking energy: -170.359
Base-Backbone interact. energy: 4.858
local terms energy: -183.829599
where:
bonds (distance) C4'-P energy: -37.060
bonds (distance) P-C4' energy: -36.326
flat angles C4'-P-C4' energy: -39.125
flat angles P-C4'-P energy: -24.752
tors. eta vs tors. theta energy: -46.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -554.606566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.606566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.606566 (E_RNA)
where:
Base-Base interactions energy: -373.349
where: short stacking energy: -168.300
Base-Backbone interact. energy: -0.126
local terms energy: -181.131822
where:
bonds (distance) C4'-P energy: -35.181
bonds (distance) P-C4' energy: -31.268
flat angles C4'-P-C4' energy: -36.664
flat angles P-C4'-P energy: -26.728
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: 4, replica: 1
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -558.448879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.448879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.448879 (E_RNA)
where:
Base-Base interactions energy: -391.479
where: short stacking energy: -151.993
Base-Backbone interact. energy: -1.860
local terms energy: -165.109912
where:
bonds (distance) C4'-P energy: -25.466
bonds (distance) P-C4' energy: -37.092
flat angles C4'-P-C4' energy: -34.718
flat angles P-C4'-P energy: -27.697
tors. eta vs tors. theta energy: -40.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -526.833096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.833096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.833096 (E_RNA)
where:
Base-Base interactions energy: -371.039
where: short stacking energy: -151.918
Base-Backbone interact. energy: 1.312
local terms energy: -157.106224
where:
bonds (distance) C4'-P energy: -34.112
bonds (distance) P-C4' energy: -26.574
flat angles C4'-P-C4' energy: -36.201
flat angles P-C4'-P energy: -17.821
tors. eta vs tors. theta energy: -42.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -426.969427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.969427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.969427 (E_RNA)
where:
Base-Base interactions energy: -275.153
where: short stacking energy: -134.357
Base-Backbone interact. energy: -0.545
local terms energy: -151.270891
where:
bonds (distance) C4'-P energy: -35.441
bonds (distance) P-C4' energy: -27.840
flat angles C4'-P-C4' energy: -32.736
flat angles P-C4'-P energy: -26.042
tors. eta vs tors. theta energy: -29.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -417.542072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.542072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.542072 (E_RNA)
where:
Base-Base interactions energy: -268.993
where: short stacking energy: -112.444
Base-Backbone interact. energy: -2.042
local terms energy: -146.507438
where:
bonds (distance) C4'-P energy: -29.143
bonds (distance) P-C4' energy: -32.623
flat angles C4'-P-C4' energy: -33.796
flat angles P-C4'-P energy: -22.081
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: 8, replica: 4
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -358.192904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.192904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.192904 (E_RNA)
where:
Base-Base interactions energy: -228.167
where: short stacking energy: -106.156
Base-Backbone interact. energy: -1.240
local terms energy: -128.786094
where:
bonds (distance) C4'-P energy: -30.884
bonds (distance) P-C4' energy: -24.260
flat angles C4'-P-C4' energy: -35.160
flat angles P-C4'-P energy: -18.883
tors. eta vs tors. theta energy: -19.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -298.088692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.088692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.088692 (E_RNA)
where:
Base-Base interactions energy: -200.104
where: short stacking energy: -89.629
Base-Backbone interact. energy: -1.950
local terms energy: -96.033928
where:
bonds (distance) C4'-P energy: -26.231
bonds (distance) P-C4' energy: -22.966
flat angles C4'-P-C4' energy: -25.569
flat angles P-C4'-P energy: -15.403
tors. eta vs tors. theta energy: -5.865
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: 10, replica: 3
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -157.726392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.726392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.726392 (E_RNA)
where:
Base-Base interactions energy: -58.528
where: short stacking energy: -51.659
Base-Backbone interact. energy: -0.729
local terms energy: -98.469826
where:
bonds (distance) C4'-P energy: -29.024
bonds (distance) P-C4' energy: -25.208
flat angles C4'-P-C4' energy: -26.420
flat angles P-C4'-P energy: -18.132
tors. eta vs tors. theta energy: 0.313
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: 8
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -598.489787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.489787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.489787 (E_RNA)
where:
Base-Base interactions energy: -420.915
where: short stacking energy: -174.466
Base-Backbone interact. energy: 4.715
local terms energy: -182.289851
where:
bonds (distance) C4'-P energy: -39.492
bonds (distance) P-C4' energy: -36.831
flat angles C4'-P-C4' energy: -36.806
flat angles P-C4'-P energy: -23.980
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: 2, replica: 2
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -606.293973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.293973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.293973 (E_RNA)
where:
Base-Base interactions energy: -414.953
where: short stacking energy: -172.503
Base-Backbone interact. energy: -3.329
local terms energy: -188.012026
where:
bonds (distance) C4'-P energy: -37.271
bonds (distance) P-C4' energy: -29.213
flat angles C4'-P-C4' energy: -41.557
flat angles P-C4'-P energy: -30.068
tors. eta vs tors. theta energy: -49.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -569.626279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.626279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.626279 (E_RNA)
where:
Base-Base interactions energy: -402.222
where: short stacking energy: -166.058
Base-Backbone interact. energy: -1.663
local terms energy: -165.741277
where:
bonds (distance) C4'-P energy: -28.883
bonds (distance) P-C4' energy: -34.149
flat angles C4'-P-C4' energy: -37.189
flat angles P-C4'-P energy: -23.603
tors. eta vs tors. theta energy: -41.918
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: 9
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -563.436793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.436793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.436793 (E_RNA)
where:
Base-Base interactions energy: -398.372
where: short stacking energy: -175.655
Base-Backbone interact. energy: 0.397
local terms energy: -165.461218
where:
bonds (distance) C4'-P energy: -24.446
bonds (distance) P-C4' energy: -27.164
flat angles C4'-P-C4' energy: -37.482
flat angles P-C4'-P energy: -24.993
tors. eta vs tors. theta energy: -51.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -528.275526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.275526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.275526 (E_RNA)
where:
Base-Base interactions energy: -353.230
where: short stacking energy: -147.291
Base-Backbone interact. energy: 0.637
local terms energy: -175.682259
where:
bonds (distance) C4'-P energy: -33.492
bonds (distance) P-C4' energy: -38.035
flat angles C4'-P-C4' energy: -36.418
flat angles P-C4'-P energy: -21.698
tors. eta vs tors. theta energy: -46.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -459.475564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.475564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.475564 (E_RNA)
where:
Base-Base interactions energy: -315.576
where: short stacking energy: -135.963
Base-Backbone interact. energy: -0.122
local terms energy: -143.777214
where:
bonds (distance) C4'-P energy: -33.981
bonds (distance) P-C4' energy: -28.882
flat angles C4'-P-C4' energy: -28.285
flat angles P-C4'-P energy: -18.625
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: 7, replica: 10
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -432.410176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.410176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.410176 (E_RNA)
where:
Base-Base interactions energy: -314.509
where: short stacking energy: -139.495
Base-Backbone interact. energy: -1.145
local terms energy: -116.756138
where:
bonds (distance) C4'-P energy: -28.007
bonds (distance) P-C4' energy: -9.610
flat angles C4'-P-C4' energy: -27.439
flat angles P-C4'-P energy: -21.183
tors. eta vs tors. theta energy: -30.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -354.965202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.965202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.965202 (E_RNA)
where:
Base-Base interactions energy: -232.127
where: short stacking energy: -107.534
Base-Backbone interact. energy: -0.120
local terms energy: -122.718134
where:
bonds (distance) C4'-P energy: -25.313
bonds (distance) P-C4' energy: -26.284
flat angles C4'-P-C4' energy: -31.054
flat angles P-C4'-P energy: -19.018
tors. eta vs tors. theta energy: -21.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -309.153201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.153201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.153201 (E_RNA)
where:
Base-Base interactions energy: -189.527
where: short stacking energy: -84.545
Base-Backbone interact. energy: -1.004
local terms energy: -118.621745
where:
bonds (distance) C4'-P energy: -23.379
bonds (distance) P-C4' energy: -30.198
flat angles C4'-P-C4' energy: -30.419
flat angles P-C4'-P energy: -22.160
tors. eta vs tors. theta energy: -12.466
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: 3
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -221.791793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.791793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.791793 (E_RNA)
where:
Base-Base interactions energy: -104.494
where: short stacking energy: -70.181
Base-Backbone interact. energy: -1.156
local terms energy: -116.141851
where:
bonds (distance) C4'-P energy: -34.013
bonds (distance) P-C4' energy: -34.840
flat angles C4'-P-C4' energy: -22.500
flat angles P-C4'-P energy: -15.723
tors. eta vs tors. theta energy: -9.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -598.725583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.725583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.725583 (E_RNA)
where:
Base-Base interactions energy: -414.659
where: short stacking energy: -164.693
Base-Backbone interact. energy: -3.235
local terms energy: -180.831603
where:
bonds (distance) C4'-P energy: -32.108
bonds (distance) P-C4' energy: -37.134
flat angles C4'-P-C4' energy: -37.500
flat angles P-C4'-P energy: -26.357
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: 2, replica: 1
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -582.271186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.271186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.271186 (E_RNA)
where:
Base-Base interactions energy: -406.617
where: short stacking energy: -160.648
Base-Backbone interact. energy: -0.035
local terms energy: -175.618400
where:
bonds (distance) C4'-P energy: -33.246
bonds (distance) P-C4' energy: -36.300
flat angles C4'-P-C4' energy: -34.577
flat angles P-C4'-P energy: -24.247
tors. eta vs tors. theta energy: -47.248
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: 2
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -582.562112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.562112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.562112 (E_RNA)
where:
Base-Base interactions energy: -406.897
where: short stacking energy: -169.770
Base-Backbone interact. energy: -0.750
local terms energy: -174.915425
where:
bonds (distance) C4'-P energy: -37.971
bonds (distance) P-C4' energy: -34.766
flat angles C4'-P-C4' energy: -34.509
flat angles P-C4'-P energy: -22.806
tors. eta vs tors. theta energy: -44.863
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: 9
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -569.323778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.323778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.323778 (E_RNA)
where:
Base-Base interactions energy: -407.504
where: short stacking energy: -176.096
Base-Backbone interact. energy: -0.480
local terms energy: -161.339187
where:
bonds (distance) C4'-P energy: -28.481
bonds (distance) P-C4' energy: -28.845
flat angles C4'-P-C4' energy: -31.628
flat angles P-C4'-P energy: -21.735
tors. eta vs tors. theta energy: -50.650
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: 7
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -552.165165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.165165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.165165 (E_RNA)
where:
Base-Base interactions energy: -386.163
where: short stacking energy: -163.899
Base-Backbone interact. energy: -0.248
local terms energy: -165.754716
where:
bonds (distance) C4'-P energy: -30.925
bonds (distance) P-C4' energy: -32.006
flat angles C4'-P-C4' energy: -32.847
flat angles P-C4'-P energy: -22.093
tors. eta vs tors. theta energy: -47.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -465.108611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.108611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.108611 (E_RNA)
where:
Base-Base interactions energy: -309.609
where: short stacking energy: -134.831
Base-Backbone interact. energy: 0.531
local terms energy: -156.030543
where:
bonds (distance) C4'-P energy: -34.601
bonds (distance) P-C4' energy: -31.757
flat angles C4'-P-C4' energy: -33.116
flat angles P-C4'-P energy: -19.744
tors. eta vs tors. theta energy: -36.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -353.007142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.007142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.007142 (E_RNA)
where:
Base-Base interactions energy: -219.133
where: short stacking energy: -115.624
Base-Backbone interact. energy: -0.257
local terms energy: -133.617052
where:
bonds (distance) C4'-P energy: -25.133
bonds (distance) P-C4' energy: -29.739
flat angles C4'-P-C4' energy: -32.143
flat angles P-C4'-P energy: -18.745
tors. eta vs tors. theta energy: -27.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -336.664758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.664758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.664758 (E_RNA)
where:
Base-Base interactions energy: -207.701
where: short stacking energy: -95.502
Base-Backbone interact. energy: -0.761
local terms energy: -128.202832
where:
bonds (distance) C4'-P energy: -29.236
bonds (distance) P-C4' energy: -35.863
flat angles C4'-P-C4' energy: -32.458
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -18.186
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: 6
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -305.406491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.406491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.406491 (E_RNA)
where:
Base-Base interactions energy: -169.035
where: short stacking energy: -85.799
Base-Backbone interact. energy: 0.082
local terms energy: -136.453544
where:
bonds (distance) C4'-P energy: -27.121
bonds (distance) P-C4' energy: -38.330
flat angles C4'-P-C4' energy: -25.717
flat angles P-C4'-P energy: -25.742
tors. eta vs tors. theta energy: -19.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -217.261678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.261678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.261678 (E_RNA)
where:
Base-Base interactions energy: -110.475
where: short stacking energy: -67.658
Base-Backbone interact. energy: 0.094
local terms energy: -106.880705
where:
bonds (distance) C4'-P energy: -25.464
bonds (distance) P-C4' energy: -31.440
flat angles C4'-P-C4' energy: -24.088
flat angles P-C4'-P energy: -13.550
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: 1, replica: 1
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -596.336028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.336028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.336028 (E_RNA)
where:
Base-Base interactions energy: -404.901
where: short stacking energy: -168.909
Base-Backbone interact. energy: -2.558
local terms energy: -188.876601
where:
bonds (distance) C4'-P energy: -36.742
bonds (distance) P-C4' energy: -37.136
flat angles C4'-P-C4' energy: -37.698
flat angles P-C4'-P energy: -28.885
tors. eta vs tors. theta energy: -48.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -588.356300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.356300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.356300 (E_RNA)
where:
Base-Base interactions energy: -418.709
where: short stacking energy: -175.224
Base-Backbone interact. energy: 5.968
local terms energy: -175.614750
where:
bonds (distance) C4'-P energy: -31.867
bonds (distance) P-C4' energy: -31.719
flat angles C4'-P-C4' energy: -40.075
flat angles P-C4'-P energy: -25.184
tors. eta vs tors. theta energy: -46.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -582.092494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.092494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.092494 (E_RNA)
where:
Base-Base interactions energy: -408.242
where: short stacking energy: -169.255
Base-Backbone interact. energy: -1.976
local terms energy: -171.874544
where:
bonds (distance) C4'-P energy: -32.526
bonds (distance) P-C4' energy: -34.123
flat angles C4'-P-C4' energy: -36.648
flat angles P-C4'-P energy: -25.879
tors. eta vs tors. theta energy: -42.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -566.240541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.240541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.240541 (E_RNA)
where:
Base-Base interactions energy: -403.791
where: short stacking energy: -186.483
Base-Backbone interact. energy: -0.098
local terms energy: -162.351963
where:
bonds (distance) C4'-P energy: -19.995
bonds (distance) P-C4' energy: -26.723
flat angles C4'-P-C4' energy: -39.439
flat angles P-C4'-P energy: -25.592
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: 5, replica: 7
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -539.967437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.967437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.967437 (E_RNA)
where:
Base-Base interactions energy: -374.759
where: short stacking energy: -165.623
Base-Backbone interact. energy: -1.085
local terms energy: -164.124046
where:
bonds (distance) C4'-P energy: -26.201
bonds (distance) P-C4' energy: -36.289
flat angles C4'-P-C4' energy: -39.881
flat angles P-C4'-P energy: -17.087
tors. eta vs tors. theta energy: -44.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -462.252686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.252686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.252686 (E_RNA)
where:
Base-Base interactions energy: -312.368
where: short stacking energy: -137.007
Base-Backbone interact. energy: -0.235
local terms energy: -149.649479
where:
bonds (distance) C4'-P energy: -29.678
bonds (distance) P-C4' energy: -30.762
flat angles C4'-P-C4' energy: -29.584
flat angles P-C4'-P energy: -21.913
tors. eta vs tors. theta energy: -37.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -372.713592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.713592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.713592 (E_RNA)
where:
Base-Base interactions energy: -226.177
where: short stacking energy: -125.640
Base-Backbone interact. energy: -0.507
local terms energy: -146.029673
where:
bonds (distance) C4'-P energy: -33.835
bonds (distance) P-C4' energy: -34.016
flat angles C4'-P-C4' energy: -35.130
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -31.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -355.526084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.526084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.526084 (E_RNA)
where:
Base-Base interactions energy: -231.288
where: short stacking energy: -116.235
Base-Backbone interact. energy: -0.179
local terms energy: -124.059241
where:
bonds (distance) C4'-P energy: -23.830
bonds (distance) P-C4' energy: -26.200
flat angles C4'-P-C4' energy: -29.746
flat angles P-C4'-P energy: -24.504
tors. eta vs tors. theta energy: -19.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -231.257308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.257308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.257308 (E_RNA)
where:
Base-Base interactions energy: -131.515
where: short stacking energy: -71.892
Base-Backbone interact. energy: 3.634
local terms energy: -103.376628
where:
bonds (distance) C4'-P energy: -29.202
bonds (distance) P-C4' energy: -23.686
flat angles C4'-P-C4' energy: -27.890
flat angles P-C4'-P energy: -19.425
tors. eta vs tors. theta energy: -3.172
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: 6
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -305.827751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.827751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.827751 (E_RNA)
where:
Base-Base interactions energy: -184.511
where: short stacking energy: -86.756
Base-Backbone interact. energy: -1.223
local terms energy: -120.093517
where:
bonds (distance) C4'-P energy: -33.893
bonds (distance) P-C4' energy: -31.662
flat angles C4'-P-C4' energy: -23.187
flat angles P-C4'-P energy: -24.242
tors. eta vs tors. theta energy: -7.110
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: 1
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -591.452624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.452624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.452624 (E_RNA)
where:
Base-Base interactions energy: -414.468
where: short stacking energy: -164.171
Base-Backbone interact. energy: 0.627
local terms energy: -177.612056
where:
bonds (distance) C4'-P energy: -33.054
bonds (distance) P-C4' energy: -35.713
flat angles C4'-P-C4' energy: -40.057
flat angles P-C4'-P energy: -25.776
tors. eta vs tors. theta energy: -43.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -588.116016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.116016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.116016 (E_RNA)
where:
Base-Base interactions energy: -418.018
where: short stacking energy: -173.809
Base-Backbone interact. energy: 4.643
local terms energy: -174.740710
where:
bonds (distance) C4'-P energy: -35.831
bonds (distance) P-C4' energy: -33.277
flat angles C4'-P-C4' energy: -33.397
flat angles P-C4'-P energy: -29.888
tors. eta vs tors. theta energy: -42.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -602.923230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.923230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.923230 (E_RNA)
where:
Base-Base interactions energy: -433.885
where: short stacking energy: -174.860
Base-Backbone interact. energy: -1.816
local terms energy: -167.222027
where:
bonds (distance) C4'-P energy: -30.940
bonds (distance) P-C4' energy: -31.806
flat angles C4'-P-C4' energy: -35.131
flat angles P-C4'-P energy: -23.672
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: 4, replica: 9
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -546.325540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.325540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.325540 (E_RNA)
where:
Base-Base interactions energy: -382.945
where: short stacking energy: -166.961
Base-Backbone interact. energy: 2.171
local terms energy: -165.551799
where:
bonds (distance) C4'-P energy: -24.087
bonds (distance) P-C4' energy: -35.602
flat angles C4'-P-C4' energy: -38.538
flat angles P-C4'-P energy: -23.669
tors. eta vs tors. theta energy: -43.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -539.406595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.406595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.406595 (E_RNA)
where:
Base-Base interactions energy: -377.957
where: short stacking energy: -158.675
Base-Backbone interact. energy: -0.092
local terms energy: -161.357409
where:
bonds (distance) C4'-P energy: -28.210
bonds (distance) P-C4' energy: -34.498
flat angles C4'-P-C4' energy: -35.914
flat angles P-C4'-P energy: -14.822
tors. eta vs tors. theta energy: -47.914
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: 5
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -453.428793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.428793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.428793 (E_RNA)
where:
Base-Base interactions energy: -316.825
where: short stacking energy: -143.668
Base-Backbone interact. energy: 0.252
local terms energy: -136.855646
where:
bonds (distance) C4'-P energy: -23.245
bonds (distance) P-C4' energy: -30.401
flat angles C4'-P-C4' energy: -28.548
flat angles P-C4'-P energy: -16.731
tors. eta vs tors. theta energy: -37.930
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: 269
Temperature: 1.200000
Total energy: -389.405485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.405485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.405485 (E_RNA)
where:
Base-Base interactions energy: -256.293
where: short stacking energy: -135.554
Base-Backbone interact. energy: 1.247
local terms energy: -134.359679
where:
bonds (distance) C4'-P energy: -33.073
bonds (distance) P-C4' energy: -30.531
flat angles C4'-P-C4' energy: -27.872
flat angles P-C4'-P energy: -19.149
tors. eta vs tors. theta energy: -23.734
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: 10
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -360.399972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.399972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.399972 (E_RNA)
where:
Base-Base interactions energy: -226.714
where: short stacking energy: -122.776
Base-Backbone interact. energy: -0.268
local terms energy: -133.417939
where:
bonds (distance) C4'-P energy: -27.076
bonds (distance) P-C4' energy: -27.829
flat angles C4'-P-C4' energy: -30.303
flat angles P-C4'-P energy: -18.781
tors. eta vs tors. theta energy: -29.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -218.939496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.939496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.939496 (E_RNA)
where:
Base-Base interactions energy: -112.401
where: short stacking energy: -65.113
Base-Backbone interact. energy: -1.051
local terms energy: -105.486919
where:
bonds (distance) C4'-P energy: -20.033
bonds (distance) P-C4' energy: -33.090
flat angles C4'-P-C4' energy: -34.422
flat angles P-C4'-P energy: -15.730
tors. eta vs tors. theta energy: -2.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -348.810789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.810789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.810789 (E_RNA)
where:
Base-Base interactions energy: -219.524
where: short stacking energy: -87.369
Base-Backbone interact. energy: 1.241
local terms energy: -130.528278
where:
bonds (distance) C4'-P energy: -34.711
bonds (distance) P-C4' energy: -29.469
flat angles C4'-P-C4' energy: -32.540
flat angles P-C4'-P energy: -16.074
tors. eta vs tors. theta energy: -17.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -590.732176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.732176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.732176 (E_RNA)
where:
Base-Base interactions energy: -412.015
where: short stacking energy: -171.489
Base-Backbone interact. energy: -1.329
local terms energy: -177.387932
where:
bonds (distance) C4'-P energy: -33.325
bonds (distance) P-C4' energy: -33.908
flat angles C4'-P-C4' energy: -37.524
flat angles P-C4'-P energy: -22.456
tors. eta vs tors. theta energy: -50.176
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: 8
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -596.915323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.915323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.915323 (E_RNA)
where:
Base-Base interactions energy: -421.912
where: short stacking energy: -170.103
Base-Backbone interact. energy: -2.183
local terms energy: -172.819948
where:
bonds (distance) C4'-P energy: -30.729
bonds (distance) P-C4' energy: -31.802
flat angles C4'-P-C4' energy: -39.847
flat angles P-C4'-P energy: -21.568
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: 3, replica: 2
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -589.930066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.930066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.930066 (E_RNA)
where:
Base-Base interactions energy: -423.865
where: short stacking energy: -160.401
Base-Backbone interact. energy: -1.665
local terms energy: -164.400050
where:
bonds (distance) C4'-P energy: -31.525
bonds (distance) P-C4' energy: -28.358
flat angles C4'-P-C4' energy: -36.641
flat angles P-C4'-P energy: -24.509
tors. eta vs tors. theta energy: -43.368
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: 9
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -556.894943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.894943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.894943 (E_RNA)
where:
Base-Base interactions energy: -374.355
where: short stacking energy: -184.423
Base-Backbone interact. energy: -0.120
local terms energy: -182.420433
where:
bonds (distance) C4'-P energy: -33.031
bonds (distance) P-C4' energy: -37.079
flat angles C4'-P-C4' energy: -31.066
flat angles P-C4'-P energy: -27.715
tors. eta vs tors. theta energy: -53.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -515.111720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.111720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.111720 (E_RNA)
where:
Base-Base interactions energy: -362.172
where: short stacking energy: -153.946
Base-Backbone interact. energy: -0.580
local terms energy: -152.359429
where:
bonds (distance) C4'-P energy: -24.296
bonds (distance) P-C4' energy: -31.087
flat angles C4'-P-C4' energy: -37.795
flat angles P-C4'-P energy: -17.178
tors. eta vs tors. theta energy: -42.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -444.136124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.136124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.136124 (E_RNA)
where:
Base-Base interactions energy: -295.665
where: short stacking energy: -122.854
Base-Backbone interact. energy: -0.532
local terms energy: -147.938865
where:
bonds (distance) C4'-P energy: -29.629
bonds (distance) P-C4' energy: -34.432
flat angles C4'-P-C4' energy: -32.073
flat angles P-C4'-P energy: -21.229
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: 7, replica: 4
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -398.348093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.348093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.348093 (E_RNA)
where:
Base-Base interactions energy: -267.192
where: short stacking energy: -124.362
Base-Backbone interact. energy: -0.142
local terms energy: -131.014935
where:
bonds (distance) C4'-P energy: -22.363
bonds (distance) P-C4' energy: -27.150
flat angles C4'-P-C4' energy: -31.698
flat angles P-C4'-P energy: -21.511
tors. eta vs tors. theta energy: -28.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -352.578440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.578440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.578440 (E_RNA)
where:
Base-Base interactions energy: -227.281
where: short stacking energy: -106.973
Base-Backbone interact. energy: -0.711
local terms energy: -124.586216
where:
bonds (distance) C4'-P energy: -27.618
bonds (distance) P-C4' energy: -33.178
flat angles C4'-P-C4' energy: -30.161
flat angles P-C4'-P energy: -11.653
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: 9, replica: 6
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -343.492086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.492086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.492086 (E_RNA)
where:
Base-Base interactions energy: -214.214
where: short stacking energy: -88.704
Base-Backbone interact. energy: 0.087
local terms energy: -129.364952
where:
bonds (distance) C4'-P energy: -31.345
bonds (distance) P-C4' energy: -30.235
flat angles C4'-P-C4' energy: -30.918
flat angles P-C4'-P energy: -19.693
tors. eta vs tors. theta energy: -17.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -223.502127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.502127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.502127 (E_RNA)
where:
Base-Base interactions energy: -114.526
where: short stacking energy: -67.447
Base-Backbone interact. energy: -1.138
local terms energy: -107.838346
where:
bonds (distance) C4'-P energy: -32.937
bonds (distance) P-C4' energy: -32.032
flat angles C4'-P-C4' energy: -23.860
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -7.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -587.389589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.389589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.389589 (E_RNA)
where:
Base-Base interactions energy: -409.303
where: short stacking energy: -161.678
Base-Backbone interact. energy: -0.871
local terms energy: -177.216114
where:
bonds (distance) C4'-P energy: -33.106
bonds (distance) P-C4' energy: -39.067
flat angles C4'-P-C4' energy: -35.355
flat angles P-C4'-P energy: -30.231
tors. eta vs tors. theta energy: -39.457
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: 271
Temperature: 0.950000
Total energy: -583.462018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.462018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.462018 (E_RNA)
where:
Base-Base interactions energy: -415.104
where: short stacking energy: -161.178
Base-Backbone interact. energy: 4.533
local terms energy: -172.891002
where:
bonds (distance) C4'-P energy: -28.989
bonds (distance) P-C4' energy: -39.969
flat angles C4'-P-C4' energy: -38.329
flat angles P-C4'-P energy: -25.477
tors. eta vs tors. theta energy: -40.127
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: 3, replica: 2
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -578.193387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.193387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.193387 (E_RNA)
where:
Base-Base interactions energy: -404.870
where: short stacking energy: -163.268
Base-Backbone interact. energy: -1.329
local terms energy: -171.994308
where:
bonds (distance) C4'-P energy: -33.574
bonds (distance) P-C4' energy: -33.736
flat angles C4'-P-C4' energy: -35.712
flat angles P-C4'-P energy: -27.942
tors. eta vs tors. theta energy: -41.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -575.171404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.171404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.171404 (E_RNA)
where:
Base-Base interactions energy: -411.006
where: short stacking energy: -176.924
Base-Backbone interact. energy: -0.037
local terms energy: -164.128225
where:
bonds (distance) C4'-P energy: -22.727
bonds (distance) P-C4' energy: -36.489
flat angles C4'-P-C4' energy: -31.131
flat angles P-C4'-P energy: -21.791
tors. eta vs tors. theta energy: -51.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -517.663736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.663736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.663736 (E_RNA)
where:
Base-Base interactions energy: -370.035
where: short stacking energy: -158.441
Base-Backbone interact. energy: -0.955
local terms energy: -146.674456
where:
bonds (distance) C4'-P energy: -29.953
bonds (distance) P-C4' energy: -25.620
flat angles C4'-P-C4' energy: -29.416
flat angles P-C4'-P energy: -17.876
tors. eta vs tors. theta energy: -43.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -442.659204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.659204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.659204 (E_RNA)
where:
Base-Base interactions energy: -293.882
where: short stacking energy: -129.102
Base-Backbone interact. energy: -1.041
local terms energy: -147.736733
where:
bonds (distance) C4'-P energy: -32.879
bonds (distance) P-C4' energy: -25.825
flat angles C4'-P-C4' energy: -34.543
flat angles P-C4'-P energy: -19.888
tors. eta vs tors. theta energy: -34.601
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: 4
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -409.140232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.140232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.140232 (E_RNA)
where:
Base-Base interactions energy: -262.765
where: short stacking energy: -134.503
Base-Backbone interact. energy: -0.436
local terms energy: -145.939097
where:
bonds (distance) C4'-P energy: -26.861
bonds (distance) P-C4' energy: -35.443
flat angles C4'-P-C4' energy: -34.485
flat angles P-C4'-P energy: -15.228
tors. eta vs tors. theta energy: -33.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -372.992016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.992016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.992016 (E_RNA)
where:
Base-Base interactions energy: -240.444
where: short stacking energy: -112.326
Base-Backbone interact. energy: -0.716
local terms energy: -131.832173
where:
bonds (distance) C4'-P energy: -29.045
bonds (distance) P-C4' energy: -30.869
flat angles C4'-P-C4' energy: -31.192
flat angles P-C4'-P energy: -15.820
tors. eta vs tors. theta energy: -24.906
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: 271
Temperature: 1.300000
Total energy: -360.917549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.917549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.917549 (E_RNA)
where:
Base-Base interactions energy: -234.251
where: short stacking energy: -127.163
Base-Backbone interact. energy: 1.255
local terms energy: -127.921865
where:
bonds (distance) C4'-P energy: -20.076
bonds (distance) P-C4' energy: -26.175
flat angles C4'-P-C4' energy: -31.105
flat angles P-C4'-P energy: -13.813
tors. eta vs tors. theta energy: -36.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -223.782940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.782940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.782940 (E_RNA)
where:
Base-Base interactions energy: -116.103
where: short stacking energy: -69.822
Base-Backbone interact. energy: -0.018
local terms energy: -107.661473
where:
bonds (distance) C4'-P energy: -20.391
bonds (distance) P-C4' energy: -28.303
flat angles C4'-P-C4' energy: -33.159
flat angles P-C4'-P energy: -15.058
tors. eta vs tors. theta energy: -10.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -593.275338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.275338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.275338 (E_RNA)
where:
Base-Base interactions energy: -404.740
where: short stacking energy: -168.017
Base-Backbone interact. energy: -0.256
local terms energy: -188.279344
where:
bonds (distance) C4'-P energy: -35.627
bonds (distance) P-C4' energy: -39.789
flat angles C4'-P-C4' energy: -37.067
flat angles P-C4'-P energy: -26.980
tors. eta vs tors. theta energy: -48.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -585.036729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.036729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.036729 (E_RNA)
where:
Base-Base interactions energy: -406.045
where: short stacking energy: -167.951
Base-Backbone interact. energy: 4.569
local terms energy: -183.561354
where:
bonds (distance) C4'-P energy: -34.378
bonds (distance) P-C4' energy: -38.317
flat angles C4'-P-C4' energy: -39.601
flat angles P-C4'-P energy: -29.630
tors. eta vs tors. theta energy: -41.636
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: 9
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -573.621636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.621636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.621636 (E_RNA)
where:
Base-Base interactions energy: -391.377
where: short stacking energy: -174.783
Base-Backbone interact. energy: -0.063
local terms energy: -182.181593
where:
bonds (distance) C4'-P energy: -33.647
bonds (distance) P-C4' energy: -32.388
flat angles C4'-P-C4' energy: -33.659
flat angles P-C4'-P energy: -32.344
tors. eta vs tors. theta energy: -50.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -539.329727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.329727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.329727 (E_RNA)
where:
Base-Base interactions energy: -384.802
where: short stacking energy: -150.761
Base-Backbone interact. energy: -0.664
local terms energy: -153.863460
where:
bonds (distance) C4'-P energy: -33.264
bonds (distance) P-C4' energy: -32.576
flat angles C4'-P-C4' energy: -34.506
flat angles P-C4'-P energy: -18.738
tors. eta vs tors. theta energy: -34.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -512.541574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.541574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.541574 (E_RNA)
where:
Base-Base interactions energy: -352.738
where: short stacking energy: -152.702
Base-Backbone interact. energy: -0.227
local terms energy: -159.575803
where:
bonds (distance) C4'-P energy: -35.492
bonds (distance) P-C4' energy: -28.721
flat angles C4'-P-C4' energy: -33.265
flat angles P-C4'-P energy: -21.846
tors. eta vs tors. theta energy: -40.251
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: 6, replica: 5
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -438.311471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.311471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.311471 (E_RNA)
where:
Base-Base interactions energy: -304.590
where: short stacking energy: -137.156
Base-Backbone interact. energy: -0.807
local terms energy: -132.914295
where:
bonds (distance) C4'-P energy: -29.759
bonds (distance) P-C4' energy: -20.984
flat angles C4'-P-C4' energy: -26.472
flat angles P-C4'-P energy: -23.170
tors. eta vs tors. theta energy: -32.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -396.190813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.190813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.190813 (E_RNA)
where:
Base-Base interactions energy: -263.124
where: short stacking energy: -133.171
Base-Backbone interact. energy: -0.355
local terms energy: -132.711535
where:
bonds (distance) C4'-P energy: -27.581
bonds (distance) P-C4' energy: -29.772
flat angles C4'-P-C4' energy: -33.699
flat angles P-C4'-P energy: -14.610
tors. eta vs tors. theta energy: -27.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -333.020581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.020581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.020581 (E_RNA)
where:
Base-Base interactions energy: -211.930
where: short stacking energy: -88.102
Base-Backbone interact. energy: -0.849
local terms energy: -120.241595
where:
bonds (distance) C4'-P energy: -31.216
bonds (distance) P-C4' energy: -27.448
flat angles C4'-P-C4' energy: -31.924
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -18.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -343.077613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.077613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.077613 (E_RNA)
where:
Base-Base interactions energy: -217.767
where: short stacking energy: -111.325
Base-Backbone interact. energy: 0.763
local terms energy: -126.073863
where:
bonds (distance) C4'-P energy: -27.769
bonds (distance) P-C4' energy: -26.456
flat angles C4'-P-C4' energy: -32.590
flat angles P-C4'-P energy: -13.292
tors. eta vs tors. theta energy: -25.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -206.237079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.237079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.237079 (E_RNA)
where:
Base-Base interactions energy: -106.820
where: short stacking energy: -56.845
Base-Backbone interact. energy: -0.939
local terms energy: -98.477688
where:
bonds (distance) C4'-P energy: -25.158
bonds (distance) P-C4' energy: -34.177
flat angles C4'-P-C4' energy: -22.370
flat angles P-C4'-P energy: -22.733
tors. eta vs tors. theta energy: 5.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -590.712192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.712192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.712192 (E_RNA)
where:
Base-Base interactions energy: -412.855
where: short stacking energy: -165.085
Base-Backbone interact. energy: -1.980
local terms energy: -175.877011
where:
bonds (distance) C4'-P energy: -32.865
bonds (distance) P-C4' energy: -35.570
flat angles C4'-P-C4' energy: -35.089
flat angles P-C4'-P energy: -29.419
tors. eta vs tors. theta energy: -42.934
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: 9
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -590.828045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.828045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.828045 (E_RNA)
where:
Base-Base interactions energy: -408.087
where: short stacking energy: -186.830
Base-Backbone interact. energy: -0.219
local terms energy: -182.522573
where:
bonds (distance) C4'-P energy: -29.327
bonds (distance) P-C4' energy: -32.775
flat angles C4'-P-C4' energy: -43.073
flat angles P-C4'-P energy: -25.756
tors. eta vs tors. theta energy: -51.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -603.569853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.569853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.569853 (E_RNA)
where:
Base-Base interactions energy: -434.686
where: short stacking energy: -172.735
Base-Backbone interact. energy: 5.488
local terms energy: -174.372039
where:
bonds (distance) C4'-P energy: -34.497
bonds (distance) P-C4' energy: -34.339
flat angles C4'-P-C4' energy: -41.152
flat angles P-C4'-P energy: -17.408
tors. eta vs tors. theta energy: -46.976
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: 2
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -557.516684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.516684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.516684 (E_RNA)
where:
Base-Base interactions energy: -408.558
where: short stacking energy: -151.321
Base-Backbone interact. energy: -1.345
local terms energy: -147.613395
where:
bonds (distance) C4'-P energy: -27.696
bonds (distance) P-C4' energy: -25.602
flat angles C4'-P-C4' energy: -30.541
flat angles P-C4'-P energy: -27.660
tors. eta vs tors. theta energy: -36.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -483.986178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.986178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.986178 (E_RNA)
where:
Base-Base interactions energy: -336.979
where: short stacking energy: -156.203
Base-Backbone interact. energy: -0.228
local terms energy: -146.779603
where:
bonds (distance) C4'-P energy: -29.795
bonds (distance) P-C4' energy: -26.170
flat angles C4'-P-C4' energy: -32.277
flat angles P-C4'-P energy: -16.125
tors. eta vs tors. theta energy: -42.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -446.841746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.841746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.841746 (E_RNA)
where:
Base-Base interactions energy: -304.527
where: short stacking energy: -134.556
Base-Backbone interact. energy: 3.895
local terms energy: -146.209745
where:
bonds (distance) C4'-P energy: -35.085
bonds (distance) P-C4' energy: -29.249
flat angles C4'-P-C4' energy: -27.701
flat angles P-C4'-P energy: -21.189
tors. eta vs tors. theta energy: -32.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -391.763614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.763614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.763614 (E_RNA)
where:
Base-Base interactions energy: -235.970
where: short stacking energy: -128.027
Base-Backbone interact. energy: 0.323
local terms energy: -156.116487
where:
bonds (distance) C4'-P energy: -33.100
bonds (distance) P-C4' energy: -31.142
flat angles C4'-P-C4' energy: -36.584
flat angles P-C4'-P energy: -22.749
tors. eta vs tors. theta energy: -32.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -359.959872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.959872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.959872 (E_RNA)
where:
Base-Base interactions energy: -219.905
where: short stacking energy: -113.225
Base-Backbone interact. energy: -0.616
local terms energy: -139.438795
where:
bonds (distance) C4'-P energy: -29.792
bonds (distance) P-C4' energy: -29.490
flat angles C4'-P-C4' energy: -30.934
flat angles P-C4'-P energy: -21.339
tors. eta vs tors. theta energy: -27.883
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: 6
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -322.603637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.603637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.603637 (E_RNA)
where:
Base-Base interactions energy: -192.125
where: short stacking energy: -92.393
Base-Backbone interact. energy: -0.968
local terms energy: -129.510731
where:
bonds (distance) C4'-P energy: -28.995
bonds (distance) P-C4' energy: -31.461
flat angles C4'-P-C4' energy: -25.832
flat angles P-C4'-P energy: -23.872
tors. eta vs tors. theta energy: -19.351
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: 3
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -241.159969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.159969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.159969 (E_RNA)
where:
Base-Base interactions energy: -131.601
where: short stacking energy: -65.860
Base-Backbone interact. energy: 0.201
local terms energy: -109.759885
where:
bonds (distance) C4'-P energy: -21.216
bonds (distance) P-C4' energy: -28.393
flat angles C4'-P-C4' energy: -35.103
flat angles P-C4'-P energy: -15.202
tors. eta vs tors. theta energy: -9.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -595.996835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.996835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.996835 (E_RNA)
where:
Base-Base interactions energy: -418.479
where: short stacking energy: -170.250
Base-Backbone interact. energy: -0.316
local terms energy: -177.201884
where:
bonds (distance) C4'-P energy: -29.825
bonds (distance) P-C4' energy: -36.827
flat angles C4'-P-C4' energy: -42.550
flat angles P-C4'-P energy: -22.926
tors. eta vs tors. theta energy: -45.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -599.403693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.403693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.403693 (E_RNA)
where:
Base-Base interactions energy: -408.501
where: short stacking energy: -190.288
Base-Backbone interact. energy: -1.100
local terms energy: -189.802866
where:
bonds (distance) C4'-P energy: -34.720
bonds (distance) P-C4' energy: -28.863
flat angles C4'-P-C4' energy: -40.118
flat angles P-C4'-P energy: -31.255
tors. eta vs tors. theta energy: -54.847
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: 8
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -596.925976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.925976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.925976 (E_RNA)
where:
Base-Base interactions energy: -432.773
where: short stacking energy: -175.948
Base-Backbone interact. energy: 4.787
local terms energy: -168.939607
where:
bonds (distance) C4'-P energy: -32.096
bonds (distance) P-C4' energy: -30.719
flat angles C4'-P-C4' energy: -39.669
flat angles P-C4'-P energy: -22.679
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: 4, replica: 2
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -560.246971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.246971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.246971 (E_RNA)
where:
Base-Base interactions energy: -394.174
where: short stacking energy: -156.314
Base-Backbone interact. energy: -0.763
local terms energy: -165.310878
where:
bonds (distance) C4'-P energy: -33.606
bonds (distance) P-C4' energy: -33.453
flat angles C4'-P-C4' energy: -40.403
flat angles P-C4'-P energy: -21.304
tors. eta vs tors. theta energy: -36.544
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: 7
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -470.689257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.689257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.689257 (E_RNA)
where:
Base-Base interactions energy: -308.752
where: short stacking energy: -141.194
Base-Backbone interact. energy: -1.010
local terms energy: -160.928081
where:
bonds (distance) C4'-P energy: -32.048
bonds (distance) P-C4' energy: -33.463
flat angles C4'-P-C4' energy: -35.736
flat angles P-C4'-P energy: -18.394
tors. eta vs tors. theta energy: -41.287
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: 274
Temperature: 1.150000
Total energy: -432.936741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.936741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.936741 (E_RNA)
where:
Base-Base interactions energy: -286.570
where: short stacking energy: -119.440
Base-Backbone interact. energy: -0.445
local terms energy: -145.921374
where:
bonds (distance) C4'-P energy: -32.780
bonds (distance) P-C4' energy: -25.437
flat angles C4'-P-C4' energy: -37.600
flat angles P-C4'-P energy: -23.777
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: 7, replica: 4
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -347.587991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.587991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.587991 (E_RNA)
where:
Base-Base interactions energy: -213.160
where: short stacking energy: -103.736
Base-Backbone interact. energy: -0.504
local terms energy: -133.923568
where:
bonds (distance) C4'-P energy: -28.966
bonds (distance) P-C4' energy: -31.908
flat angles C4'-P-C4' energy: -26.282
flat angles P-C4'-P energy: -20.200
tors. eta vs tors. theta energy: -26.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -361.612288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.612288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.612288 (E_RNA)
where:
Base-Base interactions energy: -235.966
where: short stacking energy: -96.612
Base-Backbone interact. energy: -0.653
local terms energy: -124.993074
where:
bonds (distance) C4'-P energy: -38.388
bonds (distance) P-C4' energy: -33.104
flat angles C4'-P-C4' energy: -21.897
flat angles P-C4'-P energy: -13.940
tors. eta vs tors. theta energy: -17.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -325.567177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.567177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.567177 (E_RNA)
where:
Base-Base interactions energy: -205.401
where: short stacking energy: -85.756
Base-Backbone interact. energy: -0.673
local terms energy: -119.492996
where:
bonds (distance) C4'-P energy: -24.693
bonds (distance) P-C4' energy: -30.761
flat angles C4'-P-C4' energy: -31.933
flat angles P-C4'-P energy: -24.216
tors. eta vs tors. theta energy: -7.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -243.311758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.311758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.311758 (E_RNA)
where:
Base-Base interactions energy: -139.117
where: short stacking energy: -68.300
Base-Backbone interact. energy: -0.508
local terms energy: -103.686369
where:
bonds (distance) C4'-P energy: -20.880
bonds (distance) P-C4' energy: -28.878
flat angles C4'-P-C4' energy: -30.489
flat angles P-C4'-P energy: -18.915
tors. eta vs tors. theta energy: -4.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -597.409616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.409616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.409616 (E_RNA)
where:
Base-Base interactions energy: -411.622
where: short stacking energy: -173.509
Base-Backbone interact. energy: -0.307
local terms energy: -185.480233
where:
bonds (distance) C4'-P energy: -37.813
bonds (distance) P-C4' energy: -35.990
flat angles C4'-P-C4' energy: -38.437
flat angles P-C4'-P energy: -26.904
tors. eta vs tors. theta energy: -46.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -618.983551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.983551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.983551 (E_RNA)
where:
Base-Base interactions energy: -417.077
where: short stacking energy: -193.122
Base-Backbone interact. energy: -0.244
local terms energy: -201.661957
where:
bonds (distance) C4'-P energy: -36.389
bonds (distance) P-C4' energy: -36.715
flat angles C4'-P-C4' energy: -43.530
flat angles P-C4'-P energy: -28.040
tors. eta vs tors. theta energy: -56.988
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: 8
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -564.022217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.022217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.022217 (E_RNA)
where:
Base-Base interactions energy: -391.789
where: short stacking energy: -171.416
Base-Backbone interact. energy: 1.264
local terms energy: -173.496710
where:
bonds (distance) C4'-P energy: -29.988
bonds (distance) P-C4' energy: -28.393
flat angles C4'-P-C4' energy: -41.898
flat angles P-C4'-P energy: -24.250
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: 4, replica: 2
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -570.302217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.302217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.302217 (E_RNA)
where:
Base-Base interactions energy: -409.340
where: short stacking energy: -169.236
Base-Backbone interact. energy: -1.488
local terms energy: -159.474162
where:
bonds (distance) C4'-P energy: -30.314
bonds (distance) P-C4' energy: -28.417
flat angles C4'-P-C4' energy: -32.073
flat angles P-C4'-P energy: -24.526
tors. eta vs tors. theta energy: -44.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -467.272490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.272490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.272490 (E_RNA)
where:
Base-Base interactions energy: -307.733
where: short stacking energy: -140.375
Base-Backbone interact. energy: -0.657
local terms energy: -158.882869
where:
bonds (distance) C4'-P energy: -29.426
bonds (distance) P-C4' energy: -37.060
flat angles C4'-P-C4' energy: -33.405
flat angles P-C4'-P energy: -23.610
tors. eta vs tors. theta energy: -35.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -428.554074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.554074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.554074 (E_RNA)
where:
Base-Base interactions energy: -276.560
where: short stacking energy: -131.899
Base-Backbone interact. energy: -0.509
local terms energy: -151.484103
where:
bonds (distance) C4'-P energy: -28.452
bonds (distance) P-C4' energy: -36.426
flat angles C4'-P-C4' energy: -33.842
flat angles P-C4'-P energy: -20.517
tors. eta vs tors. theta energy: -32.248
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: 4
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -353.232273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.232273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.232273 (E_RNA)
where:
Base-Base interactions energy: -212.914
where: short stacking energy: -107.227
Base-Backbone interact. energy: -0.053
local terms energy: -140.265655
where:
bonds (distance) C4'-P energy: -29.649
bonds (distance) P-C4' energy: -29.674
flat angles C4'-P-C4' energy: -36.552
flat angles P-C4'-P energy: -16.739
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: 8, replica: 10
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -406.327592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.327592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.327592 (E_RNA)
where:
Base-Base interactions energy: -285.252
where: short stacking energy: -136.534
Base-Backbone interact. energy: -0.976
local terms energy: -120.099448
where:
bonds (distance) C4'-P energy: -23.213
bonds (distance) P-C4' energy: -24.775
flat angles C4'-P-C4' energy: -34.834
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -26.615
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: 6
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -332.455393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.455393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.455393 (E_RNA)
where:
Base-Base interactions energy: -208.406
where: short stacking energy: -92.960
Base-Backbone interact. energy: 2.289
local terms energy: -126.338163
where:
bonds (distance) C4'-P energy: -24.093
bonds (distance) P-C4' energy: -22.428
flat angles C4'-P-C4' energy: -33.485
flat angles P-C4'-P energy: -23.965
tors. eta vs tors. theta energy: -22.367
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: 3
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -225.590919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.590919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.590919 (E_RNA)
where:
Base-Base interactions energy: -107.139
where: short stacking energy: -64.099
Base-Backbone interact. energy: -0.234
local terms energy: -118.217694
where:
bonds (distance) C4'-P energy: -34.535
bonds (distance) P-C4' energy: -29.913
flat angles C4'-P-C4' energy: -33.099
flat angles P-C4'-P energy: -17.906
tors. eta vs tors. theta energy: -2.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -598.770726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.770726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.770726 (E_RNA)
where:
Base-Base interactions energy: -403.375
where: short stacking energy: -184.424
Base-Backbone interact. energy: -0.615
local terms energy: -194.780892
where:
bonds (distance) C4'-P energy: -36.326
bonds (distance) P-C4' energy: -36.856
flat angles C4'-P-C4' energy: -38.852
flat angles P-C4'-P energy: -28.756
tors. eta vs tors. theta energy: -53.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -603.475606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.475606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.475606 (E_RNA)
where:
Base-Base interactions energy: -433.322
where: short stacking energy: -171.697
Base-Backbone interact. energy: -3.359
local terms energy: -166.794097
where:
bonds (distance) C4'-P energy: -22.085
bonds (distance) P-C4' energy: -36.713
flat angles C4'-P-C4' energy: -35.721
flat angles P-C4'-P energy: -25.820
tors. eta vs tors. theta energy: -46.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -567.200580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.200580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.200580 (E_RNA)
where:
Base-Base interactions energy: -406.163
where: short stacking energy: -168.724
Base-Backbone interact. energy: -0.247
local terms energy: -160.790773
where:
bonds (distance) C4'-P energy: -28.525
bonds (distance) P-C4' energy: -33.135
flat angles C4'-P-C4' energy: -34.641
flat angles P-C4'-P energy: -20.380
tors. eta vs tors. theta energy: -44.110
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: 4, replica: 8
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -545.241243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.241243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.241243 (E_RNA)
where:
Base-Base interactions energy: -384.637
where: short stacking energy: -152.055
Base-Backbone interact. energy: -0.525
local terms energy: -160.079060
where:
bonds (distance) C4'-P energy: -29.449
bonds (distance) P-C4' energy: -29.834
flat angles C4'-P-C4' energy: -33.636
flat angles P-C4'-P energy: -22.611
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: 5, replica: 7
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -520.728276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.728276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.728276 (E_RNA)
where:
Base-Base interactions energy: -361.666
where: short stacking energy: -158.583
Base-Backbone interact. energy: -0.023
local terms energy: -159.039241
where:
bonds (distance) C4'-P energy: -31.633
bonds (distance) P-C4' energy: -31.767
flat angles C4'-P-C4' energy: -29.635
flat angles P-C4'-P energy: -25.411
tors. eta vs tors. theta energy: -40.594
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: 276
Temperature: 1.150000
Total energy: -421.232181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.232181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.232181 (E_RNA)
where:
Base-Base interactions energy: -279.015
where: short stacking energy: -125.061
Base-Backbone interact. energy: -0.383
local terms energy: -141.834821
where:
bonds (distance) C4'-P energy: -34.785
bonds (distance) P-C4' energy: -31.138
flat angles C4'-P-C4' energy: -27.592
flat angles P-C4'-P energy: -20.927
tors. eta vs tors. theta energy: -27.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -411.644150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.644150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.644150 (E_RNA)
where:
Base-Base interactions energy: -265.905
where: short stacking energy: -121.117
Base-Backbone interact. energy: -0.507
local terms energy: -145.232109
where:
bonds (distance) C4'-P energy: -29.484
bonds (distance) P-C4' energy: -33.088
flat angles C4'-P-C4' energy: -30.314
flat angles P-C4'-P energy: -20.085
tors. eta vs tors. theta energy: -32.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -359.204272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.204272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.204272 (E_RNA)
where:
Base-Base interactions energy: -225.322
where: short stacking energy: -105.867
Base-Backbone interact. energy: -0.356
local terms energy: -133.526090
where:
bonds (distance) C4'-P energy: -28.072
bonds (distance) P-C4' energy: -34.257
flat angles C4'-P-C4' energy: -33.795
flat angles P-C4'-P energy: -19.710
tors. eta vs tors. theta energy: -17.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -315.148013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.148013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.148013 (E_RNA)
where:
Base-Base interactions energy: -192.102
where: short stacking energy: -102.548
Base-Backbone interact. energy: -0.579
local terms energy: -122.467198
where:
bonds (distance) C4'-P energy: -27.409
bonds (distance) P-C4' energy: -26.946
flat angles C4'-P-C4' energy: -25.230
flat angles P-C4'-P energy: -16.291
tors. eta vs tors. theta energy: -26.591
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: 3
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -223.753572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.753572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.753572 (E_RNA)
where:
Base-Base interactions energy: -112.448
where: short stacking energy: -65.437
Base-Backbone interact. energy: -0.006
local terms energy: -111.300383
where:
bonds (distance) C4'-P energy: -35.006
bonds (distance) P-C4' energy: -28.866
flat angles C4'-P-C4' energy: -24.630
flat angles P-C4'-P energy: -14.159
tors. eta vs tors. theta energy: -8.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -613.558546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.558546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.558546 (E_RNA)
where:
Base-Base interactions energy: -433.828
where: short stacking energy: -197.659
Base-Backbone interact. energy: -0.981
local terms energy: -178.750126
where:
bonds (distance) C4'-P energy: -33.562
bonds (distance) P-C4' energy: -31.560
flat angles C4'-P-C4' energy: -36.725
flat angles P-C4'-P energy: -23.878
tors. eta vs tors. theta energy: -53.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -567.203385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.203385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.203385 (E_RNA)
where:
Base-Base interactions energy: -396.580
where: short stacking energy: -165.598
Base-Backbone interact. energy: 0.073
local terms energy: -170.695949
where:
bonds (distance) C4'-P energy: -35.045
bonds (distance) P-C4' energy: -34.306
flat angles C4'-P-C4' energy: -35.742
flat angles P-C4'-P energy: -26.582
tors. eta vs tors. theta energy: -39.021
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: 1
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -585.952151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.952151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.952151 (E_RNA)
where:
Base-Base interactions energy: -415.858
where: short stacking energy: -172.446
Base-Backbone interact. energy: -1.485
local terms energy: -168.609264
where:
bonds (distance) C4'-P energy: -25.238
bonds (distance) P-C4' energy: -36.245
flat angles C4'-P-C4' energy: -36.262
flat angles P-C4'-P energy: -23.657
tors. eta vs tors. theta energy: -47.208
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: 277
Temperature: 1.050000
Total energy: -547.100628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.100628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.100628 (E_RNA)
where:
Base-Base interactions energy: -377.285
where: short stacking energy: -150.976
Base-Backbone interact. energy: 1.843
local terms energy: -171.658017
where:
bonds (distance) C4'-P energy: -29.456
bonds (distance) P-C4' energy: -34.913
flat angles C4'-P-C4' energy: -37.327
flat angles P-C4'-P energy: -28.668
tors. eta vs tors. theta energy: -41.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -523.055972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.055972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.055972 (E_RNA)
where:
Base-Base interactions energy: -372.796
where: short stacking energy: -166.745
Base-Backbone interact. energy: 1.655
local terms energy: -151.915344
where:
bonds (distance) C4'-P energy: -32.582
bonds (distance) P-C4' energy: -34.560
flat angles C4'-P-C4' energy: -27.423
flat angles P-C4'-P energy: -17.994
tors. eta vs tors. theta energy: -39.357
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: 5
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -449.779470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.779470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.779470 (E_RNA)
where:
Base-Base interactions energy: -300.891
where: short stacking energy: -140.625
Base-Backbone interact. energy: -0.703
local terms energy: -148.186043
where:
bonds (distance) C4'-P energy: -28.599
bonds (distance) P-C4' energy: -29.333
flat angles C4'-P-C4' energy: -32.536
flat angles P-C4'-P energy: -24.444
tors. eta vs tors. theta energy: -33.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -408.863598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.863598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.863598 (E_RNA)
where:
Base-Base interactions energy: -250.594
where: short stacking energy: -126.575
Base-Backbone interact. energy: 0.694
local terms energy: -158.964061
where:
bonds (distance) C4'-P energy: -33.104
bonds (distance) P-C4' energy: -39.196
flat angles C4'-P-C4' energy: -33.908
flat angles P-C4'-P energy: -20.936
tors. eta vs tors. theta energy: -31.821
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: 4
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -372.082434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.082434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.082434 (E_RNA)
where:
Base-Base interactions energy: -233.758
where: short stacking energy: -120.055
Base-Backbone interact. energy: -0.611
local terms energy: -137.713726
where:
bonds (distance) C4'-P energy: -28.180
bonds (distance) P-C4' energy: -32.505
flat angles C4'-P-C4' energy: -34.965
flat angles P-C4'-P energy: -14.933
tors. eta vs tors. theta energy: -27.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -333.145821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.145821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.145821 (E_RNA)
where:
Base-Base interactions energy: -218.867
where: short stacking energy: -95.640
Base-Backbone interact. energy: 0.416
local terms energy: -114.694718
where:
bonds (distance) C4'-P energy: -30.925
bonds (distance) P-C4' energy: -24.834
flat angles C4'-P-C4' energy: -33.108
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -14.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -223.103363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.103363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.103363 (E_RNA)
where:
Base-Base interactions energy: -113.976
where: short stacking energy: -61.284
Base-Backbone interact. energy: -0.510
local terms energy: -108.617706
where:
bonds (distance) C4'-P energy: -27.860
bonds (distance) P-C4' energy: -38.695
flat angles C4'-P-C4' energy: -24.733
flat angles P-C4'-P energy: -15.841
tors. eta vs tors. theta energy: -1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -612.044505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.044505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.044505 (E_RNA)
where:
Base-Base interactions energy: -414.061
where: short stacking energy: -190.212
Base-Backbone interact. energy: -0.313
local terms energy: -197.669680
where:
bonds (distance) C4'-P energy: -32.332
bonds (distance) P-C4' energy: -36.715
flat angles C4'-P-C4' energy: -40.519
flat angles P-C4'-P energy: -30.657
tors. eta vs tors. theta energy: -57.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -563.262297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.262297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.262297 (E_RNA)
where:
Base-Base interactions energy: -382.995
where: short stacking energy: -168.504
Base-Backbone interact. energy: -0.304
local terms energy: -179.963444
where:
bonds (distance) C4'-P energy: -36.080
bonds (distance) P-C4' energy: -35.108
flat angles C4'-P-C4' energy: -37.387
flat angles P-C4'-P energy: -31.560
tors. eta vs tors. theta energy: -39.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -563.026833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.026833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.026833 (E_RNA)
where:
Base-Base interactions energy: -404.096
where: short stacking energy: -154.608
Base-Backbone interact. energy: -1.567
local terms energy: -157.363978
where:
bonds (distance) C4'-P energy: -23.521
bonds (distance) P-C4' energy: -32.156
flat angles C4'-P-C4' energy: -34.384
flat angles P-C4'-P energy: -25.435
tors. eta vs tors. theta energy: -41.868
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: 1
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -541.448200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.448200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.448200 (E_RNA)
where:
Base-Base interactions energy: -376.625
where: short stacking energy: -160.022
Base-Backbone interact. energy: -0.731
local terms energy: -164.091621
where:
bonds (distance) C4'-P energy: -28.918
bonds (distance) P-C4' energy: -29.479
flat angles C4'-P-C4' energy: -40.819
flat angles P-C4'-P energy: -22.038
tors. eta vs tors. theta energy: -42.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -530.764713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.764713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.764713 (E_RNA)
where:
Base-Base interactions energy: -368.398
where: short stacking energy: -157.003
Base-Backbone interact. energy: -0.793
local terms energy: -161.573572
where:
bonds (distance) C4'-P energy: -30.804
bonds (distance) P-C4' energy: -35.768
flat angles C4'-P-C4' energy: -31.033
flat angles P-C4'-P energy: -23.467
tors. eta vs tors. theta energy: -40.502
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: 278
Temperature: 1.150000
Total energy: -437.857546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.857546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.857546 (E_RNA)
where:
Base-Base interactions energy: -301.384
where: short stacking energy: -142.090
Base-Backbone interact. energy: 1.610
local terms energy: -138.084203
where:
bonds (distance) C4'-P energy: -31.682
bonds (distance) P-C4' energy: -28.192
flat angles C4'-P-C4' energy: -32.666
flat angles P-C4'-P energy: -21.657
tors. eta vs tors. theta energy: -23.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -402.063938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.063938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.063938 (E_RNA)
where:
Base-Base interactions energy: -251.195
where: short stacking energy: -126.624
Base-Backbone interact. energy: -0.167
local terms energy: -150.702125
where:
bonds (distance) C4'-P energy: -32.920
bonds (distance) P-C4' energy: -30.656
flat angles C4'-P-C4' energy: -32.808
flat angles P-C4'-P energy: -20.242
tors. eta vs tors. theta energy: -34.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -367.442253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.442253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.442253 (E_RNA)
where:
Base-Base interactions energy: -224.496
where: short stacking energy: -115.216
Base-Backbone interact. energy: 0.538
local terms energy: -143.483639
where:
bonds (distance) C4'-P energy: -32.726
bonds (distance) P-C4' energy: -34.145
flat angles C4'-P-C4' energy: -28.806
flat angles P-C4'-P energy: -20.453
tors. eta vs tors. theta energy: -27.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -348.811441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.811441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.811441 (E_RNA)
where:
Base-Base interactions energy: -219.644
where: short stacking energy: -115.097
Base-Backbone interact. energy: 0.009
local terms energy: -129.176585
where:
bonds (distance) C4'-P energy: -29.571
bonds (distance) P-C4' energy: -30.194
flat angles C4'-P-C4' energy: -30.379
flat angles P-C4'-P energy: -16.248
tors. eta vs tors. theta energy: -22.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -236.197554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.197554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.197554 (E_RNA)
where:
Base-Base interactions energy: -116.400
where: short stacking energy: -69.720
Base-Backbone interact. energy: -0.291
local terms energy: -119.506631
where:
bonds (distance) C4'-P energy: -35.528
bonds (distance) P-C4' energy: -28.190
flat angles C4'-P-C4' energy: -33.787
flat angles P-C4'-P energy: -17.342
tors. eta vs tors. theta energy: -4.659
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: 9
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -622.709356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.709356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.709356 (E_RNA)
where:
Base-Base interactions energy: -423.133
where: short stacking energy: -194.501
Base-Backbone interact. energy: -0.128
local terms energy: -199.448096
where:
bonds (distance) C4'-P energy: -35.743
bonds (distance) P-C4' energy: -34.341
flat angles C4'-P-C4' energy: -39.803
flat angles P-C4'-P energy: -31.526
tors. eta vs tors. theta energy: -58.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -563.620653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.620653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.620653 (E_RNA)
where:
Base-Base interactions energy: -395.781
where: short stacking energy: -165.876
Base-Backbone interact. energy: -1.329
local terms energy: -166.510197
where:
bonds (distance) C4'-P energy: -34.872
bonds (distance) P-C4' energy: -32.511
flat angles C4'-P-C4' energy: -33.653
flat angles P-C4'-P energy: -25.234
tors. eta vs tors. theta energy: -40.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -568.453179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.453179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.453179 (E_RNA)
where:
Base-Base interactions energy: -410.881
where: short stacking energy: -157.534
Base-Backbone interact. energy: -0.814
local terms energy: -156.758994
where:
bonds (distance) C4'-P energy: -25.311
bonds (distance) P-C4' energy: -27.886
flat angles C4'-P-C4' energy: -33.622
flat angles P-C4'-P energy: -31.408
tors. eta vs tors. theta energy: -38.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -559.445634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.445634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.445634 (E_RNA)
where:
Base-Base interactions energy: -382.853
where: short stacking energy: -177.612
Base-Backbone interact. energy: -0.828
local terms energy: -175.764067
where:
bonds (distance) C4'-P energy: -32.412
bonds (distance) P-C4' energy: -34.433
flat angles C4'-P-C4' energy: -35.733
flat angles P-C4'-P energy: -24.253
tors. eta vs tors. theta energy: -48.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -534.896386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.896386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.896386 (E_RNA)
where:
Base-Base interactions energy: -365.767
where: short stacking energy: -147.256
Base-Backbone interact. energy: -0.068
local terms energy: -169.061642
where:
bonds (distance) C4'-P energy: -24.923
bonds (distance) P-C4' energy: -36.566
flat angles C4'-P-C4' energy: -39.557
flat angles P-C4'-P energy: -25.318
tors. eta vs tors. theta energy: -42.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -464.797250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.797250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.797250 (E_RNA)
where:
Base-Base interactions energy: -313.374
where: short stacking energy: -137.732
Base-Backbone interact. energy: -0.803
local terms energy: -150.620520
where:
bonds (distance) C4'-P energy: -28.167
bonds (distance) P-C4' energy: -34.291
flat angles C4'-P-C4' energy: -34.767
flat angles P-C4'-P energy: -22.148
tors. eta vs tors. theta energy: -31.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -359.820881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.820881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.820881 (E_RNA)
where:
Base-Base interactions energy: -232.941
where: short stacking energy: -118.180
Base-Backbone interact. energy: -0.689
local terms energy: -126.191254
where:
bonds (distance) C4'-P energy: -27.522
bonds (distance) P-C4' energy: -25.276
flat angles C4'-P-C4' energy: -32.632
flat angles P-C4'-P energy: -17.242
tors. eta vs tors. theta energy: -23.519
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: 6
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -356.461763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.461763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.461763 (E_RNA)
where:
Base-Base interactions energy: -220.243
where: short stacking energy: -93.058
Base-Backbone interact. energy: -0.767
local terms energy: -135.452336
where:
bonds (distance) C4'-P energy: -28.860
bonds (distance) P-C4' energy: -36.361
flat angles C4'-P-C4' energy: -31.477
flat angles P-C4'-P energy: -15.276
tors. eta vs tors. theta energy: -23.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -328.173481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.173481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.173481 (E_RNA)
where:
Base-Base interactions energy: -197.365
where: short stacking energy: -85.748
Base-Backbone interact. energy: -0.010
local terms energy: -130.798795
where:
bonds (distance) C4'-P energy: -37.474
bonds (distance) P-C4' energy: -34.592
flat angles C4'-P-C4' energy: -21.157
flat angles P-C4'-P energy: -18.160
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: 3
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -245.390182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.390182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.390182 (E_RNA)
where:
Base-Base interactions energy: -140.058
where: short stacking energy: -94.156
Base-Backbone interact. energy: -0.447
local terms energy: -104.885360
where:
bonds (distance) C4'-P energy: -26.222
bonds (distance) P-C4' energy: -28.404
flat angles C4'-P-C4' energy: -26.268
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -13.524
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: 9
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -617.685332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.685332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.685332 (E_RNA)
where:
Base-Base interactions energy: -424.513
where: short stacking energy: -189.972
Base-Backbone interact. energy: -0.162
local terms energy: -193.010596
where:
bonds (distance) C4'-P energy: -27.858
bonds (distance) P-C4' energy: -34.835
flat angles C4'-P-C4' energy: -41.691
flat angles P-C4'-P energy: -31.591
tors. eta vs tors. theta energy: -57.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -570.651570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.651570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.651570 (E_RNA)
where:
Base-Base interactions energy: -399.190
where: short stacking energy: -177.621
Base-Backbone interact. energy: 0.102
local terms energy: -171.563626
where:
bonds (distance) C4'-P energy: -33.968
bonds (distance) P-C4' energy: -34.729
flat angles C4'-P-C4' energy: -36.139
flat angles P-C4'-P energy: -26.704
tors. eta vs tors. theta energy: -40.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -551.764706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.764706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.764706 (E_RNA)
where:
Base-Base interactions energy: -379.429
where: short stacking energy: -167.171
Base-Backbone interact. energy: -0.266
local terms energy: -172.069310
where:
bonds (distance) C4'-P energy: -36.193
bonds (distance) P-C4' energy: -34.391
flat angles C4'-P-C4' energy: -35.754
flat angles P-C4'-P energy: -18.548
tors. eta vs tors. theta energy: -47.183
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: 8
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -546.531191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.531191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.531191 (E_RNA)
where:
Base-Base interactions energy: -381.744
where: short stacking energy: -159.045
Base-Backbone interact. energy: -0.077
local terms energy: -164.710730
where:
bonds (distance) C4'-P energy: -32.577
bonds (distance) P-C4' energy: -34.514
flat angles C4'-P-C4' energy: -35.726
flat angles P-C4'-P energy: -21.721
tors. eta vs tors. theta energy: -40.172
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: 1
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -554.247385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.247385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.247385 (E_RNA)
where:
Base-Base interactions energy: -378.011
where: short stacking energy: -150.737
Base-Backbone interact. energy: -0.315
local terms energy: -175.921814
where:
bonds (distance) C4'-P energy: -35.287
bonds (distance) P-C4' energy: -41.199
flat angles C4'-P-C4' energy: -37.741
flat angles P-C4'-P energy: -19.449
tors. eta vs tors. theta energy: -42.246
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: 5
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -462.091513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.091513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.091513 (E_RNA)
where:
Base-Base interactions energy: -322.003
where: short stacking energy: -136.287
Base-Backbone interact. energy: 3.051
local terms energy: -143.138845
where:
bonds (distance) C4'-P energy: -28.566
bonds (distance) P-C4' energy: -28.732
flat angles C4'-P-C4' energy: -30.397
flat angles P-C4'-P energy: -20.008
tors. eta vs tors. theta energy: -35.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -387.185816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.185816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.185816 (E_RNA)
where:
Base-Base interactions energy: -254.302
where: short stacking energy: -129.651
Base-Backbone interact. energy: 0.014
local terms energy: -132.897631
where:
bonds (distance) C4'-P energy: -23.850
bonds (distance) P-C4' energy: -25.470
flat angles C4'-P-C4' energy: -33.046
flat angles P-C4'-P energy: -22.393
tors. eta vs tors. theta energy: -28.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -353.896182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.896182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.896182 (E_RNA)
where:
Base-Base interactions energy: -219.690
where: short stacking energy: -112.840
Base-Backbone interact. energy: -0.316
local terms energy: -133.890566
where:
bonds (distance) C4'-P energy: -26.776
bonds (distance) P-C4' energy: -36.338
flat angles C4'-P-C4' energy: -25.793
flat angles P-C4'-P energy: -15.135
tors. eta vs tors. theta energy: -29.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -328.324706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.324706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.324706 (E_RNA)
where:
Base-Base interactions energy: -205.240
where: short stacking energy: -94.368
Base-Backbone interact. energy: 1.669
local terms energy: -124.753916
where:
bonds (distance) C4'-P energy: -30.379
bonds (distance) P-C4' energy: -24.513
flat angles C4'-P-C4' energy: -31.817
flat angles P-C4'-P energy: -19.822
tors. eta vs tors. theta energy: -18.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -244.896250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.896250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.896250 (E_RNA)
where:
Base-Base interactions energy: -130.924
where: short stacking energy: -70.649
Base-Backbone interact. energy: 0.034
local terms energy: -114.006409
where:
bonds (distance) C4'-P energy: -29.096
bonds (distance) P-C4' energy: -31.421
flat angles C4'-P-C4' energy: -26.774
flat angles P-C4'-P energy: -19.256
tors. eta vs tors. theta energy: -7.460
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: 9
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -611.458638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.458638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.458638 (E_RNA)
where:
Base-Base interactions energy: -419.641
where: short stacking energy: -188.910
Base-Backbone interact. energy: -0.086
local terms energy: -191.732461
where:
bonds (distance) C4'-P energy: -34.834
bonds (distance) P-C4' energy: -37.343
flat angles C4'-P-C4' energy: -40.244
flat angles P-C4'-P energy: -23.473
tors. eta vs tors. theta energy: -55.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -584.191689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.191689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.191689 (E_RNA)
where:
Base-Base interactions energy: -411.416
where: short stacking energy: -174.050
Base-Backbone interact. energy: -0.868
local terms energy: -171.908577
where:
bonds (distance) C4'-P energy: -28.553
bonds (distance) P-C4' energy: -33.678
flat angles C4'-P-C4' energy: -34.867
flat angles P-C4'-P energy: -30.098
tors. eta vs tors. theta energy: -44.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -564.984247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.984247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.984247 (E_RNA)
where:
Base-Base interactions energy: -397.106
where: short stacking energy: -177.847
Base-Backbone interact. energy: -0.257
local terms energy: -167.620686
where:
bonds (distance) C4'-P energy: -31.803
bonds (distance) P-C4' energy: -34.847
flat angles C4'-P-C4' energy: -34.831
flat angles P-C4'-P energy: -21.520
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: 4, replica: 1
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -535.895843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.895843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.895843 (E_RNA)
where:
Base-Base interactions energy: -365.719
where: short stacking energy: -160.923
Base-Backbone interact. energy: -2.296
local terms energy: -167.881720
where:
bonds (distance) C4'-P energy: -28.523
bonds (distance) P-C4' energy: -33.736
flat angles C4'-P-C4' energy: -38.655
flat angles P-C4'-P energy: -25.640
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: 8
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -529.461246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.461246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.461246 (E_RNA)
where:
Base-Base interactions energy: -370.238
where: short stacking energy: -146.172
Base-Backbone interact. energy: -1.511
local terms energy: -157.711820
where:
bonds (distance) C4'-P energy: -34.727
bonds (distance) P-C4' energy: -27.875
flat angles C4'-P-C4' energy: -34.248
flat angles P-C4'-P energy: -16.057
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: 6, replica: 5
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -463.062443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.062443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.062443 (E_RNA)
where:
Base-Base interactions energy: -312.881
where: short stacking energy: -143.192
Base-Backbone interact. energy: -0.307
local terms energy: -149.874474
where:
bonds (distance) C4'-P energy: -22.180
bonds (distance) P-C4' energy: -35.445
flat angles C4'-P-C4' energy: -32.861
flat angles P-C4'-P energy: -23.194
tors. eta vs tors. theta energy: -36.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -380.272785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.272785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.272785 (E_RNA)
where:
Base-Base interactions energy: -255.036
where: short stacking energy: -113.961
Base-Backbone interact. energy: -1.551
local terms energy: -123.686156
where:
bonds (distance) C4'-P energy: -23.898
bonds (distance) P-C4' energy: -23.052
flat angles C4'-P-C4' energy: -34.147
flat angles P-C4'-P energy: -17.452
tors. eta vs tors. theta energy: -25.138
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: 10
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -375.793716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.793716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.793716 (E_RNA)
where:
Base-Base interactions energy: -246.642
where: short stacking energy: -126.472
Base-Backbone interact. energy: -0.111
local terms energy: -129.041146
where:
bonds (distance) C4'-P energy: -29.161
bonds (distance) P-C4' energy: -26.899
flat angles C4'-P-C4' energy: -32.139
flat angles P-C4'-P energy: -18.677
tors. eta vs tors. theta energy: -22.165
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: 4
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -303.543577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.543577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.543577 (E_RNA)
where:
Base-Base interactions energy: -178.918
where: short stacking energy: -101.061
Base-Backbone interact. energy: 1.686
local terms energy: -126.311822
where:
bonds (distance) C4'-P energy: -27.362
bonds (distance) P-C4' energy: -37.036
flat angles C4'-P-C4' energy: -21.787
flat angles P-C4'-P energy: -16.980
tors. eta vs tors. theta energy: -23.147
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: 281
Temperature: 1.350000
Total energy: -227.011980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.011980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.011980 (E_RNA)
where:
Base-Base interactions energy: -122.409
where: short stacking energy: -77.667
Base-Backbone interact. energy: 2.730
local terms energy: -107.333246
where:
bonds (distance) C4'-P energy: -23.577
bonds (distance) P-C4' energy: -26.340
flat angles C4'-P-C4' energy: -25.832
flat angles P-C4'-P energy: -21.240
tors. eta vs tors. theta energy: -10.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -603.873695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.873695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.873695 (E_RNA)
where:
Base-Base interactions energy: -400.138
where: short stacking energy: -172.272
Base-Backbone interact. energy: -0.267
local terms energy: -203.468699
where:
bonds (distance) C4'-P energy: -36.316
bonds (distance) P-C4' energy: -39.179
flat angles C4'-P-C4' energy: -41.647
flat angles P-C4'-P energy: -32.134
tors. eta vs tors. theta energy: -54.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -589.417132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.417132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.417132 (E_RNA)
where:
Base-Base interactions energy: -415.389
where: short stacking energy: -165.394
Base-Backbone interact. energy: -0.418
local terms energy: -173.609753
where:
bonds (distance) C4'-P energy: -31.064
bonds (distance) P-C4' energy: -35.750
flat angles C4'-P-C4' energy: -36.717
flat angles P-C4'-P energy: -24.987
tors. eta vs tors. theta energy: -45.091
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: 3, replica: 7
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -558.658148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.658148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.658148 (E_RNA)
where:
Base-Base interactions energy: -384.910
where: short stacking energy: -159.834
Base-Backbone interact. energy: -0.603
local terms energy: -173.145078
where:
bonds (distance) C4'-P energy: -35.554
bonds (distance) P-C4' energy: -33.331
flat angles C4'-P-C4' energy: -39.586
flat angles P-C4'-P energy: -19.567
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: 4, replica: 1
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -526.353330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.353330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.353330 (E_RNA)
where:
Base-Base interactions energy: -360.192
where: short stacking energy: -146.800
Base-Backbone interact. energy: -0.719
local terms energy: -165.442271
where:
bonds (distance) C4'-P energy: -32.141
bonds (distance) P-C4' energy: -24.889
flat angles C4'-P-C4' energy: -36.161
flat angles P-C4'-P energy: -29.499
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: 5, replica: 8
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -475.949263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.949263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.949263 (E_RNA)
where:
Base-Base interactions energy: -323.416
where: short stacking energy: -121.407
Base-Backbone interact. energy: -1.561
local terms energy: -150.972732
where:
bonds (distance) C4'-P energy: -34.332
bonds (distance) P-C4' energy: -33.043
flat angles C4'-P-C4' energy: -38.531
flat angles P-C4'-P energy: -18.218
tors. eta vs tors. theta energy: -26.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -476.880942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.880942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.880942 (E_RNA)
where:
Base-Base interactions energy: -322.429
where: short stacking energy: -143.424
Base-Backbone interact. energy: -0.020
local terms energy: -154.432856
where:
bonds (distance) C4'-P energy: -30.476
bonds (distance) P-C4' energy: -31.745
flat angles C4'-P-C4' energy: -26.947
flat angles P-C4'-P energy: -23.338
tors. eta vs tors. theta energy: -41.927
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: 282
Temperature: 1.200000
Total energy: -381.380175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.380175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.380175 (E_RNA)
where:
Base-Base interactions energy: -227.857
where: short stacking energy: -105.027
Base-Backbone interact. energy: -0.450
local terms energy: -153.072829
where:
bonds (distance) C4'-P energy: -31.441
bonds (distance) P-C4' energy: -32.054
flat angles C4'-P-C4' energy: -34.948
flat angles P-C4'-P energy: -24.862
tors. eta vs tors. theta energy: -29.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -329.643802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.643802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.643802 (E_RNA)
where:
Base-Base interactions energy: -215.562
where: short stacking energy: -96.487
Base-Backbone interact. energy: 0.153
local terms energy: -114.235156
where:
bonds (distance) C4'-P energy: -30.791
bonds (distance) P-C4' energy: -32.724
flat angles C4'-P-C4' energy: -23.151
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -15.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -229.163241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.163241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.163241 (E_RNA)
where:
Base-Base interactions energy: -116.857
where: short stacking energy: -64.890
Base-Backbone interact. energy: 0.430
local terms energy: -112.736414
where:
bonds (distance) C4'-P energy: -30.596
bonds (distance) P-C4' energy: -33.330
flat angles C4'-P-C4' energy: -22.461
flat angles P-C4'-P energy: -19.114
tors. eta vs tors. theta energy: -7.236
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: 10, replica: 4
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -280.591856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.591856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.591856 (E_RNA)
where:
Base-Base interactions energy: -158.281
where: short stacking energy: -74.294
Base-Backbone interact. energy: -0.554
local terms energy: -121.756610
where:
bonds (distance) C4'-P energy: -28.482
bonds (distance) P-C4' energy: -35.018
flat angles C4'-P-C4' energy: -28.585
flat angles P-C4'-P energy: -20.422
tors. eta vs tors. theta energy: -9.249
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: 9
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -611.364269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.364269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.364269 (E_RNA)
where:
Base-Base interactions energy: -418.074
where: short stacking energy: -192.322
Base-Backbone interact. energy: -0.008
local terms energy: -193.282338
where:
bonds (distance) C4'-P energy: -39.143
bonds (distance) P-C4' energy: -35.824
flat angles C4'-P-C4' energy: -37.102
flat angles P-C4'-P energy: -27.716
tors. eta vs tors. theta energy: -53.497
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: 283
Temperature: 0.950000
Total energy: -587.009108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.009108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.009108 (E_RNA)
where:
Base-Base interactions energy: -394.241
where: short stacking energy: -170.634
Base-Backbone interact. energy: -2.439
local terms energy: -190.329193
where:
bonds (distance) C4'-P energy: -34.733
bonds (distance) P-C4' energy: -37.900
flat angles C4'-P-C4' energy: -39.844
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -50.976
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: 7
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -543.317718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.317718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.317718 (E_RNA)
where:
Base-Base interactions energy: -374.249
where: short stacking energy: -163.517
Base-Backbone interact. energy: -0.785
local terms energy: -168.283972
where:
bonds (distance) C4'-P energy: -39.731
bonds (distance) P-C4' energy: -28.504
flat angles C4'-P-C4' energy: -32.194
flat angles P-C4'-P energy: -21.299
tors. eta vs tors. theta energy: -46.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -525.962718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.962718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.962718 (E_RNA)
where:
Base-Base interactions energy: -364.062
where: short stacking energy: -159.836
Base-Backbone interact. energy: -0.171
local terms energy: -161.729779
where:
bonds (distance) C4'-P energy: -36.378
bonds (distance) P-C4' energy: -33.396
flat angles C4'-P-C4' energy: -29.075
flat angles P-C4'-P energy: -22.588
tors. eta vs tors. theta energy: -40.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -502.879941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.879941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.879941 (E_RNA)
where:
Base-Base interactions energy: -345.684
where: short stacking energy: -148.954
Base-Backbone interact. energy: -0.186
local terms energy: -157.009777
where:
bonds (distance) C4'-P energy: -32.154
bonds (distance) P-C4' energy: -26.507
flat angles C4'-P-C4' energy: -39.460
flat angles P-C4'-P energy: -23.822
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: 6, replica: 5
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -451.073735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.073735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.073735 (E_RNA)
where:
Base-Base interactions energy: -301.313
where: short stacking energy: -135.401
Base-Backbone interact. energy: -0.511
local terms energy: -149.249811
where:
bonds (distance) C4'-P energy: -33.479
bonds (distance) P-C4' energy: -32.568
flat angles C4'-P-C4' energy: -31.082
flat angles P-C4'-P energy: -16.718
tors. eta vs tors. theta energy: -35.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -412.827012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.827012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.827012 (E_RNA)
where:
Base-Base interactions energy: -266.817
where: short stacking energy: -127.621
Base-Backbone interact. energy: 1.109
local terms energy: -147.118996
where:
bonds (distance) C4'-P energy: -30.898
bonds (distance) P-C4' energy: -27.822
flat angles C4'-P-C4' energy: -34.332
flat angles P-C4'-P energy: -23.451
tors. eta vs tors. theta energy: -30.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -351.559182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.559182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.559182 (E_RNA)
where:
Base-Base interactions energy: -216.979
where: short stacking energy: -94.270
Base-Backbone interact. energy: -1.447
local terms energy: -133.132375
where:
bonds (distance) C4'-P energy: -33.359
bonds (distance) P-C4' energy: -35.130
flat angles C4'-P-C4' energy: -31.776
flat angles P-C4'-P energy: -17.814
tors. eta vs tors. theta energy: -15.053
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: 9, replica: 3
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -243.676366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.676366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.676366 (E_RNA)
where:
Base-Base interactions energy: -131.760
where: short stacking energy: -69.870
Base-Backbone interact. energy: -1.435
local terms energy: -110.481495
where:
bonds (distance) C4'-P energy: -36.286
bonds (distance) P-C4' energy: -27.993
flat angles C4'-P-C4' energy: -28.859
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -8.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -311.234039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.234039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.234039 (E_RNA)
where:
Base-Base interactions energy: -199.963
where: short stacking energy: -90.302
Base-Backbone interact. energy: -0.467
local terms energy: -110.803668
where:
bonds (distance) C4'-P energy: -22.433
bonds (distance) P-C4' energy: -27.415
flat angles C4'-P-C4' energy: -34.709
flat angles P-C4'-P energy: -15.495
tors. eta vs tors. theta energy: -10.752
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: 9
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -622.344414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.344414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.344414 (E_RNA)
where:
Base-Base interactions energy: -436.027
where: short stacking energy: -193.455
Base-Backbone interact. energy: -0.258
local terms energy: -186.059111
where:
bonds (distance) C4'-P energy: -29.733
bonds (distance) P-C4' energy: -31.837
flat angles C4'-P-C4' energy: -40.125
flat angles P-C4'-P energy: -27.776
tors. eta vs tors. theta energy: -56.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -590.904952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.904952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.904952 (E_RNA)
where:
Base-Base interactions energy: -420.358
where: short stacking energy: -173.817
Base-Backbone interact. energy: 1.821
local terms energy: -172.367601
where:
bonds (distance) C4'-P energy: -27.874
bonds (distance) P-C4' energy: -36.152
flat angles C4'-P-C4' energy: -40.329
flat angles P-C4'-P energy: -19.583
tors. eta vs tors. theta energy: -48.430
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: 7
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -551.909464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.909464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.909464 (E_RNA)
where:
Base-Base interactions energy: -367.179
where: short stacking energy: -163.454
Base-Backbone interact. energy: -0.066
local terms energy: -184.664707
where:
bonds (distance) C4'-P energy: -31.393
bonds (distance) P-C4' energy: -38.191
flat angles C4'-P-C4' energy: -39.165
flat angles P-C4'-P energy: -28.031
tors. eta vs tors. theta energy: -47.884
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: 1
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -519.267534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.267534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.267534 (E_RNA)
where:
Base-Base interactions energy: -359.036
where: short stacking energy: -158.185
Base-Backbone interact. energy: -1.562
local terms energy: -158.669566
where:
bonds (distance) C4'-P energy: -30.546
bonds (distance) P-C4' energy: -34.900
flat angles C4'-P-C4' energy: -36.864
flat angles P-C4'-P energy: -22.151
tors. eta vs tors. theta energy: -34.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -520.565788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.565788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.565788 (E_RNA)
where:
Base-Base interactions energy: -369.398
where: short stacking energy: -143.496
Base-Backbone interact. energy: 0.879
local terms energy: -152.046394
where:
bonds (distance) C4'-P energy: -36.434
bonds (distance) P-C4' energy: -21.347
flat angles C4'-P-C4' energy: -35.008
flat angles P-C4'-P energy: -21.053
tors. eta vs tors. theta energy: -38.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -502.125205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.125205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.125205 (E_RNA)
where:
Base-Base interactions energy: -349.928
where: short stacking energy: -153.847
Base-Backbone interact. energy: 5.774
local terms energy: -157.971141
where:
bonds (distance) C4'-P energy: -30.084
bonds (distance) P-C4' energy: -31.080
flat angles C4'-P-C4' energy: -28.724
flat angles P-C4'-P energy: -23.203
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: 7, replica: 10
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -384.648551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.648551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.648551 (E_RNA)
where:
Base-Base interactions energy: -253.509
where: short stacking energy: -116.107
Base-Backbone interact. energy: -0.636
local terms energy: -130.503792
where:
bonds (distance) C4'-P energy: -28.592
bonds (distance) P-C4' energy: -32.774
flat angles C4'-P-C4' energy: -34.949
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -24.018
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: 6
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -342.477758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.477758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.477758 (E_RNA)
where:
Base-Base interactions energy: -217.816
where: short stacking energy: -101.755
Base-Backbone interact. energy: -0.435
local terms energy: -124.226763
where:
bonds (distance) C4'-P energy: -25.774
bonds (distance) P-C4' energy: -29.726
flat angles C4'-P-C4' energy: -28.430
flat angles P-C4'-P energy: -17.210
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: 9, replica: 4
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -318.428236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.428236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.428236 (E_RNA)
where:
Base-Base interactions energy: -204.380
where: short stacking energy: -89.720
Base-Backbone interact. energy: 1.193
local terms energy: -115.242096
where:
bonds (distance) C4'-P energy: -34.637
bonds (distance) P-C4' energy: -29.662
flat angles C4'-P-C4' energy: -27.259
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -10.464
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: 3
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -223.896451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.896451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.896451 (E_RNA)
where:
Base-Base interactions energy: -125.582
where: short stacking energy: -57.108
Base-Backbone interact. energy: 0.882
local terms energy: -99.197169
where:
bonds (distance) C4'-P energy: -32.383
bonds (distance) P-C4' energy: -29.669
flat angles C4'-P-C4' energy: -17.433
flat angles P-C4'-P energy: -20.984
tors. eta vs tors. theta energy: 1.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -613.382502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.382502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.382502 (E_RNA)
where:
Base-Base interactions energy: -419.829
where: short stacking energy: -195.053
Base-Backbone interact. energy: -0.005
local terms energy: -193.548654
where:
bonds (distance) C4'-P energy: -37.018
bonds (distance) P-C4' energy: -35.752
flat angles C4'-P-C4' energy: -37.229
flat angles P-C4'-P energy: -31.644
tors. eta vs tors. theta energy: -51.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -567.743497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.743497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.743497 (E_RNA)
where:
Base-Base interactions energy: -389.455
where: short stacking energy: -169.248
Base-Backbone interact. energy: 0.736
local terms energy: -179.024770
where:
bonds (distance) C4'-P energy: -36.057
bonds (distance) P-C4' energy: -33.688
flat angles C4'-P-C4' energy: -34.510
flat angles P-C4'-P energy: -28.556
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: 2
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -575.366091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.366091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.366091 (E_RNA)
where:
Base-Base interactions energy: -411.770
where: short stacking energy: -163.659
Base-Backbone interact. energy: -1.371
local terms energy: -162.224475
where:
bonds (distance) C4'-P energy: -34.039
bonds (distance) P-C4' energy: -21.970
flat angles C4'-P-C4' energy: -37.006
flat angles P-C4'-P energy: -25.869
tors. eta vs tors. theta energy: -43.340
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: 4, replica: 8
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -527.383854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.383854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.383854 (E_RNA)
where:
Base-Base interactions energy: -366.393
where: short stacking energy: -142.767
Base-Backbone interact. energy: -0.206
local terms energy: -160.784837
where:
bonds (distance) C4'-P energy: -28.429
bonds (distance) P-C4' energy: -36.320
flat angles C4'-P-C4' energy: -29.153
flat angles P-C4'-P energy: -28.897
tors. eta vs tors. theta energy: -37.986
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: 1
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -517.241837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.241837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.241837 (E_RNA)
where:
Base-Base interactions energy: -357.773
where: short stacking energy: -153.478
Base-Backbone interact. energy: -1.335
local terms energy: -158.133981
where:
bonds (distance) C4'-P energy: -26.260
bonds (distance) P-C4' energy: -36.250
flat angles C4'-P-C4' energy: -29.628
flat angles P-C4'-P energy: -25.156
tors. eta vs tors. theta energy: -40.840
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: 6, replica: 5
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -513.403712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.403712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.403712 (E_RNA)
where:
Base-Base interactions energy: -345.024
where: short stacking energy: -149.876
Base-Backbone interact. energy: -0.473
local terms energy: -167.906349
where:
bonds (distance) C4'-P energy: -34.087
bonds (distance) P-C4' energy: -28.617
flat angles C4'-P-C4' energy: -35.834
flat angles P-C4'-P energy: -24.828
tors. eta vs tors. theta energy: -44.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -389.416638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.416638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.416638 (E_RNA)
where:
Base-Base interactions energy: -241.640
where: short stacking energy: -112.918
Base-Backbone interact. energy: -0.035
local terms energy: -147.741614
where:
bonds (distance) C4'-P energy: -31.962
bonds (distance) P-C4' energy: -35.053
flat angles C4'-P-C4' energy: -27.408
flat angles P-C4'-P energy: -19.334
tors. eta vs tors. theta energy: -33.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -384.262702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.262702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.262702 (E_RNA)
where:
Base-Base interactions energy: -245.516
where: short stacking energy: -116.066
Base-Backbone interact. energy: -0.211
local terms energy: -138.535514
where:
bonds (distance) C4'-P energy: -29.716
bonds (distance) P-C4' energy: -33.333
flat angles C4'-P-C4' energy: -33.949
flat angles P-C4'-P energy: -19.554
tors. eta vs tors. theta energy: -21.983
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: 9, replica: 6
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -354.378992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.378992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.378992 (E_RNA)
where:
Base-Base interactions energy: -230.104
where: short stacking energy: -96.637
Base-Backbone interact. energy: 0.152
local terms energy: -124.426498
where:
bonds (distance) C4'-P energy: -26.905
bonds (distance) P-C4' energy: -27.305
flat angles C4'-P-C4' energy: -30.820
flat angles P-C4'-P energy: -20.279
tors. eta vs tors. theta energy: -19.117
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: 3
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -231.996399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.996399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.996399 (E_RNA)
where:
Base-Base interactions energy: -119.387
where: short stacking energy: -71.313
Base-Backbone interact. energy: -1.256
local terms energy: -111.353344
where:
bonds (distance) C4'-P energy: -22.230
bonds (distance) P-C4' energy: -29.483
flat angles C4'-P-C4' energy: -36.098
flat angles P-C4'-P energy: -14.704
tors. eta vs tors. theta energy: -8.838
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: 9
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -612.792615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.792615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.792615 (E_RNA)
where:
Base-Base interactions energy: -420.619
where: short stacking energy: -193.269
Base-Backbone interact. energy: -0.738
local terms energy: -191.435455
where:
bonds (distance) C4'-P energy: -33.934
bonds (distance) P-C4' energy: -28.470
flat angles C4'-P-C4' energy: -44.473
flat angles P-C4'-P energy: -30.256
tors. eta vs tors. theta energy: -54.302
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: 2, replica: 7
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -567.361986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.361986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.361986 (E_RNA)
where:
Base-Base interactions energy: -392.268
where: short stacking energy: -170.294
Base-Backbone interact. energy: -0.582
local terms energy: -174.512120
where:
bonds (distance) C4'-P energy: -31.096
bonds (distance) P-C4' energy: -35.165
flat angles C4'-P-C4' energy: -37.063
flat angles P-C4'-P energy: -23.423
tors. eta vs tors. theta energy: -47.766
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: 2
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -592.215309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.215309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.215309 (E_RNA)
where:
Base-Base interactions energy: -419.434
where: short stacking energy: -156.224
Base-Backbone interact. energy: -0.942
local terms energy: -171.838360
where:
bonds (distance) C4'-P energy: -30.628
bonds (distance) P-C4' energy: -31.210
flat angles C4'-P-C4' energy: -37.328
flat angles P-C4'-P energy: -29.683
tors. eta vs tors. theta energy: -42.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -560.128862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.128862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.128862 (E_RNA)
where:
Base-Base interactions energy: -399.691
where: short stacking energy: -153.293
Base-Backbone interact. energy: -0.716
local terms energy: -159.721822
where:
bonds (distance) C4'-P energy: -26.345
bonds (distance) P-C4' energy: -34.542
flat angles C4'-P-C4' energy: -36.333
flat angles P-C4'-P energy: -24.319
tors. eta vs tors. theta energy: -38.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -527.027788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.027788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.027788 (E_RNA)
where:
Base-Base interactions energy: -375.990
where: short stacking energy: -172.138
Base-Backbone interact. energy: -0.434
local terms energy: -150.603970
where:
bonds (distance) C4'-P energy: -20.412
bonds (distance) P-C4' energy: -32.218
flat angles C4'-P-C4' energy: -33.211
flat angles P-C4'-P energy: -21.002
tors. eta vs tors. theta energy: -43.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -508.479832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.479832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.479832 (E_RNA)
where:
Base-Base interactions energy: -347.698
where: short stacking energy: -135.311
Base-Backbone interact. energy: -0.315
local terms energy: -160.465855
where:
bonds (distance) C4'-P energy: -28.663
bonds (distance) P-C4' energy: -37.699
flat angles C4'-P-C4' energy: -34.470
flat angles P-C4'-P energy: -21.615
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: 10
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -367.719283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.719283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.719283 (E_RNA)
where:
Base-Base interactions energy: -233.642
where: short stacking energy: -127.055
Base-Backbone interact. energy: -0.350
local terms energy: -133.728137
where:
bonds (distance) C4'-P energy: -25.154
bonds (distance) P-C4' energy: -26.524
flat angles C4'-P-C4' energy: -35.686
flat angles P-C4'-P energy: -21.051
tors. eta vs tors. theta energy: -25.313
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: 8, replica: 4
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -383.874760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.874760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.874760 (E_RNA)
where:
Base-Base interactions energy: -252.080
where: short stacking energy: -112.891
Base-Backbone interact. energy: 0.006
local terms energy: -131.800540
where:
bonds (distance) C4'-P energy: -31.189
bonds (distance) P-C4' energy: -31.440
flat angles C4'-P-C4' energy: -20.006
flat angles P-C4'-P energy: -19.707
tors. eta vs tors. theta energy: -29.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -313.191110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.191110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.191110 (E_RNA)
where:
Base-Base interactions energy: -194.068
where: short stacking energy: -81.980
Base-Backbone interact. energy: 1.978
local terms energy: -121.101453
where:
bonds (distance) C4'-P energy: -28.084
bonds (distance) P-C4' energy: -37.483
flat angles C4'-P-C4' energy: -28.835
flat angles P-C4'-P energy: -18.431
tors. eta vs tors. theta energy: -8.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -212.435550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.435550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.435550 (E_RNA)
where:
Base-Base interactions energy: -99.772
where: short stacking energy: -54.949
Base-Backbone interact. energy: -0.511
local terms energy: -112.153409
where:
bonds (distance) C4'-P energy: -30.937
bonds (distance) P-C4' energy: -33.493
flat angles C4'-P-C4' energy: -24.216
flat angles P-C4'-P energy: -15.170
tors. eta vs tors. theta energy: -8.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -612.069898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.069898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.069898 (E_RNA)
where:
Base-Base interactions energy: -423.613
where: short stacking energy: -195.655
Base-Backbone interact. energy: 0.482
local terms energy: -188.939004
where:
bonds (distance) C4'-P energy: -30.590
bonds (distance) P-C4' energy: -34.902
flat angles C4'-P-C4' energy: -39.903
flat angles P-C4'-P energy: -29.038
tors. eta vs tors. theta energy: -54.506
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: 287
Temperature: 0.950000
Total energy: -602.034726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.034726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.034726 (E_RNA)
where:
Base-Base interactions energy: -429.499
where: short stacking energy: -173.512
Base-Backbone interact. energy: -0.037
local terms energy: -172.498797
where:
bonds (distance) C4'-P energy: -31.192
bonds (distance) P-C4' energy: -40.900
flat angles C4'-P-C4' energy: -34.197
flat angles P-C4'-P energy: -23.889
tors. eta vs tors. theta energy: -42.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -565.210215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.210215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.210215 (E_RNA)
where:
Base-Base interactions energy: -392.415
where: short stacking energy: -163.925
Base-Backbone interact. energy: -0.151
local terms energy: -172.643703
where:
bonds (distance) C4'-P energy: -35.894
bonds (distance) P-C4' energy: -30.988
flat angles C4'-P-C4' energy: -36.291
flat angles P-C4'-P energy: -19.840
tors. eta vs tors. theta energy: -49.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -561.068459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.068459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.068459 (E_RNA)
where:
Base-Base interactions energy: -392.992
where: short stacking energy: -163.066
Base-Backbone interact. energy: -2.536
local terms energy: -165.540761
where:
bonds (distance) C4'-P energy: -26.255
bonds (distance) P-C4' energy: -35.905
flat angles C4'-P-C4' energy: -31.748
flat angles P-C4'-P energy: -28.315
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: 5, replica: 5
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -504.754872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.754872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.754872 (E_RNA)
where:
Base-Base interactions energy: -332.751
where: short stacking energy: -151.834
Base-Backbone interact. energy: -0.534
local terms energy: -171.469568
where:
bonds (distance) C4'-P energy: -38.029
bonds (distance) P-C4' energy: -27.416
flat angles C4'-P-C4' energy: -37.564
flat angles P-C4'-P energy: -26.789
tors. eta vs tors. theta energy: -41.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -516.766070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.766070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.766070 (E_RNA)
where:
Base-Base interactions energy: -366.561
where: short stacking energy: -150.573
Base-Backbone interact. energy: -0.174
local terms energy: -150.030723
where:
bonds (distance) C4'-P energy: -29.322
bonds (distance) P-C4' energy: -25.715
flat angles C4'-P-C4' energy: -33.614
flat angles P-C4'-P energy: -20.239
tors. eta vs tors. theta energy: -41.140
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: 7, replica: 10
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -363.901410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.901410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.901410 (E_RNA)
where:
Base-Base interactions energy: -221.352
where: short stacking energy: -109.722
Base-Backbone interact. energy: -0.898
local terms energy: -141.651286
where:
bonds (distance) C4'-P energy: -30.515
bonds (distance) P-C4' energy: -32.343
flat angles C4'-P-C4' energy: -28.924
flat angles P-C4'-P energy: -27.356
tors. eta vs tors. theta energy: -22.513
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: 8, replica: 4
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -401.406530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.406530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.406530 (E_RNA)
where:
Base-Base interactions energy: -257.035
where: short stacking energy: -109.734
Base-Backbone interact. energy: -1.911
local terms energy: -142.460745
where:
bonds (distance) C4'-P energy: -30.768
bonds (distance) P-C4' energy: -29.974
flat angles C4'-P-C4' energy: -34.641
flat angles P-C4'-P energy: -14.700
tors. eta vs tors. theta energy: -32.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -355.989915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.989915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.989915 (E_RNA)
where:
Base-Base interactions energy: -223.333
where: short stacking energy: -100.226
Base-Backbone interact. energy: -0.917
local terms energy: -131.740282
where:
bonds (distance) C4'-P energy: -34.259
bonds (distance) P-C4' energy: -32.224
flat angles C4'-P-C4' energy: -33.031
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -20.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -232.279029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.279029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.279029 (E_RNA)
where:
Base-Base interactions energy: -120.417
where: short stacking energy: -57.627
Base-Backbone interact. energy: 0.684
local terms energy: -112.546459
where:
bonds (distance) C4'-P energy: -25.826
bonds (distance) P-C4' energy: -32.666
flat angles C4'-P-C4' energy: -28.280
flat angles P-C4'-P energy: -14.182
tors. eta vs tors. theta energy: -11.593
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: 9
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -612.642529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.642529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.642529 (E_RNA)
where:
Base-Base interactions energy: -422.155
where: short stacking energy: -193.449
Base-Backbone interact. energy: 0.169
local terms energy: -190.656578
where:
bonds (distance) C4'-P energy: -31.465
bonds (distance) P-C4' energy: -33.339
flat angles C4'-P-C4' energy: -42.973
flat angles P-C4'-P energy: -28.111
tors. eta vs tors. theta energy: -54.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -589.083137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.083137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.083137 (E_RNA)
where:
Base-Base interactions energy: -400.364
where: short stacking energy: -173.335
Base-Backbone interact. energy: -0.292
local terms energy: -188.427102
where:
bonds (distance) C4'-P energy: -33.347
bonds (distance) P-C4' energy: -39.461
flat angles C4'-P-C4' energy: -38.688
flat angles P-C4'-P energy: -25.661
tors. eta vs tors. theta energy: -51.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -570.539075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.539075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.539075 (E_RNA)
where:
Base-Base interactions energy: -382.848
where: short stacking energy: -148.697
Base-Backbone interact. energy: -1.819
local terms energy: -185.871969
where:
bonds (distance) C4'-P energy: -31.072
bonds (distance) P-C4' energy: -39.220
flat angles C4'-P-C4' energy: -36.028
flat angles P-C4'-P energy: -31.333
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: 288
Temperature: 1.050000
Total energy: -553.859713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.859713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.859713 (E_RNA)
where:
Base-Base interactions energy: -392.096
where: short stacking energy: -163.547
Base-Backbone interact. energy: 0.362
local terms energy: -162.125909
where:
bonds (distance) C4'-P energy: -22.692
bonds (distance) P-C4' energy: -32.252
flat angles C4'-P-C4' energy: -36.147
flat angles P-C4'-P energy: -21.792
tors. eta vs tors. theta energy: -49.243
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: 1
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -519.511146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.511146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.511146 (E_RNA)
where:
Base-Base interactions energy: -368.458
where: short stacking energy: -161.897
Base-Backbone interact. energy: -0.587
local terms energy: -150.466065
where:
bonds (distance) C4'-P energy: -24.632
bonds (distance) P-C4' energy: -31.788
flat angles C4'-P-C4' energy: -32.156
flat angles P-C4'-P energy: -23.200
tors. eta vs tors. theta energy: -38.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -488.717946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.717946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.717946 (E_RNA)
where:
Base-Base interactions energy: -344.319
where: short stacking energy: -151.883
Base-Backbone interact. energy: 2.512
local terms energy: -146.910969
where:
bonds (distance) C4'-P energy: -30.827
bonds (distance) P-C4' energy: -18.531
flat angles C4'-P-C4' energy: -34.873
flat angles P-C4'-P energy: -25.639
tors. eta vs tors. theta energy: -37.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -396.976680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.976680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.976680 (E_RNA)
where:
Base-Base interactions energy: -258.502
where: short stacking energy: -114.849
Base-Backbone interact. energy: -1.651
local terms energy: -136.823836
where:
bonds (distance) C4'-P energy: -33.678
bonds (distance) P-C4' energy: -24.995
flat angles C4'-P-C4' energy: -27.842
flat angles P-C4'-P energy: -21.518
tors. eta vs tors. theta energy: -28.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -367.078074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.078074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.078074 (E_RNA)
where:
Base-Base interactions energy: -229.063
where: short stacking energy: -109.011
Base-Backbone interact. energy: -0.173
local terms energy: -137.841644
where:
bonds (distance) C4'-P energy: -27.567
bonds (distance) P-C4' energy: -34.877
flat angles C4'-P-C4' energy: -33.226
flat angles P-C4'-P energy: -20.696
tors. eta vs tors. theta energy: -21.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -341.978490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.978490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.978490 (E_RNA)
where:
Base-Base interactions energy: -219.594
where: short stacking energy: -93.730
Base-Backbone interact. energy: 0.137
local terms energy: -122.521919
where:
bonds (distance) C4'-P energy: -26.245
bonds (distance) P-C4' energy: -35.253
flat angles C4'-P-C4' energy: -30.552
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -17.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -224.799871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.799871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.799871 (E_RNA)
where:
Base-Base interactions energy: -120.109
where: short stacking energy: -63.842
Base-Backbone interact. energy: 0.523
local terms energy: -105.214144
where:
bonds (distance) C4'-P energy: -33.064
bonds (distance) P-C4' energy: -28.558
flat angles C4'-P-C4' energy: -24.694
flat angles P-C4'-P energy: -21.479
tors. eta vs tors. theta energy: 2.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -609.197967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.197967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.197967 (E_RNA)
where:
Base-Base interactions energy: -420.703
where: short stacking energy: -191.113
Base-Backbone interact. energy: 0.322
local terms energy: -188.816651
where:
bonds (distance) C4'-P energy: -33.587
bonds (distance) P-C4' energy: -34.715
flat angles C4'-P-C4' energy: -37.070
flat angles P-C4'-P energy: -26.521
tors. eta vs tors. theta energy: -56.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -589.602782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.602782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.602782 (E_RNA)
where:
Base-Base interactions energy: -407.987
where: short stacking energy: -181.426
Base-Backbone interact. energy: -1.781
local terms energy: -179.834814
where:
bonds (distance) C4'-P energy: -36.805
bonds (distance) P-C4' energy: -31.871
flat angles C4'-P-C4' energy: -36.095
flat angles P-C4'-P energy: -27.290
tors. eta vs tors. theta energy: -47.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -552.965774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.965774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.965774 (E_RNA)
where:
Base-Base interactions energy: -386.155
where: short stacking energy: -147.560
Base-Backbone interact. energy: -3.334
local terms energy: -163.476104
where:
bonds (distance) C4'-P energy: -27.550
bonds (distance) P-C4' energy: -34.476
flat angles C4'-P-C4' energy: -37.142
flat angles P-C4'-P energy: -25.611
tors. eta vs tors. theta energy: -38.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -530.753890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.753890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.753890 (E_RNA)
where:
Base-Base interactions energy: -382.940
where: short stacking energy: -153.734
Base-Backbone interact. energy: -2.039
local terms energy: -145.774571
where:
bonds (distance) C4'-P energy: -35.726
bonds (distance) P-C4' energy: -28.654
flat angles C4'-P-C4' energy: -33.058
flat angles P-C4'-P energy: -19.769
tors. eta vs tors. theta energy: -28.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -557.684881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.684881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.684881 (E_RNA)
where:
Base-Base interactions energy: -374.846
where: short stacking energy: -165.356
Base-Backbone interact. energy: -0.116
local terms energy: -182.723519
where:
bonds (distance) C4'-P energy: -35.936
bonds (distance) P-C4' energy: -36.670
flat angles C4'-P-C4' energy: -39.846
flat angles P-C4'-P energy: -20.521
tors. eta vs tors. theta energy: -49.751
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: 6, replica: 5
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -469.674278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.674278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.674278 (E_RNA)
where:
Base-Base interactions energy: -322.293
where: short stacking energy: -136.815
Base-Backbone interact. energy: -0.992
local terms energy: -146.389140
where:
bonds (distance) C4'-P energy: -28.480
bonds (distance) P-C4' energy: -29.163
flat angles C4'-P-C4' energy: -30.424
flat angles P-C4'-P energy: -24.933
tors. eta vs tors. theta energy: -33.390
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: 10
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -389.214699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.214699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.214699 (E_RNA)
where:
Base-Base interactions energy: -229.183
where: short stacking energy: -117.714
Base-Backbone interact. energy: -1.630
local terms energy: -158.401668
where:
bonds (distance) C4'-P energy: -35.343
bonds (distance) P-C4' energy: -36.766
flat angles C4'-P-C4' energy: -34.077
flat angles P-C4'-P energy: -29.013
tors. eta vs tors. theta energy: -23.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -391.242701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.242701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.242701 (E_RNA)
where:
Base-Base interactions energy: -260.588
where: short stacking energy: -125.643
Base-Backbone interact. energy: -0.594
local terms energy: -130.060799
where:
bonds (distance) C4'-P energy: -24.436
bonds (distance) P-C4' energy: -24.902
flat angles C4'-P-C4' energy: -33.643
flat angles P-C4'-P energy: -15.044
tors. eta vs tors. theta energy: -32.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -354.747021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.747021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.747021 (E_RNA)
where:
Base-Base interactions energy: -238.463
where: short stacking energy: -104.845
Base-Backbone interact. energy: -0.296
local terms energy: -115.987189
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -24.659
flat angles C4'-P-C4' energy: -31.036
flat angles P-C4'-P energy: -25.125
tors. eta vs tors. theta energy: -19.237
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: 3
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -198.836755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.836755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.836755 (E_RNA)
where:
Base-Base interactions energy: -90.820
where: short stacking energy: -52.340
Base-Backbone interact. energy: -0.708
local terms energy: -107.308841
where:
bonds (distance) C4'-P energy: -22.446
bonds (distance) P-C4' energy: -35.429
flat angles C4'-P-C4' energy: -31.211
flat angles P-C4'-P energy: -17.794
tors. eta vs tors. theta energy: -0.429
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: 290
Temperature: 0.900000
Total energy: -594.095638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.095638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.095638 (E_RNA)
where:
Base-Base interactions energy: -406.496
where: short stacking energy: -175.825
Base-Backbone interact. energy: -1.076
local terms energy: -186.523840
where:
bonds (distance) C4'-P energy: -32.052
bonds (distance) P-C4' energy: -37.266
flat angles C4'-P-C4' energy: -42.621
flat angles P-C4'-P energy: -25.290
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: 2, replica: 9
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -590.453853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.453853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.453853 (E_RNA)
where:
Base-Base interactions energy: -410.221
where: short stacking energy: -175.982
Base-Backbone interact. energy: -0.155
local terms energy: -180.077903
where:
bonds (distance) C4'-P energy: -30.337
bonds (distance) P-C4' energy: -33.551
flat angles C4'-P-C4' energy: -40.576
flat angles P-C4'-P energy: -24.131
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: 3, replica: 1
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -535.250055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.250055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.250055 (E_RNA)
where:
Base-Base interactions energy: -372.567
where: short stacking energy: -156.177
Base-Backbone interact. energy: 0.485
local terms energy: -163.168360
where:
bonds (distance) C4'-P energy: -38.944
bonds (distance) P-C4' energy: -30.142
flat angles C4'-P-C4' energy: -36.103
flat angles P-C4'-P energy: -24.555
tors. eta vs tors. theta energy: -33.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -544.675996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.675996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.675996 (E_RNA)
where:
Base-Base interactions energy: -385.886
where: short stacking energy: -159.616
Base-Backbone interact. energy: 0.088
local terms energy: -158.878028
where:
bonds (distance) C4'-P energy: -30.266
bonds (distance) P-C4' energy: -31.046
flat angles C4'-P-C4' energy: -33.150
flat angles P-C4'-P energy: -24.986
tors. eta vs tors. theta energy: -39.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -538.940956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.940956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.940956 (E_RNA)
where:
Base-Base interactions energy: -375.082
where: short stacking energy: -159.719
Base-Backbone interact. energy: -0.629
local terms energy: -163.229608
where:
bonds (distance) C4'-P energy: -34.895
bonds (distance) P-C4' energy: -32.783
flat angles C4'-P-C4' energy: -25.091
flat angles P-C4'-P energy: -25.575
tors. eta vs tors. theta energy: -44.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -491.108891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.108891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.108891 (E_RNA)
where:
Base-Base interactions energy: -327.766
where: short stacking energy: -144.669
Base-Backbone interact. energy: -0.612
local terms energy: -162.730583
where:
bonds (distance) C4'-P energy: -37.810
bonds (distance) P-C4' energy: -38.290
flat angles C4'-P-C4' energy: -28.299
flat angles P-C4'-P energy: -20.017
tors. eta vs tors. theta energy: -38.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -389.000162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.000162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.000162 (E_RNA)
where:
Base-Base interactions energy: -243.011
where: short stacking energy: -116.127
Base-Backbone interact. energy: 1.243
local terms energy: -147.232444
where:
bonds (distance) C4'-P energy: -37.562
bonds (distance) P-C4' energy: -29.990
flat angles C4'-P-C4' energy: -28.427
flat angles P-C4'-P energy: -22.466
tors. eta vs tors. theta energy: -28.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -378.924465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.924465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.924465 (E_RNA)
where:
Base-Base interactions energy: -244.267
where: short stacking energy: -92.758
Base-Backbone interact. energy: -0.411
local terms energy: -134.246370
where:
bonds (distance) C4'-P energy: -28.710
bonds (distance) P-C4' energy: -32.990
flat angles C4'-P-C4' energy: -28.952
flat angles P-C4'-P energy: -22.036
tors. eta vs tors. theta energy: -21.558
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: 4
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -371.781888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.781888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.781888 (E_RNA)
where:
Base-Base interactions energy: -242.268
where: short stacking energy: -112.160
Base-Backbone interact. energy: -0.573
local terms energy: -128.940321
where:
bonds (distance) C4'-P energy: -18.182
bonds (distance) P-C4' energy: -31.665
flat angles C4'-P-C4' energy: -34.940
flat angles P-C4'-P energy: -21.253
tors. eta vs tors. theta energy: -22.900
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: 3
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -197.347187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.347187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.347187 (E_RNA)
where:
Base-Base interactions energy: -84.189
where: short stacking energy: -54.956
Base-Backbone interact. energy: 0.657
local terms energy: -113.814644
where:
bonds (distance) C4'-P energy: -29.678
bonds (distance) P-C4' energy: -34.634
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -20.996
tors. eta vs tors. theta energy: -10.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -601.566373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.566373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.566373 (E_RNA)
where:
Base-Base interactions energy: -415.373
where: short stacking energy: -189.245
Base-Backbone interact. energy: 0.906
local terms energy: -187.099301
where:
bonds (distance) C4'-P energy: -35.397
bonds (distance) P-C4' energy: -33.367
flat angles C4'-P-C4' energy: -40.234
flat angles P-C4'-P energy: -27.744
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: 2, replica: 9
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -582.254670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.254670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.254670 (E_RNA)
where:
Base-Base interactions energy: -405.401
where: short stacking energy: -181.145
Base-Backbone interact. energy: -0.047
local terms energy: -176.805766
where:
bonds (distance) C4'-P energy: -28.934
bonds (distance) P-C4' energy: -37.252
flat angles C4'-P-C4' energy: -36.531
flat angles P-C4'-P energy: -21.859
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: 3, replica: 1
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -539.718791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.718791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.718791 (E_RNA)
where:
Base-Base interactions energy: -369.489
where: short stacking energy: -159.699
Base-Backbone interact. energy: -0.428
local terms energy: -169.802358
where:
bonds (distance) C4'-P energy: -28.270
bonds (distance) P-C4' energy: -32.415
flat angles C4'-P-C4' energy: -39.386
flat angles P-C4'-P energy: -28.582
tors. eta vs tors. theta energy: -41.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -541.364956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.364956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.364956 (E_RNA)
where:
Base-Base interactions energy: -377.143
where: short stacking energy: -153.621
Base-Backbone interact. energy: -1.483
local terms energy: -162.738629
where:
bonds (distance) C4'-P energy: -29.677
bonds (distance) P-C4' energy: -29.076
flat angles C4'-P-C4' energy: -37.762
flat angles P-C4'-P energy: -21.313
tors. eta vs tors. theta energy: -44.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -519.850463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.850463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.850463 (E_RNA)
where:
Base-Base interactions energy: -363.144
where: short stacking energy: -147.919
Base-Backbone interact. energy: 0.399
local terms energy: -157.105911
where:
bonds (distance) C4'-P energy: -23.906
bonds (distance) P-C4' energy: -32.046
flat angles C4'-P-C4' energy: -33.282
flat angles P-C4'-P energy: -24.937
tors. eta vs tors. theta energy: -42.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -492.424595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.424595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.424595 (E_RNA)
where:
Base-Base interactions energy: -344.103
where: short stacking energy: -162.274
Base-Backbone interact. energy: 2.303
local terms energy: -150.625035
where:
bonds (distance) C4'-P energy: -27.161
bonds (distance) P-C4' energy: -31.629
flat angles C4'-P-C4' energy: -32.615
flat angles P-C4'-P energy: -13.268
tors. eta vs tors. theta energy: -45.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -365.857643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.857643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.857643 (E_RNA)
where:
Base-Base interactions energy: -238.949
where: short stacking energy: -126.931
Base-Backbone interact. energy: -0.162
local terms energy: -126.746770
where:
bonds (distance) C4'-P energy: -21.946
bonds (distance) P-C4' energy: -24.816
flat angles C4'-P-C4' energy: -28.914
flat angles P-C4'-P energy: -20.894
tors. eta vs tors. theta energy: -30.178
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: 6
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -368.970925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.970925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.970925 (E_RNA)
where:
Base-Base interactions energy: -233.073
where: short stacking energy: -121.581
Base-Backbone interact. energy: -0.251
local terms energy: -135.647209
where:
bonds (distance) C4'-P energy: -31.448
bonds (distance) P-C4' energy: -31.831
flat angles C4'-P-C4' energy: -23.898
flat angles P-C4'-P energy: -21.033
tors. eta vs tors. theta energy: -27.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -330.584248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.584248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.584248 (E_RNA)
where:
Base-Base interactions energy: -216.571
where: short stacking energy: -91.514
Base-Backbone interact. energy: 0.515
local terms energy: -114.528383
where:
bonds (distance) C4'-P energy: -25.772
bonds (distance) P-C4' energy: -22.350
flat angles C4'-P-C4' energy: -24.853
flat angles P-C4'-P energy: -23.455
tors. eta vs tors. theta energy: -18.098
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: 3
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -163.297015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.297015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.297015 (E_RNA)
where:
Base-Base interactions energy: -46.952
where: short stacking energy: -45.448
Base-Backbone interact. energy: -0.911
local terms energy: -115.433333
where:
bonds (distance) C4'-P energy: -31.901
bonds (distance) P-C4' energy: -27.131
flat angles C4'-P-C4' energy: -35.384
flat angles P-C4'-P energy: -17.872
tors. eta vs tors. theta energy: -3.146
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: 9
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -602.855983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.855983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.855983 (E_RNA)
where:
Base-Base interactions energy: -415.858
where: short stacking energy: -192.179
Base-Backbone interact. energy: -0.018
local terms energy: -186.980331
where:
bonds (distance) C4'-P energy: -29.514
bonds (distance) P-C4' energy: -33.637
flat angles C4'-P-C4' energy: -38.349
flat angles P-C4'-P energy: -31.231
tors. eta vs tors. theta energy: -54.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -599.201160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.201160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.201160 (E_RNA)
where:
Base-Base interactions energy: -413.575
where: short stacking energy: -174.605
Base-Backbone interact. energy: -0.304
local terms energy: -185.322774
where:
bonds (distance) C4'-P energy: -36.833
bonds (distance) P-C4' energy: -35.484
flat angles C4'-P-C4' energy: -35.319
flat angles P-C4'-P energy: -27.056
tors. eta vs tors. theta energy: -50.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -550.007823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.007823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.007823 (E_RNA)
where:
Base-Base interactions energy: -390.701
where: short stacking energy: -167.890
Base-Backbone interact. energy: 0.205
local terms energy: -159.511796
where:
bonds (distance) C4'-P energy: -25.311
bonds (distance) P-C4' energy: -25.856
flat angles C4'-P-C4' energy: -38.870
flat angles P-C4'-P energy: -26.543
tors. eta vs tors. theta energy: -42.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -541.659517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.659517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.659517 (E_RNA)
where:
Base-Base interactions energy: -369.372
where: short stacking energy: -167.082
Base-Backbone interact. energy: 0.148
local terms energy: -172.435595
where:
bonds (distance) C4'-P energy: -38.284
bonds (distance) P-C4' energy: -27.612
flat angles C4'-P-C4' energy: -35.887
flat angles P-C4'-P energy: -31.066
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: 5, replica: 8
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -509.327961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.327961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.327961 (E_RNA)
where:
Base-Base interactions energy: -348.026
where: short stacking energy: -134.649
Base-Backbone interact. energy: -2.022
local terms energy: -159.279503
where:
bonds (distance) C4'-P energy: -24.204
bonds (distance) P-C4' energy: -39.541
flat angles C4'-P-C4' energy: -35.655
flat angles P-C4'-P energy: -23.511
tors. eta vs tors. theta energy: -36.368
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: 292
Temperature: 1.150000
Total energy: -481.908539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.908539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.908539 (E_RNA)
where:
Base-Base interactions energy: -325.704
where: short stacking energy: -131.723
Base-Backbone interact. energy: -2.115
local terms energy: -154.088785
where:
bonds (distance) C4'-P energy: -32.634
bonds (distance) P-C4' energy: -32.651
flat angles C4'-P-C4' energy: -30.366
flat angles P-C4'-P energy: -29.122
tors. eta vs tors. theta energy: -29.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -379.490966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.490966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.490966 (E_RNA)
where:
Base-Base interactions energy: -230.603
where: short stacking energy: -123.432
Base-Backbone interact. energy: -0.882
local terms energy: -148.005617
where:
bonds (distance) C4'-P energy: -35.232
bonds (distance) P-C4' energy: -34.259
flat angles C4'-P-C4' energy: -38.100
flat angles P-C4'-P energy: -16.700
tors. eta vs tors. theta energy: -23.713
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: 8, replica: 10
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -343.021925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.021925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.021925 (E_RNA)
where:
Base-Base interactions energy: -214.324
where: short stacking energy: -107.601
Base-Backbone interact. energy: -0.246
local terms energy: -128.452416
where:
bonds (distance) C4'-P energy: -32.573
bonds (distance) P-C4' energy: -33.187
flat angles C4'-P-C4' energy: -22.846
flat angles P-C4'-P energy: -18.735
tors. eta vs tors. theta energy: -21.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -332.247551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.247551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.247551 (E_RNA)
where:
Base-Base interactions energy: -198.742
where: short stacking energy: -96.422
Base-Backbone interact. energy: -0.125
local terms energy: -133.379974
where:
bonds (distance) C4'-P energy: -26.205
bonds (distance) P-C4' energy: -38.156
flat angles C4'-P-C4' energy: -24.214
flat angles P-C4'-P energy: -18.403
tors. eta vs tors. theta energy: -26.402
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: 10, replica: 3
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -164.326287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.326287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.326287 (E_RNA)
where:
Base-Base interactions energy: -58.541
where: short stacking energy: -55.908
Base-Backbone interact. energy: 0.241
local terms energy: -106.026460
where:
bonds (distance) C4'-P energy: -21.567
bonds (distance) P-C4' energy: -37.531
flat angles C4'-P-C4' energy: -32.457
flat angles P-C4'-P energy: -17.618
tors. eta vs tors. theta energy: 3.146
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: 9
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -607.493887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.493887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.493887 (E_RNA)
where:
Base-Base interactions energy: -417.615
where: short stacking energy: -188.277
Base-Backbone interact. energy: -0.320
local terms energy: -189.558575
where:
bonds (distance) C4'-P energy: -29.045
bonds (distance) P-C4' energy: -36.451
flat angles C4'-P-C4' energy: -40.588
flat angles P-C4'-P energy: -25.690
tors. eta vs tors. theta energy: -57.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -591.371505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.371505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.371505 (E_RNA)
where:
Base-Base interactions energy: -416.544
where: short stacking energy: -170.407
Base-Backbone interact. energy: -1.633
local terms energy: -173.194978
where:
bonds (distance) C4'-P energy: -28.338
bonds (distance) P-C4' energy: -36.462
flat angles C4'-P-C4' energy: -35.184
flat angles P-C4'-P energy: -26.698
tors. eta vs tors. theta energy: -46.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -545.686303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.686303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.686303 (E_RNA)
where:
Base-Base interactions energy: -394.059
where: short stacking energy: -164.765
Base-Backbone interact. energy: -0.017
local terms energy: -151.610279
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -35.040
flat angles C4'-P-C4' energy: -36.469
flat angles P-C4'-P energy: -18.593
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: 4, replica: 8
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -537.540588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.540588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.540588 (E_RNA)
where:
Base-Base interactions energy: -385.138
where: short stacking energy: -167.506
Base-Backbone interact. energy: -2.018
local terms energy: -150.384555
where:
bonds (distance) C4'-P energy: -30.081
bonds (distance) P-C4' energy: -32.432
flat angles C4'-P-C4' energy: -29.441
flat angles P-C4'-P energy: -17.864
tors. eta vs tors. theta energy: -40.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -526.155092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.155092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.155092 (E_RNA)
where:
Base-Base interactions energy: -372.743
where: short stacking energy: -158.262
Base-Backbone interact. energy: -0.818
local terms energy: -152.593981
where:
bonds (distance) C4'-P energy: -26.168
bonds (distance) P-C4' energy: -34.715
flat angles C4'-P-C4' energy: -33.975
flat angles P-C4'-P energy: -17.265
tors. eta vs tors. theta energy: -40.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -501.781255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.781255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.781255 (E_RNA)
where:
Base-Base interactions energy: -348.718
where: short stacking energy: -137.658
Base-Backbone interact. energy: -0.251
local terms energy: -152.812308
where:
bonds (distance) C4'-P energy: -29.927
bonds (distance) P-C4' energy: -32.963
flat angles C4'-P-C4' energy: -31.870
flat angles P-C4'-P energy: -25.005
tors. eta vs tors. theta energy: -33.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -373.036375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.036375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.036375 (E_RNA)
where:
Base-Base interactions energy: -233.703
where: short stacking energy: -119.149
Base-Backbone interact. energy: -0.224
local terms energy: -139.110215
where:
bonds (distance) C4'-P energy: -31.938
bonds (distance) P-C4' energy: -33.282
flat angles C4'-P-C4' energy: -31.046
flat angles P-C4'-P energy: -22.718
tors. eta vs tors. theta energy: -20.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -348.503893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.503893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.503893 (E_RNA)
where:
Base-Base interactions energy: -231.258
where: short stacking energy: -112.049
Base-Backbone interact. energy: 1.577
local terms energy: -118.822769
where:
bonds (distance) C4'-P energy: -23.424
bonds (distance) P-C4' energy: -33.497
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -24.460
tors. eta vs tors. theta energy: -24.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -354.145572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.145572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.145572 (E_RNA)
where:
Base-Base interactions energy: -238.622
where: short stacking energy: -108.151
Base-Backbone interact. energy: 0.470
local terms energy: -115.994458
where:
bonds (distance) C4'-P energy: -26.072
bonds (distance) P-C4' energy: -33.064
flat angles C4'-P-C4' energy: -29.850
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -18.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -158.836709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.836709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.836709 (E_RNA)
where:
Base-Base interactions energy: -62.046
where: short stacking energy: -55.659
Base-Backbone interact. energy: -0.489
local terms energy: -96.302277
where:
bonds (distance) C4'-P energy: -29.868
bonds (distance) P-C4' energy: -23.696
flat angles C4'-P-C4' energy: -20.725
flat angles P-C4'-P energy: -20.167
tors. eta vs tors. theta energy: -1.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -594.438012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.438012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.438012 (E_RNA)
where:
Base-Base interactions energy: -415.591
where: short stacking energy: -176.888
Base-Backbone interact. energy: -1.040
local terms energy: -177.806508
where:
bonds (distance) C4'-P energy: -31.778
bonds (distance) P-C4' energy: -36.997
flat angles C4'-P-C4' energy: -32.375
flat angles P-C4'-P energy: -26.083
tors. eta vs tors. theta energy: -50.574
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: 9
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -600.692441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.692441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.692441 (E_RNA)
where:
Base-Base interactions energy: -410.494
where: short stacking energy: -194.970
Base-Backbone interact. energy: 1.316
local terms energy: -191.515098
where:
bonds (distance) C4'-P energy: -35.036
bonds (distance) P-C4' energy: -35.319
flat angles C4'-P-C4' energy: -38.170
flat angles P-C4'-P energy: -27.560
tors. eta vs tors. theta energy: -55.430
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: 8
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -563.040646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.040646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.040646 (E_RNA)
where:
Base-Base interactions energy: -384.746
where: short stacking energy: -143.617
Base-Backbone interact. energy: -2.915
local terms energy: -175.380065
where:
bonds (distance) C4'-P energy: -39.407
bonds (distance) P-C4' energy: -34.116
flat angles C4'-P-C4' energy: -31.911
flat angles P-C4'-P energy: -29.739
tors. eta vs tors. theta energy: -40.207
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: 7
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -528.274032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.274032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.274032 (E_RNA)
where:
Base-Base interactions energy: -354.971
where: short stacking energy: -149.357
Base-Backbone interact. energy: -0.776
local terms energy: -172.527531
where:
bonds (distance) C4'-P energy: -31.713
bonds (distance) P-C4' energy: -38.178
flat angles C4'-P-C4' energy: -38.302
flat angles P-C4'-P energy: -21.243
tors. eta vs tors. theta energy: -43.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -529.191677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.191677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.191677 (E_RNA)
where:
Base-Base interactions energy: -376.818
where: short stacking energy: -142.850
Base-Backbone interact. energy: -1.000
local terms energy: -151.373390
where:
bonds (distance) C4'-P energy: -32.395
bonds (distance) P-C4' energy: -25.618
flat angles C4'-P-C4' energy: -36.027
flat angles P-C4'-P energy: -20.124
tors. eta vs tors. theta energy: -37.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -498.357716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.357716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.357716 (E_RNA)
where:
Base-Base interactions energy: -338.229
where: short stacking energy: -141.026
Base-Backbone interact. energy: -1.631
local terms energy: -158.498125
where:
bonds (distance) C4'-P energy: -34.909
bonds (distance) P-C4' energy: -32.346
flat angles C4'-P-C4' energy: -31.089
flat angles P-C4'-P energy: -23.711
tors. eta vs tors. theta energy: -36.444
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: 6
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -380.732233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.732233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.732233 (E_RNA)
where:
Base-Base interactions energy: -255.333
where: short stacking energy: -127.320
Base-Backbone interact. energy: -1.966
local terms energy: -123.432858
where:
bonds (distance) C4'-P energy: -28.334
bonds (distance) P-C4' energy: -28.010
flat angles C4'-P-C4' energy: -30.406
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -25.354
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: 8, replica: 4
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -353.200489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.200489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.200489 (E_RNA)
where:
Base-Base interactions energy: -221.691
where: short stacking energy: -99.667
Base-Backbone interact. energy: -0.483
local terms energy: -131.026923
where:
bonds (distance) C4'-P energy: -32.105
bonds (distance) P-C4' energy: -33.944
flat angles C4'-P-C4' energy: -28.268
flat angles P-C4'-P energy: -22.714
tors. eta vs tors. theta energy: -13.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -333.482914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.482914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.482914 (E_RNA)
where:
Base-Base interactions energy: -203.018
where: short stacking energy: -102.706
Base-Backbone interact. energy: -0.074
local terms energy: -130.391304
where:
bonds (distance) C4'-P energy: -29.953
bonds (distance) P-C4' energy: -29.482
flat angles C4'-P-C4' energy: -27.863
flat angles P-C4'-P energy: -24.271
tors. eta vs tors. theta energy: -18.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -191.650503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.650503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.650503 (E_RNA)
where:
Base-Base interactions energy: -87.712
where: short stacking energy: -51.679
Base-Backbone interact. energy: -1.031
local terms energy: -102.907363
where:
bonds (distance) C4'-P energy: -23.515
bonds (distance) P-C4' energy: -33.273
flat angles C4'-P-C4' energy: -32.466
flat angles P-C4'-P energy: -15.181
tors. eta vs tors. theta energy: 1.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -589.801817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.801817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.801817 (E_RNA)
where:
Base-Base interactions energy: -401.242
where: short stacking energy: -176.503
Base-Backbone interact. energy: -2.032
local terms energy: -186.527984
where:
bonds (distance) C4'-P energy: -39.647
bonds (distance) P-C4' energy: -31.254
flat angles C4'-P-C4' energy: -35.649
flat angles P-C4'-P energy: -32.805
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: 2, replica: 9
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -595.896790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.896790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.896790 (E_RNA)
where:
Base-Base interactions energy: -422.266
where: short stacking energy: -195.391
Base-Backbone interact. energy: -0.447
local terms energy: -173.184443
where:
bonds (distance) C4'-P energy: -30.808
bonds (distance) P-C4' energy: -36.435
flat angles C4'-P-C4' energy: -31.376
flat angles P-C4'-P energy: -21.891
tors. eta vs tors. theta energy: -52.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -568.929504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.929504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.929504 (E_RNA)
where:
Base-Base interactions energy: -389.304
where: short stacking energy: -163.708
Base-Backbone interact. energy: -1.016
local terms energy: -178.609578
where:
bonds (distance) C4'-P energy: -34.946
bonds (distance) P-C4' energy: -24.176
flat angles C4'-P-C4' energy: -41.180
flat angles P-C4'-P energy: -31.700
tors. eta vs tors. theta energy: -46.606
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: 295
Temperature: 1.050000
Total energy: -521.163860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.163860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.163860 (E_RNA)
where:
Base-Base interactions energy: -378.549
where: short stacking energy: -154.220
Base-Backbone interact. energy: -0.557
local terms energy: -142.058396
where:
bonds (distance) C4'-P energy: -24.571
bonds (distance) P-C4' energy: -28.126
flat angles C4'-P-C4' energy: -29.236
flat angles P-C4'-P energy: -21.542
tors. eta vs tors. theta energy: -38.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -529.377567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.377567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.377567 (E_RNA)
where:
Base-Base interactions energy: -367.117
where: short stacking energy: -143.259
Base-Backbone interact. energy: -1.456
local terms energy: -160.804279
where:
bonds (distance) C4'-P energy: -31.367
bonds (distance) P-C4' energy: -38.450
flat angles C4'-P-C4' energy: -31.161
flat angles P-C4'-P energy: -22.755
tors. eta vs tors. theta energy: -37.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -504.279188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.279188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.279188 (E_RNA)
where:
Base-Base interactions energy: -350.861
where: short stacking energy: -158.445
Base-Backbone interact. energy: 0.188
local terms energy: -153.606443
where:
bonds (distance) C4'-P energy: -33.009
bonds (distance) P-C4' energy: -23.487
flat angles C4'-P-C4' energy: -31.049
flat angles P-C4'-P energy: -23.789
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: 7, replica: 6
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -372.835248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.835248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.835248 (E_RNA)
where:
Base-Base interactions energy: -240.328
where: short stacking energy: -116.626
Base-Backbone interact. energy: -0.914
local terms energy: -131.592504
where:
bonds (distance) C4'-P energy: -35.473
bonds (distance) P-C4' energy: -22.788
flat angles C4'-P-C4' energy: -35.894
flat angles P-C4'-P energy: -18.286
tors. eta vs tors. theta energy: -19.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -357.893470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.893470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.893470 (E_RNA)
where:
Base-Base interactions energy: -217.371
where: short stacking energy: -118.106
Base-Backbone interact. energy: -0.543
local terms energy: -139.979339
where:
bonds (distance) C4'-P energy: -29.501
bonds (distance) P-C4' energy: -22.249
flat angles C4'-P-C4' energy: -35.835
flat angles P-C4'-P energy: -25.162
tors. eta vs tors. theta energy: -27.233
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: 10
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -333.878889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.878889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.878889 (E_RNA)
where:
Base-Base interactions energy: -206.107
where: short stacking energy: -89.551
Base-Backbone interact. energy: 0.219
local terms energy: -127.991380
where:
bonds (distance) C4'-P energy: -29.111
bonds (distance) P-C4' energy: -31.201
flat angles C4'-P-C4' energy: -28.918
flat angles P-C4'-P energy: -17.871
tors. eta vs tors. theta energy: -20.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -187.623147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.623147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.623147 (E_RNA)
where:
Base-Base interactions energy: -75.746
where: short stacking energy: -61.070
Base-Backbone interact. energy: -0.206
local terms energy: -111.671060
where:
bonds (distance) C4'-P energy: -25.332
bonds (distance) P-C4' energy: -33.097
flat angles C4'-P-C4' energy: -26.314
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -15.871
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: 9
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -606.183808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.183808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.183808 (E_RNA)
where:
Base-Base interactions energy: -411.603
where: short stacking energy: -190.398
Base-Backbone interact. energy: 0.457
local terms energy: -195.038382
where:
bonds (distance) C4'-P energy: -37.951
bonds (distance) P-C4' energy: -28.926
flat angles C4'-P-C4' energy: -41.334
flat angles P-C4'-P energy: -30.302
tors. eta vs tors. theta energy: -56.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -586.319160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.319160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.319160 (E_RNA)
where:
Base-Base interactions energy: -408.615
where: short stacking energy: -171.812
Base-Backbone interact. energy: -1.834
local terms energy: -175.870708
where:
bonds (distance) C4'-P energy: -33.899
bonds (distance) P-C4' energy: -33.348
flat angles C4'-P-C4' energy: -39.616
flat angles P-C4'-P energy: -20.720
tors. eta vs tors. theta energy: -48.287
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: 8
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -570.083135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.083135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.083135 (E_RNA)
where:
Base-Base interactions energy: -405.559
where: short stacking energy: -169.348
Base-Backbone interact. energy: 0.756
local terms energy: -165.280088
where:
bonds (distance) C4'-P energy: -34.516
bonds (distance) P-C4' energy: -25.046
flat angles C4'-P-C4' energy: -34.844
flat angles P-C4'-P energy: -24.746
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: 7
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -523.884590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.884590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.884590 (E_RNA)
where:
Base-Base interactions energy: -348.199
where: short stacking energy: -153.017
Base-Backbone interact. energy: -0.214
local terms energy: -175.472243
where:
bonds (distance) C4'-P energy: -38.754
bonds (distance) P-C4' energy: -36.507
flat angles C4'-P-C4' energy: -35.103
flat angles P-C4'-P energy: -21.802
tors. eta vs tors. theta energy: -43.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -515.705719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.705719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.705719 (E_RNA)
where:
Base-Base interactions energy: -363.905
where: short stacking energy: -161.566
Base-Backbone interact. energy: -0.109
local terms energy: -151.691681
where:
bonds (distance) C4'-P energy: -29.501
bonds (distance) P-C4' energy: -29.389
flat angles C4'-P-C4' energy: -31.916
flat angles P-C4'-P energy: -23.339
tors. eta vs tors. theta energy: -37.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -508.972484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.972484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.972484 (E_RNA)
where:
Base-Base interactions energy: -361.242
where: short stacking energy: -126.025
Base-Backbone interact. energy: 1.504
local terms energy: -149.234794
where:
bonds (distance) C4'-P energy: -30.390
bonds (distance) P-C4' energy: -35.661
flat angles C4'-P-C4' energy: -27.194
flat angles P-C4'-P energy: -25.688
tors. eta vs tors. theta energy: -30.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -386.861540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.861540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.861540 (E_RNA)
where:
Base-Base interactions energy: -239.198
where: short stacking energy: -115.078
Base-Backbone interact. energy: -1.604
local terms energy: -146.059226
where:
bonds (distance) C4'-P energy: -35.802
bonds (distance) P-C4' energy: -32.510
flat angles C4'-P-C4' energy: -30.989
flat angles P-C4'-P energy: -19.859
tors. eta vs tors. theta energy: -26.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -346.645691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.645691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.645691 (E_RNA)
where:
Base-Base interactions energy: -222.144
where: short stacking energy: -107.624
Base-Backbone interact. energy: -0.416
local terms energy: -124.086067
where:
bonds (distance) C4'-P energy: -27.710
bonds (distance) P-C4' energy: -24.700
flat angles C4'-P-C4' energy: -29.529
flat angles P-C4'-P energy: -21.296
tors. eta vs tors. theta energy: -20.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -327.363571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.363571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.363571 (E_RNA)
where:
Base-Base interactions energy: -203.846
where: short stacking energy: -98.323
Base-Backbone interact. energy: -1.499
local terms energy: -122.018944
where:
bonds (distance) C4'-P energy: -29.242
bonds (distance) P-C4' energy: -28.039
flat angles C4'-P-C4' energy: -24.013
flat angles P-C4'-P energy: -17.362
tors. eta vs tors. theta energy: -23.364
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: 3
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -176.230509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.230509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.230509 (E_RNA)
where:
Base-Base interactions energy: -69.424
where: short stacking energy: -58.276
Base-Backbone interact. energy: -0.243
local terms energy: -106.563883
where:
bonds (distance) C4'-P energy: -29.090
bonds (distance) P-C4' energy: -29.422
flat angles C4'-P-C4' energy: -34.848
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -0.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -616.840503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.840503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.840503 (E_RNA)
where:
Base-Base interactions energy: -430.583
where: short stacking energy: -193.689
Base-Backbone interact. energy: -0.291
local terms energy: -185.966207
where:
bonds (distance) C4'-P energy: -29.219
bonds (distance) P-C4' energy: -33.943
flat angles C4'-P-C4' energy: -43.249
flat angles P-C4'-P energy: -26.540
tors. eta vs tors. theta energy: -53.016
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: 8
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -588.213668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.213668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.213668 (E_RNA)
where:
Base-Base interactions energy: -412.017
where: short stacking energy: -165.982
Base-Backbone interact. energy: -0.516
local terms energy: -175.680820
where:
bonds (distance) C4'-P energy: -27.560
bonds (distance) P-C4' energy: -36.261
flat angles C4'-P-C4' energy: -35.752
flat angles P-C4'-P energy: -27.250
tors. eta vs tors. theta energy: -48.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -554.520047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.520047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.520047 (E_RNA)
where:
Base-Base interactions energy: -392.354
where: short stacking energy: -161.867
Base-Backbone interact. energy: -0.722
local terms energy: -161.443494
where:
bonds (distance) C4'-P energy: -33.985
bonds (distance) P-C4' energy: -33.751
flat angles C4'-P-C4' energy: -36.073
flat angles P-C4'-P energy: -16.875
tors. eta vs tors. theta energy: -40.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -538.523787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.523787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.523787 (E_RNA)
where:
Base-Base interactions energy: -369.864
where: short stacking energy: -160.726
Base-Backbone interact. energy: -0.508
local terms energy: -168.151596
where:
bonds (distance) C4'-P energy: -26.653
bonds (distance) P-C4' energy: -32.208
flat angles C4'-P-C4' energy: -37.951
flat angles P-C4'-P energy: -28.190
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: 5, replica: 7
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -527.716741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.716741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.716741 (E_RNA)
where:
Base-Base interactions energy: -384.304
where: short stacking energy: -157.015
Base-Backbone interact. energy: -0.671
local terms energy: -142.741950
where:
bonds (distance) C4'-P energy: -26.119
bonds (distance) P-C4' energy: -26.208
flat angles C4'-P-C4' energy: -29.876
flat angles P-C4'-P energy: -16.257
tors. eta vs tors. theta energy: -44.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -525.636506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.636506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.636506 (E_RNA)
where:
Base-Base interactions energy: -363.938
where: short stacking energy: -150.483
Base-Backbone interact. energy: -0.797
local terms energy: -160.900846
where:
bonds (distance) C4'-P energy: -25.165
bonds (distance) P-C4' energy: -36.674
flat angles C4'-P-C4' energy: -36.807
flat angles P-C4'-P energy: -21.383
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: 4
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -368.772072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.772072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.772072 (E_RNA)
where:
Base-Base interactions energy: -232.489
where: short stacking energy: -109.749
Base-Backbone interact. energy: -0.787
local terms energy: -135.496418
where:
bonds (distance) C4'-P energy: -25.057
bonds (distance) P-C4' energy: -35.438
flat angles C4'-P-C4' energy: -27.477
flat angles P-C4'-P energy: -24.614
tors. eta vs tors. theta energy: -22.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -300.181213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.181213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.181213 (E_RNA)
where:
Base-Base interactions energy: -184.904
where: short stacking energy: -81.322
Base-Backbone interact. energy: 1.514
local terms energy: -116.791184
where:
bonds (distance) C4'-P energy: -33.931
bonds (distance) P-C4' energy: -32.724
flat angles C4'-P-C4' energy: -29.468
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -9.350
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: 9, replica: 10
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -325.979351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.979351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.979351 (E_RNA)
where:
Base-Base interactions energy: -195.697
where: short stacking energy: -93.801
Base-Backbone interact. energy: -1.045
local terms energy: -129.238089
where:
bonds (distance) C4'-P energy: -25.220
bonds (distance) P-C4' energy: -33.542
flat angles C4'-P-C4' energy: -31.268
flat angles P-C4'-P energy: -15.752
tors. eta vs tors. theta energy: -23.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -166.237444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.237444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.237444 (E_RNA)
where:
Base-Base interactions energy: -62.863
where: short stacking energy: -49.854
Base-Backbone interact. energy: -0.382
local terms energy: -102.991621
where:
bonds (distance) C4'-P energy: -23.701
bonds (distance) P-C4' energy: -31.677
flat angles C4'-P-C4' energy: -23.604
flat angles P-C4'-P energy: -25.504
tors. eta vs tors. theta energy: 1.495
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: 298
Temperature: 0.900000
Total energy: -611.486843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.486843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.486843 (E_RNA)
where:
Base-Base interactions energy: -430.093
where: short stacking energy: -161.843
Base-Backbone interact. energy: 1.262
local terms energy: -182.655365
where:
bonds (distance) C4'-P energy: -36.301
bonds (distance) P-C4' energy: -33.943
flat angles C4'-P-C4' energy: -37.945
flat angles P-C4'-P energy: -29.249
tors. eta vs tors. theta energy: -45.217
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: 9
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -599.642940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.642940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.642940 (E_RNA)
where:
Base-Base interactions energy: -428.512
where: short stacking energy: -187.978
Base-Backbone interact. energy: -0.273
local terms energy: -170.857784
where:
bonds (distance) C4'-P energy: -21.789
bonds (distance) P-C4' energy: -33.071
flat angles C4'-P-C4' energy: -36.676
flat angles P-C4'-P energy: -27.883
tors. eta vs tors. theta energy: -51.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -571.316605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.316605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.316605 (E_RNA)
where:
Base-Base interactions energy: -403.274
where: short stacking energy: -169.969
Base-Backbone interact. energy: -1.457
local terms energy: -166.586176
where:
bonds (distance) C4'-P energy: -23.437
bonds (distance) P-C4' energy: -36.333
flat angles C4'-P-C4' energy: -36.017
flat angles P-C4'-P energy: -19.238
tors. eta vs tors. theta energy: -51.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -559.176029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.176029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.176029 (E_RNA)
where:
Base-Base interactions energy: -385.821
where: short stacking energy: -157.785
Base-Backbone interact. energy: 0.059
local terms energy: -173.413526
where:
bonds (distance) C4'-P energy: -36.217
bonds (distance) P-C4' energy: -28.653
flat angles C4'-P-C4' energy: -38.183
flat angles P-C4'-P energy: -25.259
tors. eta vs tors. theta energy: -45.102
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: 1
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -559.618900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.618900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.618900 (E_RNA)
where:
Base-Base interactions energy: -379.865
where: short stacking energy: -161.140
Base-Backbone interact. energy: -0.616
local terms energy: -179.138066
where:
bonds (distance) C4'-P energy: -36.785
bonds (distance) P-C4' energy: -30.633
flat angles C4'-P-C4' energy: -33.878
flat angles P-C4'-P energy: -29.557
tors. eta vs tors. theta energy: -48.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -499.294828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.294828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.294828 (E_RNA)
where:
Base-Base interactions energy: -344.979
where: short stacking energy: -146.356
Base-Backbone interact. energy: -0.183
local terms energy: -154.132479
where:
bonds (distance) C4'-P energy: -31.240
bonds (distance) P-C4' energy: -34.247
flat angles C4'-P-C4' energy: -29.718
flat angles P-C4'-P energy: -15.039
tors. eta vs tors. theta energy: -43.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -365.051048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.051048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.051048 (E_RNA)
where:
Base-Base interactions energy: -209.020
where: short stacking energy: -114.457
Base-Backbone interact. energy: -0.464
local terms energy: -155.567195
where:
bonds (distance) C4'-P energy: -36.910
bonds (distance) P-C4' energy: -30.141
flat angles C4'-P-C4' energy: -34.080
flat angles P-C4'-P energy: -26.780
tors. eta vs tors. theta energy: -27.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -262.528784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.528784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.528784 (E_RNA)
where:
Base-Base interactions energy: -138.263
where: short stacking energy: -82.962
Base-Backbone interact. energy: -1.293
local terms energy: -122.972794
where:
bonds (distance) C4'-P energy: -27.590
bonds (distance) P-C4' energy: -32.754
flat angles C4'-P-C4' energy: -26.293
flat angles P-C4'-P energy: -14.750
tors. eta vs tors. theta energy: -21.585
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: 10
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -343.453337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.453337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.453337 (E_RNA)
where:
Base-Base interactions energy: -204.294
where: short stacking energy: -93.944
Base-Backbone interact. energy: -1.434
local terms energy: -137.725132
where:
bonds (distance) C4'-P energy: -32.933
bonds (distance) P-C4' energy: -33.994
flat angles C4'-P-C4' energy: -24.931
flat angles P-C4'-P energy: -23.671
tors. eta vs tors. theta energy: -22.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -157.086790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.086790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.086790 (E_RNA)
where:
Base-Base interactions energy: -61.666
where: short stacking energy: -48.079
Base-Backbone interact. energy: -0.634
local terms energy: -94.787562
where:
bonds (distance) C4'-P energy: -29.614
bonds (distance) P-C4' energy: -31.856
flat angles C4'-P-C4' energy: -26.144
flat angles P-C4'-P energy: -6.598
tors. eta vs tors. theta energy: -0.575
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: 8
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -607.253800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.253800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.253800 (E_RNA)
where:
Base-Base interactions energy: -431.600
where: short stacking energy: -152.990
Base-Backbone interact. energy: -2.001
local terms energy: -173.652579
where:
bonds (distance) C4'-P energy: -35.459
bonds (distance) P-C4' energy: -39.764
flat angles C4'-P-C4' energy: -29.878
flat angles P-C4'-P energy: -26.615
tors. eta vs tors. theta energy: -41.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -597.129890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.129890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.129890 (E_RNA)
where:
Base-Base interactions energy: -412.562
where: short stacking energy: -191.823
Base-Backbone interact. energy: 0.128
local terms energy: -184.695362
where:
bonds (distance) C4'-P energy: -34.286
bonds (distance) P-C4' energy: -33.715
flat angles C4'-P-C4' energy: -40.725
flat angles P-C4'-P energy: -23.796
tors. eta vs tors. theta energy: -52.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -575.533974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.533974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.533974 (E_RNA)
where:
Base-Base interactions energy: -385.403
where: short stacking energy: -158.763
Base-Backbone interact. energy: -1.290
local terms energy: -188.840155
where:
bonds (distance) C4'-P energy: -32.220
bonds (distance) P-C4' energy: -36.877
flat angles C4'-P-C4' energy: -39.294
flat angles P-C4'-P energy: -32.282
tors. eta vs tors. theta energy: -48.167
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: 1
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -553.513952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.513952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.513952 (E_RNA)
where:
Base-Base interactions energy: -391.413
where: short stacking energy: -164.635
Base-Backbone interact. energy: 0.011
local terms energy: -162.111591
where:
bonds (distance) C4'-P energy: -33.189
bonds (distance) P-C4' energy: -32.474
flat angles C4'-P-C4' energy: -30.966
flat angles P-C4'-P energy: -21.681
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: 5, replica: 5
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -535.900024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.900024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.900024 (E_RNA)
where:
Base-Base interactions energy: -365.017
where: short stacking energy: -155.808
Base-Backbone interact. energy: -0.247
local terms energy: -170.636415
where:
bonds (distance) C4'-P energy: -31.819
bonds (distance) P-C4' energy: -28.156
flat angles C4'-P-C4' energy: -38.800
flat angles P-C4'-P energy: -25.262
tors. eta vs tors. theta energy: -46.599
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: 7
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -483.699739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.699739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.699739 (E_RNA)
where:
Base-Base interactions energy: -328.583
where: short stacking energy: -144.498
Base-Backbone interact. energy: 1.455
local terms energy: -156.571673
where:
bonds (distance) C4'-P energy: -24.331
bonds (distance) P-C4' energy: -33.657
flat angles C4'-P-C4' energy: -37.766
flat angles P-C4'-P energy: -27.631
tors. eta vs tors. theta energy: -33.185
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: 299
Temperature: 1.200000
Total energy: -371.739546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.739546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.739546 (E_RNA)
where:
Base-Base interactions energy: -243.338
where: short stacking energy: -119.138
Base-Backbone interact. energy: 0.307
local terms energy: -128.708211
where:
bonds (distance) C4'-P energy: -19.943
bonds (distance) P-C4' energy: -30.946
flat angles C4'-P-C4' energy: -32.635
flat angles P-C4'-P energy: -20.539
tors. eta vs tors. theta energy: -24.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -339.892984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.892984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.892984 (E_RNA)
where:
Base-Base interactions energy: -213.994
where: short stacking energy: -101.443
Base-Backbone interact. energy: -0.730
local terms energy: -125.168556
where:
bonds (distance) C4'-P energy: -31.326
bonds (distance) P-C4' energy: -31.510
flat angles C4'-P-C4' energy: -33.981
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -14.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -259.593232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.593232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.593232 (E_RNA)
where:
Base-Base interactions energy: -155.571
where: short stacking energy: -83.890
Base-Backbone interact. energy: -0.408
local terms energy: -103.613991
where:
bonds (distance) C4'-P energy: -22.619
bonds (distance) P-C4' energy: -27.713
flat angles C4'-P-C4' energy: -27.894
flat angles P-C4'-P energy: -15.250
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: 10, replica: 3
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -150.346959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.346959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.346959 (E_RNA)
where:
Base-Base interactions energy: -58.376
where: short stacking energy: -50.443
Base-Backbone interact. energy: 1.036
local terms energy: -93.007118
where:
bonds (distance) C4'-P energy: -31.343
bonds (distance) P-C4' energy: -32.904
flat angles C4'-P-C4' energy: -18.596
flat angles P-C4'-P energy: -13.826
tors. eta vs tors. theta energy: 3.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -583.355972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.355972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.355972 (E_RNA)
where:
Base-Base interactions energy: -401.413
where: short stacking energy: -172.418
Base-Backbone interact. energy: 0.253
local terms energy: -182.196053
where:
bonds (distance) C4'-P energy: -34.546
bonds (distance) P-C4' energy: -32.538
flat angles C4'-P-C4' energy: -36.211
flat angles P-C4'-P energy: -31.596
tors. eta vs tors. theta energy: -47.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -601.137687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.137687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.137687 (E_RNA)
where:
Base-Base interactions energy: -419.258
where: short stacking energy: -193.389
Base-Backbone interact. energy: 1.975
local terms energy: -183.855028
where:
bonds (distance) C4'-P energy: -31.529
bonds (distance) P-C4' energy: -33.964
flat angles C4'-P-C4' energy: -37.576
flat angles P-C4'-P energy: -23.383
tors. eta vs tors. theta energy: -57.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -567.355706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.355706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.355706 (E_RNA)
where:
Base-Base interactions energy: -400.517
where: short stacking energy: -157.311
Base-Backbone interact. energy: -0.224
local terms energy: -166.614512
where:
bonds (distance) C4'-P energy: -33.894
bonds (distance) P-C4' energy: -27.022
flat angles C4'-P-C4' energy: -38.492
flat angles P-C4'-P energy: -19.565
tors. eta vs tors. theta energy: -47.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -576.027340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.027340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.027340 (E_RNA)
where:
Base-Base interactions energy: -404.777
where: short stacking energy: -169.478
Base-Backbone interact. energy: -2.102
local terms energy: -169.148550
where:
bonds (distance) C4'-P energy: -30.701
bonds (distance) P-C4' energy: -27.022
flat angles C4'-P-C4' energy: -35.351
flat angles P-C4'-P energy: -22.926
tors. eta vs tors. theta energy: -53.149
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: 5
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -530.051228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.051228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.051228 (E_RNA)
where:
Base-Base interactions energy: -362.319
where: short stacking energy: -154.726
Base-Backbone interact. energy: -0.351
local terms energy: -167.381131
where:
bonds (distance) C4'-P energy: -33.638
bonds (distance) P-C4' energy: -31.530
flat angles C4'-P-C4' energy: -36.769
flat angles P-C4'-P energy: -22.282
tors. eta vs tors. theta energy: -43.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -492.697961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.697961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.697961 (E_RNA)
where:
Base-Base interactions energy: -342.481
where: short stacking energy: -152.888
Base-Backbone interact. energy: -0.573
local terms energy: -149.644133
where:
bonds (distance) C4'-P energy: -31.769
bonds (distance) P-C4' energy: -26.308
flat angles C4'-P-C4' energy: -34.257
flat angles P-C4'-P energy: -19.760
tors. eta vs tors. theta energy: -37.549
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: 7, replica: 4
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -376.213726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.213726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.213726 (E_RNA)
where:
Base-Base interactions energy: -242.805
where: short stacking energy: -118.253
Base-Backbone interact. energy: 0.439
local terms energy: -133.847785
where:
bonds (distance) C4'-P energy: -30.957
bonds (distance) P-C4' energy: -32.779
flat angles C4'-P-C4' energy: -26.382
flat angles P-C4'-P energy: -18.690
tors. eta vs tors. theta energy: -25.040
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: 10
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -339.236288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.236288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.236288 (E_RNA)
where:
Base-Base interactions energy: -202.107
where: short stacking energy: -108.360
Base-Backbone interact. energy: -1.046
local terms energy: -136.083143
where:
bonds (distance) C4'-P energy: -28.639
bonds (distance) P-C4' energy: -27.145
flat angles C4'-P-C4' energy: -31.556
flat angles P-C4'-P energy: -25.749
tors. eta vs tors. theta energy: -22.994
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: 6
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -283.379361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.379361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.379361 (E_RNA)
where:
Base-Base interactions energy: -173.437
where: short stacking energy: -73.665
Base-Backbone interact. energy: 3.586
local terms energy: -113.527662
where:
bonds (distance) C4'-P energy: -23.282
bonds (distance) P-C4' energy: -35.395
flat angles C4'-P-C4' energy: -29.089
flat angles P-C4'-P energy: -23.579
tors. eta vs tors. theta energy: -2.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -154.668036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.668036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.668036 (E_RNA)
where:
Base-Base interactions energy: -58.270
where: short stacking energy: -45.726
Base-Backbone interact. energy: 0.730
local terms energy: -97.127562
where:
bonds (distance) C4'-P energy: -29.440
bonds (distance) P-C4' energy: -36.316
flat angles C4'-P-C4' energy: -33.092
flat angles P-C4'-P energy: -1.848
tors. eta vs tors. theta energy: 3.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -578.281449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.281449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.281449 (E_RNA)
where:
Base-Base interactions energy: -411.116
where: short stacking energy: -171.097
Base-Backbone interact. energy: 4.628
local terms energy: -171.792829
where:
bonds (distance) C4'-P energy: -32.614
bonds (distance) P-C4' energy: -33.605
flat angles C4'-P-C4' energy: -35.000
flat angles P-C4'-P energy: -24.153
tors. eta vs tors. theta energy: -46.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -608.774374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.774374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.774374 (E_RNA)
where:
Base-Base interactions energy: -424.980
where: short stacking energy: -188.882
Base-Backbone interact. energy: -0.393
local terms energy: -183.401693
where:
bonds (distance) C4'-P energy: -27.646
bonds (distance) P-C4' energy: -34.031
flat angles C4'-P-C4' energy: -41.475
flat angles P-C4'-P energy: -25.498
tors. eta vs tors. theta energy: -54.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -569.222424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.222424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.222424 (E_RNA)
where:
Base-Base interactions energy: -393.704
where: short stacking energy: -166.434
Base-Backbone interact. energy: -0.764
local terms energy: -174.754909
where:
bonds (distance) C4'-P energy: -31.658
bonds (distance) P-C4' energy: -32.451
flat angles C4'-P-C4' energy: -40.958
flat angles P-C4'-P energy: -25.006
tors. eta vs tors. theta energy: -44.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -573.009173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.009173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.009173 (E_RNA)
where:
Base-Base interactions energy: -401.829
where: short stacking energy: -163.510
Base-Backbone interact. energy: -1.430
local terms energy: -169.750037
where:
bonds (distance) C4'-P energy: -33.478
bonds (distance) P-C4' energy: -35.564
flat angles C4'-P-C4' energy: -38.275
flat angles P-C4'-P energy: -18.762
tors. eta vs tors. theta energy: -43.670
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: 5
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -512.354225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.354225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.354225 (E_RNA)
where:
Base-Base interactions energy: -340.000
where: short stacking energy: -137.823
Base-Backbone interact. energy: 0.227
local terms energy: -172.581104
where:
bonds (distance) C4'-P energy: -35.201
bonds (distance) P-C4' energy: -31.275
flat angles C4'-P-C4' energy: -36.877
flat angles P-C4'-P energy: -30.096
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: 7
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -544.972622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.972622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.972622 (E_RNA)
where:
Base-Base interactions energy: -375.896
where: short stacking energy: -164.549
Base-Backbone interact. energy: -0.132
local terms energy: -168.945054
where:
bonds (distance) C4'-P energy: -34.175
bonds (distance) P-C4' energy: -30.040
flat angles C4'-P-C4' energy: -33.617
flat angles P-C4'-P energy: -21.642
tors. eta vs tors. theta energy: -49.471
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: 4
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -367.492706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.492706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.492706 (E_RNA)
where:
Base-Base interactions energy: -235.242
where: short stacking energy: -119.664
Base-Backbone interact. energy: -1.064
local terms energy: -131.186174
where:
bonds (distance) C4'-P energy: -27.166
bonds (distance) P-C4' energy: -32.742
flat angles C4'-P-C4' energy: -24.769
flat angles P-C4'-P energy: -23.592
tors. eta vs tors. theta energy: -22.917
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: 301
Temperature: 1.250000
Total energy: -352.768878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.768878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.768878 (E_RNA)
where:
Base-Base interactions energy: -221.806
where: short stacking energy: -113.174
Base-Backbone interact. energy: -0.781
local terms energy: -130.181150
where:
bonds (distance) C4'-P energy: -27.443
bonds (distance) P-C4' energy: -26.124
flat angles C4'-P-C4' energy: -32.712
flat angles P-C4'-P energy: -18.817
tors. eta vs tors. theta energy: -25.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -299.660416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.660416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.660416 (E_RNA)
where:
Base-Base interactions energy: -188.500
where: short stacking energy: -73.021
Base-Backbone interact. energy: 0.718
local terms energy: -111.878247
where:
bonds (distance) C4'-P energy: -30.574
bonds (distance) P-C4' energy: -28.399
flat angles C4'-P-C4' energy: -30.994
flat angles P-C4'-P energy: -17.759
tors. eta vs tors. theta energy: -4.152
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: 3
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -167.504294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.504294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.504294 (E_RNA)
where:
Base-Base interactions energy: -72.128
where: short stacking energy: -40.739
Base-Backbone interact. energy: -1.343
local terms energy: -94.033927
where:
bonds (distance) C4'-P energy: -28.164
bonds (distance) P-C4' energy: -34.623
flat angles C4'-P-C4' energy: -22.269
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: 3.332
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: 9
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -608.381144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.381144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.381144 (E_RNA)
where:
Base-Base interactions energy: -412.573
where: short stacking energy: -181.931
Base-Backbone interact. energy: -0.726
local terms energy: -195.082018
where:
bonds (distance) C4'-P energy: -40.222
bonds (distance) P-C4' energy: -36.384
flat angles C4'-P-C4' energy: -36.603
flat angles P-C4'-P energy: -27.723
tors. eta vs tors. theta energy: -54.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -555.607150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.607150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.607150 (E_RNA)
where:
Base-Base interactions energy: -394.689
where: short stacking energy: -165.795
Base-Backbone interact. energy: 0.465
local terms energy: -161.383189
where:
bonds (distance) C4'-P energy: -32.615
bonds (distance) P-C4' energy: -32.274
flat angles C4'-P-C4' energy: -35.879
flat angles P-C4'-P energy: -22.875
tors. eta vs tors. theta energy: -37.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -579.917565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.917565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.917565 (E_RNA)
where:
Base-Base interactions energy: -414.166
where: short stacking energy: -165.559
Base-Backbone interact. energy: -1.249
local terms energy: -164.502931
where:
bonds (distance) C4'-P energy: -29.752
bonds (distance) P-C4' energy: -36.438
flat angles C4'-P-C4' energy: -29.881
flat angles P-C4'-P energy: -27.485
tors. eta vs tors. theta energy: -40.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -545.489140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.489140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.489140 (E_RNA)
where:
Base-Base interactions energy: -392.870
where: short stacking energy: -149.162
Base-Backbone interact. energy: -0.657
local terms energy: -151.961577
where:
bonds (distance) C4'-P energy: -34.602
bonds (distance) P-C4' energy: -22.544
flat angles C4'-P-C4' energy: -35.664
flat angles P-C4'-P energy: -20.855
tors. eta vs tors. theta energy: -38.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -528.881201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.881201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.881201 (E_RNA)
where:
Base-Base interactions energy: -361.475
where: short stacking energy: -158.571
Base-Backbone interact. energy: -0.007
local terms energy: -167.399051
where:
bonds (distance) C4'-P energy: -35.603
bonds (distance) P-C4' energy: -31.656
flat angles C4'-P-C4' energy: -37.729
flat angles P-C4'-P energy: -22.030
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: 6, replica: 7
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -516.020651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.020651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.020651 (E_RNA)
where:
Base-Base interactions energy: -362.838
where: short stacking energy: -159.519
Base-Backbone interact. energy: -0.714
local terms energy: -152.469114
where:
bonds (distance) C4'-P energy: -29.565
bonds (distance) P-C4' energy: -35.010
flat angles C4'-P-C4' energy: -32.067
flat angles P-C4'-P energy: -15.095
tors. eta vs tors. theta energy: -40.732
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: 10
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -375.510048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.510048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.510048 (E_RNA)
where:
Base-Base interactions energy: -256.717
where: short stacking energy: -102.160
Base-Backbone interact. energy: -1.202
local terms energy: -117.591018
where:
bonds (distance) C4'-P energy: -29.243
bonds (distance) P-C4' energy: -26.011
flat angles C4'-P-C4' energy: -20.347
flat angles P-C4'-P energy: -19.709
tors. eta vs tors. theta energy: -22.282
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: 8, replica: 4
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -373.494667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.494667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.494667 (E_RNA)
where:
Base-Base interactions energy: -226.718
where: short stacking energy: -111.159
Base-Backbone interact. energy: -0.323
local terms energy: -146.453934
where:
bonds (distance) C4'-P energy: -33.179
bonds (distance) P-C4' energy: -34.815
flat angles C4'-P-C4' energy: -37.068
flat angles P-C4'-P energy: -14.911
tors. eta vs tors. theta energy: -26.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -316.223167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.223167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.223167 (E_RNA)
where:
Base-Base interactions energy: -214.566
where: short stacking energy: -110.423
Base-Backbone interact. energy: 0.139
local terms energy: -101.796922
where:
bonds (distance) C4'-P energy: -23.647
bonds (distance) P-C4' energy: -24.044
flat angles C4'-P-C4' energy: -25.876
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -21.247
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: 10, replica: 3
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -152.266335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.266335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.266335 (E_RNA)
where:
Base-Base interactions energy: -52.460
where: short stacking energy: -51.808
Base-Backbone interact. energy: -0.484
local terms energy: -99.322040
where:
bonds (distance) C4'-P energy: -32.149
bonds (distance) P-C4' energy: -22.660
flat angles C4'-P-C4' energy: -31.734
flat angles P-C4'-P energy: -18.707
tors. eta vs tors. theta energy: 5.928
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: 9
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -614.448887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.448887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.448887 (E_RNA)
where:
Base-Base interactions energy: -423.901
where: short stacking energy: -197.116
Base-Backbone interact. energy: -0.492
local terms energy: -190.055839
where:
bonds (distance) C4'-P energy: -32.257
bonds (distance) P-C4' energy: -33.418
flat angles C4'-P-C4' energy: -42.849
flat angles P-C4'-P energy: -25.939
tors. eta vs tors. theta energy: -55.593
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: 2, replica: 1
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -580.504702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.504702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.504702 (E_RNA)
where:
Base-Base interactions energy: -397.480
where: short stacking energy: -173.384
Base-Backbone interact. energy: -1.042
local terms energy: -181.983025
where:
bonds (distance) C4'-P energy: -37.173
bonds (distance) P-C4' energy: -35.743
flat angles C4'-P-C4' energy: -35.644
flat angles P-C4'-P energy: -27.051
tors. eta vs tors. theta energy: -46.372
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: 303
Temperature: 1.000000
Total energy: -568.072569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.072569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.072569 (E_RNA)
where:
Base-Base interactions energy: -397.586
where: short stacking energy: -168.317
Base-Backbone interact. energy: -0.745
local terms energy: -169.740601
where:
bonds (distance) C4'-P energy: -34.186
bonds (distance) P-C4' energy: -29.281
flat angles C4'-P-C4' energy: -38.343
flat angles P-C4'-P energy: -28.757
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: 4, replica: 2
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -565.250186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.250186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.250186 (E_RNA)
where:
Base-Base interactions energy: -398.970
where: short stacking energy: -163.729
Base-Backbone interact. energy: -0.965
local terms energy: -165.315280
where:
bonds (distance) C4'-P energy: -28.119
bonds (distance) P-C4' energy: -34.176
flat angles C4'-P-C4' energy: -38.187
flat angles P-C4'-P energy: -26.099
tors. eta vs tors. theta energy: -38.735
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: 5
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -520.080362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.080362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.080362 (E_RNA)
where:
Base-Base interactions energy: -360.582
where: short stacking energy: -156.134
Base-Backbone interact. energy: -0.364
local terms energy: -159.134656
where:
bonds (distance) C4'-P energy: -31.831
bonds (distance) P-C4' energy: -26.434
flat angles C4'-P-C4' energy: -41.171
flat angles P-C4'-P energy: -18.134
tors. eta vs tors. theta energy: -41.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -478.373120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.373120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.373120 (E_RNA)
where:
Base-Base interactions energy: -336.911
where: short stacking energy: -144.513
Base-Backbone interact. energy: 0.700
local terms energy: -142.161552
where:
bonds (distance) C4'-P energy: -30.870
bonds (distance) P-C4' energy: -27.133
flat angles C4'-P-C4' energy: -33.662
flat angles P-C4'-P energy: -18.693
tors. eta vs tors. theta energy: -31.804
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: 10
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -374.443049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.443049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.443049 (E_RNA)
where:
Base-Base interactions energy: -227.296
where: short stacking energy: -107.753
Base-Backbone interact. energy: 0.459
local terms energy: -147.606187
where:
bonds (distance) C4'-P energy: -34.436
bonds (distance) P-C4' energy: -36.408
flat angles C4'-P-C4' energy: -31.880
flat angles P-C4'-P energy: -18.453
tors. eta vs tors. theta energy: -26.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -365.615427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.615427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.615427 (E_RNA)
where:
Base-Base interactions energy: -243.288
where: short stacking energy: -113.090
Base-Backbone interact. energy: -0.683
local terms energy: -121.644741
where:
bonds (distance) C4'-P energy: -23.632
bonds (distance) P-C4' energy: -32.506
flat angles C4'-P-C4' energy: -30.501
flat angles P-C4'-P energy: -6.868
tors. eta vs tors. theta energy: -28.137
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: 6
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -340.304060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.304060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.304060 (E_RNA)
where:
Base-Base interactions energy: -203.854
where: short stacking energy: -99.227
Base-Backbone interact. energy: -0.316
local terms energy: -136.133816
where:
bonds (distance) C4'-P energy: -32.431
bonds (distance) P-C4' energy: -29.796
flat angles C4'-P-C4' energy: -31.972
flat angles P-C4'-P energy: -22.714
tors. eta vs tors. theta energy: -19.221
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: 303
Temperature: 1.350000
Total energy: -155.796973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.796973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.796973 (E_RNA)
where:
Base-Base interactions energy: -54.664
where: short stacking energy: -48.983
Base-Backbone interact. energy: -0.675
local terms energy: -100.457978
where:
bonds (distance) C4'-P energy: -25.670
bonds (distance) P-C4' energy: -31.755
flat angles C4'-P-C4' energy: -26.008
flat angles P-C4'-P energy: -19.430
tors. eta vs tors. theta energy: 2.405
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: 9
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -614.840054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.840054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.840054 (E_RNA)
where:
Base-Base interactions energy: -420.310
where: short stacking energy: -193.455
Base-Backbone interact. energy: -0.009
local terms energy: -194.521115
where:
bonds (distance) C4'-P energy: -33.515
bonds (distance) P-C4' energy: -35.355
flat angles C4'-P-C4' energy: -40.410
flat angles P-C4'-P energy: -28.040
tors. eta vs tors. theta energy: -57.201
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: 304
Temperature: 0.950000
Total energy: -574.245691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.245691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.245691 (E_RNA)
where:
Base-Base interactions energy: -407.751
where: short stacking energy: -161.860
Base-Backbone interact. energy: 0.062
local terms energy: -166.556960
where:
bonds (distance) C4'-P energy: -38.098
bonds (distance) P-C4' energy: -33.142
flat angles C4'-P-C4' energy: -32.503
flat angles P-C4'-P energy: -20.726
tors. eta vs tors. theta energy: -42.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -584.697419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.697419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.697419 (E_RNA)
where:
Base-Base interactions energy: -409.941
where: short stacking energy: -159.647
Base-Backbone interact. energy: -0.832
local terms energy: -173.923653
where:
bonds (distance) C4'-P energy: -29.620
bonds (distance) P-C4' energy: -38.173
flat angles C4'-P-C4' energy: -36.563
flat angles P-C4'-P energy: -25.096
tors. eta vs tors. theta energy: -44.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -584.058432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.058432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.058432 (E_RNA)
where:
Base-Base interactions energy: -420.322
where: short stacking energy: -155.098
Base-Backbone interact. energy: -1.352
local terms energy: -162.384968
where:
bonds (distance) C4'-P energy: -27.065
bonds (distance) P-C4' energy: -29.108
flat angles C4'-P-C4' energy: -34.288
flat angles P-C4'-P energy: -31.653
tors. eta vs tors. theta energy: -40.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -544.539612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.539612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.539612 (E_RNA)
where:
Base-Base interactions energy: -384.614
where: short stacking energy: -168.400
Base-Backbone interact. energy: 0.345
local terms energy: -160.270360
where:
bonds (distance) C4'-P energy: -36.827
bonds (distance) P-C4' energy: -20.890
flat angles C4'-P-C4' energy: -31.268
flat angles P-C4'-P energy: -20.341
tors. eta vs tors. theta energy: -50.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -450.914093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.914093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.914093 (E_RNA)
where:
Base-Base interactions energy: -300.313
where: short stacking energy: -140.014
Base-Backbone interact. energy: 0.429
local terms energy: -151.029574
where:
bonds (distance) C4'-P energy: -29.269
bonds (distance) P-C4' energy: -35.835
flat angles C4'-P-C4' energy: -33.605
flat angles P-C4'-P energy: -14.523
tors. eta vs tors. theta energy: -37.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -381.925622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.925622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.925622 (E_RNA)
where:
Base-Base interactions energy: -255.626
where: short stacking energy: -112.625
Base-Backbone interact. energy: 1.284
local terms energy: -127.582779
where:
bonds (distance) C4'-P energy: -23.199
bonds (distance) P-C4' energy: -23.273
flat angles C4'-P-C4' energy: -39.280
flat angles P-C4'-P energy: -15.127
tors. eta vs tors. theta energy: -26.704
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: 304
Temperature: 1.250000
Total energy: -363.827693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.827693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.827693 (E_RNA)
where:
Base-Base interactions energy: -227.605
where: short stacking energy: -101.910
Base-Backbone interact. energy: -0.199
local terms energy: -136.024297
where:
bonds (distance) C4'-P energy: -33.723
bonds (distance) P-C4' energy: -35.761
flat angles C4'-P-C4' energy: -20.902
flat angles P-C4'-P energy: -15.369
tors. eta vs tors. theta energy: -30.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -335.553424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.553424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.553424 (E_RNA)
where:
Base-Base interactions energy: -214.100
where: short stacking energy: -100.751
Base-Backbone interact. energy: -0.195
local terms energy: -121.258037
where:
bonds (distance) C4'-P energy: -28.126
bonds (distance) P-C4' energy: -35.070
flat angles C4'-P-C4' energy: -26.202
flat angles P-C4'-P energy: -15.487
tors. eta vs tors. theta energy: -16.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -169.338228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.338228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.338228 (E_RNA)
where:
Base-Base interactions energy: -71.166
where: short stacking energy: -53.001
Base-Backbone interact. energy: -0.341
local terms energy: -97.830830
where:
bonds (distance) C4'-P energy: -25.468
bonds (distance) P-C4' energy: -32.408
flat angles C4'-P-C4' energy: -23.930
flat angles P-C4'-P energy: -16.361
tors. eta vs tors. theta energy: 0.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -612.081759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.081759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.081759 (E_RNA)
where:
Base-Base interactions energy: -416.872
where: short stacking energy: -190.129
Base-Backbone interact. energy: -0.130
local terms energy: -195.078988
where:
bonds (distance) C4'-P energy: -37.253
bonds (distance) P-C4' energy: -40.996
flat angles C4'-P-C4' energy: -38.155
flat angles P-C4'-P energy: -27.979
tors. eta vs tors. theta energy: -50.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -575.593170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.593170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.593170 (E_RNA)
where:
Base-Base interactions energy: -401.584
where: short stacking energy: -158.733
Base-Backbone interact. energy: -0.864
local terms energy: -173.144973
where:
bonds (distance) C4'-P energy: -30.136
bonds (distance) P-C4' energy: -38.102
flat angles C4'-P-C4' energy: -37.778
flat angles P-C4'-P energy: -22.876
tors. eta vs tors. theta energy: -44.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -582.253871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.253871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.253871 (E_RNA)
where:
Base-Base interactions energy: -415.617
where: short stacking energy: -145.530
Base-Backbone interact. energy: -0.091
local terms energy: -166.545581
where:
bonds (distance) C4'-P energy: -24.485
bonds (distance) P-C4' energy: -34.649
flat angles C4'-P-C4' energy: -36.523
flat angles P-C4'-P energy: -27.987
tors. eta vs tors. theta energy: -42.902
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: 8
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -585.874478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.874478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.874478 (E_RNA)
where:
Base-Base interactions energy: -421.489
where: short stacking energy: -156.541
Base-Backbone interact. energy: -2.074
local terms energy: -162.310846
where:
bonds (distance) C4'-P energy: -30.685
bonds (distance) P-C4' energy: -29.259
flat angles C4'-P-C4' energy: -38.963
flat angles P-C4'-P energy: -23.651
tors. eta vs tors. theta energy: -39.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -541.728431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.728431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.728431 (E_RNA)
where:
Base-Base interactions energy: -367.714
where: short stacking energy: -163.267
Base-Backbone interact. energy: -0.650
local terms energy: -173.364450
where:
bonds (distance) C4'-P energy: -32.019
bonds (distance) P-C4' energy: -30.464
flat angles C4'-P-C4' energy: -37.495
flat angles P-C4'-P energy: -21.124
tors. eta vs tors. theta energy: -52.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -507.896218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.896218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.896218 (E_RNA)
where:
Base-Base interactions energy: -351.178
where: short stacking energy: -146.808
Base-Backbone interact. energy: -0.175
local terms energy: -156.543544
where:
bonds (distance) C4'-P energy: -34.406
bonds (distance) P-C4' energy: -25.471
flat angles C4'-P-C4' energy: -37.436
flat angles P-C4'-P energy: -20.395
tors. eta vs tors. theta energy: -38.836
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: 7, replica: 10
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -377.220941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.220941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.220941 (E_RNA)
where:
Base-Base interactions energy: -242.436
where: short stacking energy: -119.999
Base-Backbone interact. energy: -0.279
local terms energy: -134.505939
where:
bonds (distance) C4'-P energy: -28.763
bonds (distance) P-C4' energy: -29.192
flat angles C4'-P-C4' energy: -27.976
flat angles P-C4'-P energy: -19.556
tors. eta vs tors. theta energy: -29.018
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: 6
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -358.747948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.747948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.747948 (E_RNA)
where:
Base-Base interactions energy: -224.879
where: short stacking energy: -92.926
Base-Backbone interact. energy: -0.417
local terms energy: -133.452130
where:
bonds (distance) C4'-P energy: -30.684
bonds (distance) P-C4' energy: -22.218
flat angles C4'-P-C4' energy: -30.342
flat angles P-C4'-P energy: -28.487
tors. eta vs tors. theta energy: -21.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -311.383729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.383729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.383729 (E_RNA)
where:
Base-Base interactions energy: -193.186
where: short stacking energy: -94.701
Base-Backbone interact. energy: 1.889
local terms energy: -120.086763
where:
bonds (distance) C4'-P energy: -22.091
bonds (distance) P-C4' energy: -32.116
flat angles C4'-P-C4' energy: -25.279
flat angles P-C4'-P energy: -21.106
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: 10, replica: 3
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -147.572342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.572342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.572342 (E_RNA)
where:
Base-Base interactions energy: -67.006
where: short stacking energy: -63.400
Base-Backbone interact. energy: 3.625
local terms energy: -84.190874
where:
bonds (distance) C4'-P energy: -20.865
bonds (distance) P-C4' energy: -24.025
flat angles C4'-P-C4' energy: -29.620
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: 2.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -617.840222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.840222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.840222 (E_RNA)
where:
Base-Base interactions energy: -432.047
where: short stacking energy: -192.472
Base-Backbone interact. energy: -0.752
local terms energy: -185.041304
where:
bonds (distance) C4'-P energy: -30.557
bonds (distance) P-C4' energy: -38.147
flat angles C4'-P-C4' energy: -39.165
flat angles P-C4'-P energy: -23.695
tors. eta vs tors. theta energy: -53.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -589.773565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.773565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.773565 (E_RNA)
where:
Base-Base interactions energy: -416.728
where: short stacking energy: -168.148
Base-Backbone interact. energy: -1.937
local terms energy: -171.108792
where:
bonds (distance) C4'-P energy: -31.391
bonds (distance) P-C4' energy: -36.835
flat angles C4'-P-C4' energy: -35.551
flat angles P-C4'-P energy: -18.447
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: 3, replica: 2
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -553.066559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.066559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.066559 (E_RNA)
where:
Base-Base interactions energy: -389.928
where: short stacking energy: -151.894
Base-Backbone interact. energy: -0.504
local terms energy: -162.634894
where:
bonds (distance) C4'-P energy: -34.589
bonds (distance) P-C4' energy: -36.596
flat angles C4'-P-C4' energy: -32.813
flat angles P-C4'-P energy: -17.447
tors. eta vs tors. theta energy: -41.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -556.512550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.512550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.512550 (E_RNA)
where:
Base-Base interactions energy: -385.133
where: short stacking energy: -159.770
Base-Backbone interact. energy: 0.145
local terms energy: -171.524014
where:
bonds (distance) C4'-P energy: -30.359
bonds (distance) P-C4' energy: -35.684
flat angles C4'-P-C4' energy: -35.116
flat angles P-C4'-P energy: -26.386
tors. eta vs tors. theta energy: -43.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -512.045936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.045936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.045936 (E_RNA)
where:
Base-Base interactions energy: -361.867
where: short stacking energy: -149.725
Base-Backbone interact. energy: -0.386
local terms energy: -149.792723
where:
bonds (distance) C4'-P energy: -26.894
bonds (distance) P-C4' energy: -28.979
flat angles C4'-P-C4' energy: -33.258
flat angles P-C4'-P energy: -21.617
tors. eta vs tors. theta energy: -39.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -504.116876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.116876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.116876 (E_RNA)
where:
Base-Base interactions energy: -349.626
where: short stacking energy: -164.634
Base-Backbone interact. energy: -0.524
local terms energy: -153.966620
where:
bonds (distance) C4'-P energy: -25.528
bonds (distance) P-C4' energy: -27.921
flat angles C4'-P-C4' energy: -30.359
flat angles P-C4'-P energy: -22.856
tors. eta vs tors. theta energy: -47.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -395.821032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.821032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.821032 (E_RNA)
where:
Base-Base interactions energy: -251.837
where: short stacking energy: -105.543
Base-Backbone interact. energy: -0.682
local terms energy: -143.302882
where:
bonds (distance) C4'-P energy: -31.481
bonds (distance) P-C4' energy: -37.344
flat angles C4'-P-C4' energy: -27.841
flat angles P-C4'-P energy: -18.717
tors. eta vs tors. theta energy: -27.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -333.618161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.618161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.618161 (E_RNA)
where:
Base-Base interactions energy: -200.885
where: short stacking energy: -106.047
Base-Backbone interact. energy: -0.292
local terms energy: -132.441194
where:
bonds (distance) C4'-P energy: -31.148
bonds (distance) P-C4' energy: -31.677
flat angles C4'-P-C4' energy: -31.594
flat angles P-C4'-P energy: -24.749
tors. eta vs tors. theta energy: -13.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -325.775313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.775313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.775313 (E_RNA)
where:
Base-Base interactions energy: -191.223
where: short stacking energy: -105.895
Base-Backbone interact. energy: -0.714
local terms energy: -133.837746
where:
bonds (distance) C4'-P energy: -31.763
bonds (distance) P-C4' energy: -31.764
flat angles C4'-P-C4' energy: -30.339
flat angles P-C4'-P energy: -18.757
tors. eta vs tors. theta energy: -21.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -159.189054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.189054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.189054 (E_RNA)
where:
Base-Base interactions energy: -61.269
where: short stacking energy: -55.122
Base-Backbone interact. energy: -0.676
local terms energy: -97.244385
where:
bonds (distance) C4'-P energy: -17.668
bonds (distance) P-C4' energy: -34.033
flat angles C4'-P-C4' energy: -27.489
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -6.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -615.882558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.882558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.882558 (E_RNA)
where:
Base-Base interactions energy: -427.696
where: short stacking energy: -190.479
Base-Backbone interact. energy: -1.419
local terms energy: -186.766910
where:
bonds (distance) C4'-P energy: -28.074
bonds (distance) P-C4' energy: -37.926
flat angles C4'-P-C4' energy: -40.126
flat angles P-C4'-P energy: -24.157
tors. eta vs tors. theta energy: -56.484
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: 1
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -588.994364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.994364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.994364 (E_RNA)
where:
Base-Base interactions energy: -404.949
where: short stacking energy: -179.462
Base-Backbone interact. energy: -1.537
local terms energy: -182.508229
where:
bonds (distance) C4'-P energy: -37.217
bonds (distance) P-C4' energy: -29.523
flat angles C4'-P-C4' energy: -39.201
flat angles P-C4'-P energy: -22.684
tors. eta vs tors. theta energy: -53.884
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: 2
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -570.354480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.354480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.354480 (E_RNA)
where:
Base-Base interactions energy: -399.461
where: short stacking energy: -170.717
Base-Backbone interact. energy: -1.527
local terms energy: -169.366089
where:
bonds (distance) C4'-P energy: -28.044
bonds (distance) P-C4' energy: -34.417
flat angles C4'-P-C4' energy: -37.111
flat angles P-C4'-P energy: -24.178
tors. eta vs tors. theta energy: -45.616
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: 307
Temperature: 1.050000
Total energy: -562.678639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.678639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.678639 (E_RNA)
where:
Base-Base interactions energy: -397.112
where: short stacking energy: -177.292
Base-Backbone interact. energy: 0.827
local terms energy: -166.392933
where:
bonds (distance) C4'-P energy: -19.695
bonds (distance) P-C4' energy: -36.482
flat angles C4'-P-C4' energy: -35.187
flat angles P-C4'-P energy: -26.862
tors. eta vs tors. theta energy: -48.167
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: 7
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -448.244245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.244245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.244245 (E_RNA)
where:
Base-Base interactions energy: -300.241
where: short stacking energy: -127.120
Base-Backbone interact. energy: -1.437
local terms energy: -146.566882
where:
bonds (distance) C4'-P energy: -30.360
bonds (distance) P-C4' energy: -32.173
flat angles C4'-P-C4' energy: -32.695
flat angles P-C4'-P energy: -27.311
tors. eta vs tors. theta energy: -24.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -528.699794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.699794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.699794 (E_RNA)
where:
Base-Base interactions energy: -371.302
where: short stacking energy: -164.541
Base-Backbone interact. energy: -0.284
local terms energy: -157.113630
where:
bonds (distance) C4'-P energy: -24.577
bonds (distance) P-C4' energy: -27.657
flat angles C4'-P-C4' energy: -34.128
flat angles P-C4'-P energy: -24.278
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: 7, replica: 6
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -398.667358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.667358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.667358 (E_RNA)
where:
Base-Base interactions energy: -251.881
where: short stacking energy: -120.962
Base-Backbone interact. energy: -0.115
local terms energy: -146.671409
where:
bonds (distance) C4'-P energy: -27.372
bonds (distance) P-C4' energy: -33.692
flat angles C4'-P-C4' energy: -33.292
flat angles P-C4'-P energy: -20.846
tors. eta vs tors. theta energy: -31.470
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: 307
Temperature: 1.250000
Total energy: -340.206555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.206555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.206555 (E_RNA)
where:
Base-Base interactions energy: -217.083
where: short stacking energy: -98.500
Base-Backbone interact. energy: -1.460
local terms energy: -121.663637
where:
bonds (distance) C4'-P energy: -29.889
bonds (distance) P-C4' energy: -28.059
flat angles C4'-P-C4' energy: -30.639
flat angles P-C4'-P energy: -15.739
tors. eta vs tors. theta energy: -17.337
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: 9, replica: 10
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -313.972900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.972900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.972900 (E_RNA)
where:
Base-Base interactions energy: -199.127
where: short stacking energy: -107.364
Base-Backbone interact. energy: -0.257
local terms energy: -114.588846
where:
bonds (distance) C4'-P energy: -24.155
bonds (distance) P-C4' energy: -28.149
flat angles C4'-P-C4' energy: -32.816
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -17.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -174.979057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.979057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.979057 (E_RNA)
where:
Base-Base interactions energy: -72.818
where: short stacking energy: -54.026
Base-Backbone interact. energy: -0.366
local terms energy: -101.794789
where:
bonds (distance) C4'-P energy: -23.836
bonds (distance) P-C4' energy: -29.713
flat angles C4'-P-C4' energy: -29.912
flat angles P-C4'-P energy: -15.998
tors. eta vs tors. theta energy: -2.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -596.621544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.621544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.621544 (E_RNA)
where:
Base-Base interactions energy: -410.181
where: short stacking energy: -180.964
Base-Backbone interact. energy: -2.138
local terms energy: -184.301852
where:
bonds (distance) C4'-P energy: -33.117
bonds (distance) P-C4' energy: -34.733
flat angles C4'-P-C4' energy: -38.836
flat angles P-C4'-P energy: -26.536
tors. eta vs tors. theta energy: -51.080
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: 9
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -599.816355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.816355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.816355 (E_RNA)
where:
Base-Base interactions energy: -405.974
where: short stacking energy: -190.474
Base-Backbone interact. energy: -0.022
local terms energy: -193.820701
where:
bonds (distance) C4'-P energy: -34.875
bonds (distance) P-C4' energy: -36.927
flat angles C4'-P-C4' energy: -39.763
flat angles P-C4'-P energy: -28.226
tors. eta vs tors. theta energy: -54.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -573.938486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.938486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.938486 (E_RNA)
where:
Base-Base interactions energy: -403.649
where: short stacking energy: -151.274
Base-Backbone interact. energy: -2.559
local terms energy: -167.731170
where:
bonds (distance) C4'-P energy: -32.410
bonds (distance) P-C4' energy: -34.605
flat angles C4'-P-C4' energy: -31.916
flat angles P-C4'-P energy: -23.791
tors. eta vs tors. theta energy: -45.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -547.097578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.097578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.097578 (E_RNA)
where:
Base-Base interactions energy: -380.034
where: short stacking energy: -150.361
Base-Backbone interact. energy: 0.991
local terms energy: -168.054681
where:
bonds (distance) C4'-P energy: -32.523
bonds (distance) P-C4' energy: -34.503
flat angles C4'-P-C4' energy: -38.026
flat angles P-C4'-P energy: -21.841
tors. eta vs tors. theta energy: -41.163
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: 5
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -524.260566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.260566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.260566 (E_RNA)
where:
Base-Base interactions energy: -352.012
where: short stacking energy: -149.701
Base-Backbone interact. energy: -0.165
local terms energy: -172.084331
where:
bonds (distance) C4'-P energy: -32.998
bonds (distance) P-C4' energy: -30.424
flat angles C4'-P-C4' energy: -41.456
flat angles P-C4'-P energy: -23.380
tors. eta vs tors. theta energy: -43.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -458.335127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.335127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.335127 (E_RNA)
where:
Base-Base interactions energy: -306.796
where: short stacking energy: -148.260
Base-Backbone interact. energy: -0.106
local terms energy: -151.432232
where:
bonds (distance) C4'-P energy: -25.598
bonds (distance) P-C4' energy: -36.608
flat angles C4'-P-C4' energy: -33.903
flat angles P-C4'-P energy: -17.794
tors. eta vs tors. theta energy: -37.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -379.421274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.421274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.421274 (E_RNA)
where:
Base-Base interactions energy: -258.929
where: short stacking energy: -116.677
Base-Backbone interact. energy: -0.497
local terms energy: -119.994844
where:
bonds (distance) C4'-P energy: -31.975
bonds (distance) P-C4' energy: -24.848
flat angles C4'-P-C4' energy: -24.156
flat angles P-C4'-P energy: -19.343
tors. eta vs tors. theta energy: -19.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -356.878225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.878225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.878225 (E_RNA)
where:
Base-Base interactions energy: -220.385
where: short stacking energy: -104.237
Base-Backbone interact. energy: -0.421
local terms energy: -136.072049
where:
bonds (distance) C4'-P energy: -18.630
bonds (distance) P-C4' energy: -35.449
flat angles C4'-P-C4' energy: -36.302
flat angles P-C4'-P energy: -26.955
tors. eta vs tors. theta energy: -18.737
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: 10
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -342.034292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.034292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.034292 (E_RNA)
where:
Base-Base interactions energy: -202.244
where: short stacking energy: -112.455
Base-Backbone interact. energy: -0.634
local terms energy: -139.156312
where:
bonds (distance) C4'-P energy: -23.366
bonds (distance) P-C4' energy: -35.704
flat angles C4'-P-C4' energy: -30.572
flat angles P-C4'-P energy: -23.538
tors. eta vs tors. theta energy: -25.976
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: 3
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -156.172003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.172003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.172003 (E_RNA)
where:
Base-Base interactions energy: -65.799
where: short stacking energy: -38.154
Base-Backbone interact. energy: -0.333
local terms energy: -90.040605
where:
bonds (distance) C4'-P energy: -27.640
bonds (distance) P-C4' energy: -27.896
flat angles C4'-P-C4' energy: -26.793
flat angles P-C4'-P energy: -15.651
tors. eta vs tors. theta energy: 7.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -586.926517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.926517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.926517 (E_RNA)
where:
Base-Base interactions energy: -410.259
where: short stacking energy: -172.465
Base-Backbone interact. energy: -0.898
local terms energy: -175.769603
where:
bonds (distance) C4'-P energy: -28.553
bonds (distance) P-C4' energy: -38.402
flat angles C4'-P-C4' energy: -33.544
flat angles P-C4'-P energy: -28.823
tors. eta vs tors. theta energy: -46.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -603.611539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.611539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.611539 (E_RNA)
where:
Base-Base interactions energy: -412.576
where: short stacking energy: -182.840
Base-Backbone interact. energy: -0.064
local terms energy: -190.971284
where:
bonds (distance) C4'-P energy: -31.775
bonds (distance) P-C4' energy: -38.925
flat angles C4'-P-C4' energy: -40.336
flat angles P-C4'-P energy: -26.984
tors. eta vs tors. theta energy: -52.950
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: 309
Temperature: 1.000000
Total energy: -569.624295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.624295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.624295 (E_RNA)
where:
Base-Base interactions energy: -404.227
where: short stacking energy: -175.251
Base-Backbone interact. energy: 4.178
local terms energy: -169.575452
where:
bonds (distance) C4'-P energy: -29.244
bonds (distance) P-C4' energy: -36.173
flat angles C4'-P-C4' energy: -32.854
flat angles P-C4'-P energy: -25.041
tors. eta vs tors. theta energy: -46.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -580.338606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.338606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.338606 (E_RNA)
where:
Base-Base interactions energy: -408.423
where: short stacking energy: -163.456
Base-Backbone interact. energy: -0.420
local terms energy: -171.495626
where:
bonds (distance) C4'-P energy: -33.980
bonds (distance) P-C4' energy: -34.141
flat angles C4'-P-C4' energy: -36.926
flat angles P-C4'-P energy: -25.970
tors. eta vs tors. theta energy: -40.479
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: 309
Temperature: 1.100000
Total energy: -510.705915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.705915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.705915 (E_RNA)
where:
Base-Base interactions energy: -344.751
where: short stacking energy: -153.707
Base-Backbone interact. energy: -0.327
local terms energy: -165.628514
where:
bonds (distance) C4'-P energy: -29.055
bonds (distance) P-C4' energy: -30.843
flat angles C4'-P-C4' energy: -35.931
flat angles P-C4'-P energy: -24.882
tors. eta vs tors. theta energy: -44.918
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: 7
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -457.959696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.959696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.959696 (E_RNA)
where:
Base-Base interactions energy: -302.792
where: short stacking energy: -126.929
Base-Backbone interact. energy: -1.656
local terms energy: -153.511735
where:
bonds (distance) C4'-P energy: -34.102
bonds (distance) P-C4' energy: -29.536
flat angles C4'-P-C4' energy: -34.951
flat angles P-C4'-P energy: -18.453
tors. eta vs tors. theta energy: -36.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -373.977485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.977485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.977485 (E_RNA)
where:
Base-Base interactions energy: -242.251
where: short stacking energy: -113.436
Base-Backbone interact. energy: -1.062
local terms energy: -130.665213
where:
bonds (distance) C4'-P energy: -29.716
bonds (distance) P-C4' energy: -35.912
flat angles C4'-P-C4' energy: -35.784
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -20.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -350.126411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.126411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.126411 (E_RNA)
where:
Base-Base interactions energy: -229.113
where: short stacking energy: -102.804
Base-Backbone interact. energy: -0.443
local terms energy: -120.571080
where:
bonds (distance) C4'-P energy: -31.459
bonds (distance) P-C4' energy: -26.217
flat angles C4'-P-C4' energy: -26.145
flat angles P-C4'-P energy: -22.830
tors. eta vs tors. theta energy: -13.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -357.453758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.453758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.453758 (E_RNA)
where:
Base-Base interactions energy: -240.583
where: short stacking energy: -97.666
Base-Backbone interact. energy: -0.546
local terms energy: -116.324502
where:
bonds (distance) C4'-P energy: -20.288
bonds (distance) P-C4' energy: -32.295
flat angles C4'-P-C4' energy: -32.749
flat angles P-C4'-P energy: -14.617
tors. eta vs tors. theta energy: -16.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -159.524029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.524029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.524029 (E_RNA)
where:
Base-Base interactions energy: -68.304
where: short stacking energy: -45.022
Base-Backbone interact. energy: -0.572
local terms energy: -90.648583
where:
bonds (distance) C4'-P energy: -32.454
bonds (distance) P-C4' energy: -27.556
flat angles C4'-P-C4' energy: -20.864
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: 0.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -612.298461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.298461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.298461 (E_RNA)
where:
Base-Base interactions energy: -420.948
where: short stacking energy: -185.170
Base-Backbone interact. energy: -0.169
local terms energy: -191.181290
where:
bonds (distance) C4'-P energy: -31.073
bonds (distance) P-C4' energy: -38.028
flat angles C4'-P-C4' energy: -37.908
flat angles P-C4'-P energy: -31.423
tors. eta vs tors. theta energy: -52.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -567.083706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.083706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.083706 (E_RNA)
where:
Base-Base interactions energy: -399.313
where: short stacking energy: -159.458
Base-Backbone interact. energy: -1.849
local terms energy: -165.921808
where:
bonds (distance) C4'-P energy: -26.781
bonds (distance) P-C4' energy: -34.845
flat angles C4'-P-C4' energy: -35.984
flat angles P-C4'-P energy: -24.742
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: 3, replica: 2
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -593.657257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.657257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.657257 (E_RNA)
where:
Base-Base interactions energy: -402.395
where: short stacking energy: -171.922
Base-Backbone interact. energy: -1.677
local terms energy: -189.584876
where:
bonds (distance) C4'-P energy: -32.563
bonds (distance) P-C4' energy: -37.681
flat angles C4'-P-C4' energy: -41.967
flat angles P-C4'-P energy: -26.335
tors. eta vs tors. theta energy: -51.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -553.981112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.981112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.981112 (E_RNA)
where:
Base-Base interactions energy: -401.927
where: short stacking energy: -160.059
Base-Backbone interact. energy: -1.832
local terms energy: -150.221890
where:
bonds (distance) C4'-P energy: -27.994
bonds (distance) P-C4' energy: -32.518
flat angles C4'-P-C4' energy: -29.299
flat angles P-C4'-P energy: -20.132
tors. eta vs tors. theta energy: -40.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -487.088899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.088899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.088899 (E_RNA)
where:
Base-Base interactions energy: -333.043
where: short stacking energy: -139.091
Base-Backbone interact. energy: -0.619
local terms energy: -153.426919
where:
bonds (distance) C4'-P energy: -21.605
bonds (distance) P-C4' energy: -31.847
flat angles C4'-P-C4' energy: -35.244
flat angles P-C4'-P energy: -27.138
tors. eta vs tors. theta energy: -37.592
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: 6, replica: 5
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -490.723749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.723749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.723749 (E_RNA)
where:
Base-Base interactions energy: -331.329
where: short stacking energy: -151.084
Base-Backbone interact. energy: 0.805
local terms energy: -160.199715
where:
bonds (distance) C4'-P energy: -35.902
bonds (distance) P-C4' energy: -33.554
flat angles C4'-P-C4' energy: -27.402
flat angles P-C4'-P energy: -22.283
tors. eta vs tors. theta energy: -41.059
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: 6
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -371.954855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.954855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.954855 (E_RNA)
where:
Base-Base interactions energy: -243.572
where: short stacking energy: -115.618
Base-Backbone interact. energy: -0.422
local terms energy: -127.960479
where:
bonds (distance) C4'-P energy: -29.343
bonds (distance) P-C4' energy: -35.825
flat angles C4'-P-C4' energy: -28.379
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -23.594
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: 10
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -360.151920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.151920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.151920 (E_RNA)
where:
Base-Base interactions energy: -214.653
where: short stacking energy: -105.755
Base-Backbone interact. energy: 0.962
local terms energy: -146.460200
where:
bonds (distance) C4'-P energy: -23.237
bonds (distance) P-C4' energy: -32.940
flat angles C4'-P-C4' energy: -38.232
flat angles P-C4'-P energy: -20.484
tors. eta vs tors. theta energy: -31.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -363.187549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.187549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.187549 (E_RNA)
where:
Base-Base interactions energy: -235.384
where: short stacking energy: -100.227
Base-Backbone interact. energy: -0.091
local terms energy: -127.712450
where:
bonds (distance) C4'-P energy: -30.055
bonds (distance) P-C4' energy: -28.501
flat angles C4'-P-C4' energy: -35.121
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -21.993
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: 10, replica: 3
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -153.993975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.993975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.993975 (E_RNA)
where:
Base-Base interactions energy: -60.074
where: short stacking energy: -42.428
Base-Backbone interact. energy: 0.557
local terms energy: -94.477124
where:
bonds (distance) C4'-P energy: -27.627
bonds (distance) P-C4' energy: -34.298
flat angles C4'-P-C4' energy: -11.169
flat angles P-C4'-P energy: -22.736
tors. eta vs tors. theta energy: 1.353
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: 9
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -607.690702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.690702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.690702 (E_RNA)
where:
Base-Base interactions energy: -419.348
where: short stacking energy: -183.891
Base-Backbone interact. energy: -0.188
local terms energy: -188.154034
where:
bonds (distance) C4'-P energy: -32.925
bonds (distance) P-C4' energy: -34.031
flat angles C4'-P-C4' energy: -37.884
flat angles P-C4'-P energy: -29.043
tors. eta vs tors. theta energy: -54.271
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: 311
Temperature: 0.950000
Total energy: -592.560110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.560110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.560110 (E_RNA)
where:
Base-Base interactions energy: -419.821
where: short stacking energy: -173.082
Base-Backbone interact. energy: -0.906
local terms energy: -171.832692
where:
bonds (distance) C4'-P energy: -27.378
bonds (distance) P-C4' energy: -29.212
flat angles C4'-P-C4' energy: -38.482
flat angles P-C4'-P energy: -24.266
tors. eta vs tors. theta energy: -52.495
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: 3, replica: 1
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -557.409294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.409294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.409294 (E_RNA)
where:
Base-Base interactions energy: -384.691
where: short stacking energy: -170.834
Base-Backbone interact. energy: -2.687
local terms energy: -170.031723
where:
bonds (distance) C4'-P energy: -27.452
bonds (distance) P-C4' energy: -34.344
flat angles C4'-P-C4' energy: -36.753
flat angles P-C4'-P energy: -25.048
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: 8
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -554.745885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.745885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.745885 (E_RNA)
where:
Base-Base interactions energy: -388.884
where: short stacking energy: -155.820
Base-Backbone interact. energy: -0.336
local terms energy: -165.525777
where:
bonds (distance) C4'-P energy: -33.049
bonds (distance) P-C4' energy: -33.304
flat angles C4'-P-C4' energy: -35.082
flat angles P-C4'-P energy: -27.618
tors. eta vs tors. theta energy: -36.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -485.014599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.014599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.014599 (E_RNA)
where:
Base-Base interactions energy: -339.577
where: short stacking energy: -142.747
Base-Backbone interact. energy: -0.372
local terms energy: -145.066225
where:
bonds (distance) C4'-P energy: -27.772
bonds (distance) P-C4' energy: -33.850
flat angles C4'-P-C4' energy: -33.436
flat angles P-C4'-P energy: -18.274
tors. eta vs tors. theta energy: -31.734
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: 6, replica: 5
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -432.162676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.162676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.162676 (E_RNA)
where:
Base-Base interactions energy: -298.187
where: short stacking energy: -116.431
Base-Backbone interact. energy: -0.942
local terms energy: -133.034045
where:
bonds (distance) C4'-P energy: -27.597
bonds (distance) P-C4' energy: -25.856
flat angles C4'-P-C4' energy: -36.888
flat angles P-C4'-P energy: -21.404
tors. eta vs tors. theta energy: -21.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -377.936175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.936175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.936175 (E_RNA)
where:
Base-Base interactions energy: -239.916
where: short stacking energy: -99.366
Base-Backbone interact. energy: -0.468
local terms energy: -137.551631
where:
bonds (distance) C4'-P energy: -35.895
bonds (distance) P-C4' energy: -26.845
flat angles C4'-P-C4' energy: -28.430
flat angles P-C4'-P energy: -23.899
tors. eta vs tors. theta energy: -22.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -377.248377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.248377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.248377 (E_RNA)
where:
Base-Base interactions energy: -247.965
where: short stacking energy: -116.740
Base-Backbone interact. energy: -0.411
local terms energy: -128.872154
where:
bonds (distance) C4'-P energy: -35.689
bonds (distance) P-C4' energy: -25.153
flat angles C4'-P-C4' energy: -25.202
flat angles P-C4'-P energy: -18.007
tors. eta vs tors. theta energy: -24.821
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: 10
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -361.422437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.422437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.422437 (E_RNA)
where:
Base-Base interactions energy: -240.561
where: short stacking energy: -120.354
Base-Backbone interact. energy: 0.800
local terms energy: -121.661678
where:
bonds (distance) C4'-P energy: -26.966
bonds (distance) P-C4' energy: -30.438
flat angles C4'-P-C4' energy: -24.844
flat angles P-C4'-P energy: -22.193
tors. eta vs tors. theta energy: -17.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -168.732055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.732055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.732055 (E_RNA)
where:
Base-Base interactions energy: -59.463
where: short stacking energy: -55.487
Base-Backbone interact. energy: -0.935
local terms energy: -108.334083
where:
bonds (distance) C4'-P energy: -28.183
bonds (distance) P-C4' energy: -32.907
flat angles C4'-P-C4' energy: -24.841
flat angles P-C4'-P energy: -18.990
tors. eta vs tors. theta energy: -3.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -585.597132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.597132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.597132 (E_RNA)
where:
Base-Base interactions energy: -407.043
where: short stacking energy: -176.766
Base-Backbone interact. energy: -1.572
local terms energy: -176.982578
where:
bonds (distance) C4'-P energy: -34.709
bonds (distance) P-C4' energy: -30.409
flat angles C4'-P-C4' energy: -36.653
flat angles P-C4'-P energy: -28.484
tors. eta vs tors. theta energy: -46.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -608.698785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.698785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.698785 (E_RNA)
where:
Base-Base interactions energy: -422.941
where: short stacking energy: -190.148
Base-Backbone interact. energy: -0.672
local terms energy: -185.084949
where:
bonds (distance) C4'-P energy: -33.732
bonds (distance) P-C4' energy: -32.512
flat angles C4'-P-C4' energy: -41.738
flat angles P-C4'-P energy: -23.880
tors. eta vs tors. theta energy: -53.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -567.898630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.898630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.898630 (E_RNA)
where:
Base-Base interactions energy: -393.132
where: short stacking energy: -161.291
Base-Backbone interact. energy: 0.304
local terms energy: -175.070860
where:
bonds (distance) C4'-P energy: -31.711
bonds (distance) P-C4' energy: -30.126
flat angles C4'-P-C4' energy: -38.058
flat angles P-C4'-P energy: -28.171
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: 4, replica: 8
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -560.944963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.944963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.944963 (E_RNA)
where:
Base-Base interactions energy: -402.349
where: short stacking energy: -172.434
Base-Backbone interact. energy: -0.454
local terms energy: -158.141605
where:
bonds (distance) C4'-P energy: -31.631
bonds (distance) P-C4' energy: -25.344
flat angles C4'-P-C4' energy: -37.164
flat angles P-C4'-P energy: -19.213
tors. eta vs tors. theta energy: -44.790
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: 5, replica: 7
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -523.661388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.661388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.661388 (E_RNA)
where:
Base-Base interactions energy: -380.938
where: short stacking energy: -159.338
Base-Backbone interact. energy: -2.189
local terms energy: -140.535203
where:
bonds (distance) C4'-P energy: -25.949
bonds (distance) P-C4' energy: -23.313
flat angles C4'-P-C4' energy: -36.229
flat angles P-C4'-P energy: -10.081
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: 6, replica: 5
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -435.126514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.126514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.126514 (E_RNA)
where:
Base-Base interactions energy: -297.375
where: short stacking energy: -124.243
Base-Backbone interact. energy: -1.552
local terms energy: -136.199752
where:
bonds (distance) C4'-P energy: -29.748
bonds (distance) P-C4' energy: -23.857
flat angles C4'-P-C4' energy: -35.354
flat angles P-C4'-P energy: -20.369
tors. eta vs tors. theta energy: -26.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -396.335145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.335145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.335145 (E_RNA)
where:
Base-Base interactions energy: -272.943
where: short stacking energy: -126.413
Base-Backbone interact. energy: -0.456
local terms energy: -122.936389
where:
bonds (distance) C4'-P energy: -25.720
bonds (distance) P-C4' energy: -22.528
flat angles C4'-P-C4' energy: -25.886
flat angles P-C4'-P energy: -24.157
tors. eta vs tors. theta energy: -24.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -356.310695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.310695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.310695 (E_RNA)
where:
Base-Base interactions energy: -229.883
where: short stacking energy: -108.780
Base-Backbone interact. energy: -0.134
local terms energy: -126.293285
where:
bonds (distance) C4'-P energy: -36.505
bonds (distance) P-C4' energy: -18.714
flat angles C4'-P-C4' energy: -30.870
flat angles P-C4'-P energy: -18.236
tors. eta vs tors. theta energy: -21.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -359.193780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.193780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.193780 (E_RNA)
where:
Base-Base interactions energy: -229.088
where: short stacking energy: -108.370
Base-Backbone interact. energy: -0.474
local terms energy: -129.631757
where:
bonds (distance) C4'-P energy: -24.001
bonds (distance) P-C4' energy: -33.516
flat angles C4'-P-C4' energy: -34.037
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -27.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -160.816708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.816708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.816708 (E_RNA)
where:
Base-Base interactions energy: -48.407
where: short stacking energy: -49.407
Base-Backbone interact. energy: -0.425
local terms energy: -111.984469
where:
bonds (distance) C4'-P energy: -36.316
bonds (distance) P-C4' energy: -30.635
flat angles C4'-P-C4' energy: -28.274
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -6.008
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: 2
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -594.415057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.415057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.415057 (E_RNA)
where:
Base-Base interactions energy: -406.037
where: short stacking energy: -174.625
Base-Backbone interact. energy: -2.203
local terms energy: -186.175352
where:
bonds (distance) C4'-P energy: -32.387
bonds (distance) P-C4' energy: -38.252
flat angles C4'-P-C4' energy: -36.371
flat angles P-C4'-P energy: -30.461
tors. eta vs tors. theta energy: -48.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -605.111632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.111632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.111632 (E_RNA)
where:
Base-Base interactions energy: -421.705
where: short stacking energy: -196.508
Base-Backbone interact. energy: -0.536
local terms energy: -182.870530
where:
bonds (distance) C4'-P energy: -30.769
bonds (distance) P-C4' energy: -35.672
flat angles C4'-P-C4' energy: -40.119
flat angles P-C4'-P energy: -23.013
tors. eta vs tors. theta energy: -53.297
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: 1
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -574.349771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.349771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.349771 (E_RNA)
where:
Base-Base interactions energy: -401.077
where: short stacking energy: -155.937
Base-Backbone interact. energy: 0.118
local terms energy: -173.390582
where:
bonds (distance) C4'-P energy: -35.553
bonds (distance) P-C4' energy: -31.787
flat angles C4'-P-C4' energy: -37.307
flat angles P-C4'-P energy: -28.639
tors. eta vs tors. theta energy: -40.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -578.527257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.527257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.527257 (E_RNA)
where:
Base-Base interactions energy: -415.928
where: short stacking energy: -176.373
Base-Backbone interact. energy: -0.329
local terms energy: -162.270273
where:
bonds (distance) C4'-P energy: -25.330
bonds (distance) P-C4' energy: -28.381
flat angles C4'-P-C4' energy: -39.151
flat angles P-C4'-P energy: -24.979
tors. eta vs tors. theta energy: -44.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -510.571540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.571540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.571540 (E_RNA)
where:
Base-Base interactions energy: -345.402
where: short stacking energy: -145.247
Base-Backbone interact. energy: -0.687
local terms energy: -164.482985
where:
bonds (distance) C4'-P energy: -40.118
bonds (distance) P-C4' energy: -29.946
flat angles C4'-P-C4' energy: -37.089
flat angles P-C4'-P energy: -19.287
tors. eta vs tors. theta energy: -38.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -459.450317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.450317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.450317 (E_RNA)
where:
Base-Base interactions energy: -314.948
where: short stacking energy: -132.083
Base-Backbone interact. energy: -0.094
local terms energy: -144.409184
where:
bonds (distance) C4'-P energy: -35.052
bonds (distance) P-C4' energy: -36.405
flat angles C4'-P-C4' energy: -26.430
flat angles P-C4'-P energy: -20.170
tors. eta vs tors. theta energy: -26.352
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: 7, replica: 6
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -375.056160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.056160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.056160 (E_RNA)
where:
Base-Base interactions energy: -259.036
where: short stacking energy: -101.621
Base-Backbone interact. energy: -1.489
local terms energy: -114.531149
where:
bonds (distance) C4'-P energy: -28.545
bonds (distance) P-C4' energy: -31.567
flat angles C4'-P-C4' energy: -25.049
flat angles P-C4'-P energy: -18.400
tors. eta vs tors. theta energy: -10.971
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: 8, replica: 10
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -366.444711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.444711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.444711 (E_RNA)
where:
Base-Base interactions energy: -226.394
where: short stacking energy: -111.795
Base-Backbone interact. energy: -0.607
local terms energy: -139.443778
where:
bonds (distance) C4'-P energy: -25.651
bonds (distance) P-C4' energy: -34.173
flat angles C4'-P-C4' energy: -33.726
flat angles P-C4'-P energy: -20.785
tors. eta vs tors. theta energy: -25.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -353.977049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.977049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.977049 (E_RNA)
where:
Base-Base interactions energy: -226.166
where: short stacking energy: -99.468
Base-Backbone interact. energy: -1.841
local terms energy: -125.969463
where:
bonds (distance) C4'-P energy: -28.166
bonds (distance) P-C4' energy: -35.687
flat angles C4'-P-C4' energy: -24.406
flat angles P-C4'-P energy: -17.030
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: 10, replica: 3
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -145.928619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.928619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.928619 (E_RNA)
where:
Base-Base interactions energy: -53.130
where: short stacking energy: -46.461
Base-Backbone interact. energy: 3.116
local terms energy: -95.915374
where:
bonds (distance) C4'-P energy: -21.715
bonds (distance) P-C4' energy: -37.478
flat angles C4'-P-C4' energy: -27.379
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: 2.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -611.925375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.925375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.925375 (E_RNA)
where:
Base-Base interactions energy: -427.903
where: short stacking energy: -198.259
Base-Backbone interact. energy: -0.509
local terms energy: -183.513379
where:
bonds (distance) C4'-P energy: -33.235
bonds (distance) P-C4' energy: -27.225
flat angles C4'-P-C4' energy: -40.330
flat angles P-C4'-P energy: -27.059
tors. eta vs tors. theta energy: -55.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -591.156294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.156294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.156294 (E_RNA)
where:
Base-Base interactions energy: -415.932
where: short stacking energy: -168.081
Base-Backbone interact. energy: -0.985
local terms energy: -174.239033
where:
bonds (distance) C4'-P energy: -38.770
bonds (distance) P-C4' energy: -30.202
flat angles C4'-P-C4' energy: -39.063
flat angles P-C4'-P energy: -21.401
tors. eta vs tors. theta energy: -44.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -580.651355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.651355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.651355 (E_RNA)
where:
Base-Base interactions energy: -396.843
where: short stacking energy: -173.975
Base-Backbone interact. energy: -0.667
local terms energy: -183.142155
where:
bonds (distance) C4'-P energy: -35.865
bonds (distance) P-C4' energy: -34.531
flat angles C4'-P-C4' energy: -43.365
flat angles P-C4'-P energy: -20.728
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: 1
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -556.236221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.236221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.236221 (E_RNA)
where:
Base-Base interactions energy: -393.949
where: short stacking energy: -147.737
Base-Backbone interact. energy: -0.741
local terms energy: -161.545613
where:
bonds (distance) C4'-P energy: -30.470
bonds (distance) P-C4' energy: -31.051
flat angles C4'-P-C4' energy: -33.296
flat angles P-C4'-P energy: -23.766
tors. eta vs tors. theta energy: -42.963
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: 7
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -518.208255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.208255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.208255 (E_RNA)
where:
Base-Base interactions energy: -357.176
where: short stacking energy: -149.552
Base-Backbone interact. energy: 0.290
local terms energy: -161.322557
where:
bonds (distance) C4'-P energy: -34.433
bonds (distance) P-C4' energy: -33.179
flat angles C4'-P-C4' energy: -37.939
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -43.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -483.172903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.172903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.172903 (E_RNA)
where:
Base-Base interactions energy: -340.384
where: short stacking energy: -127.680
Base-Backbone interact. energy: -0.984
local terms energy: -141.805337
where:
bonds (distance) C4'-P energy: -26.766
bonds (distance) P-C4' energy: -24.951
flat angles C4'-P-C4' energy: -32.731
flat angles P-C4'-P energy: -26.407
tors. eta vs tors. theta energy: -30.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -356.621208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.621208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.621208 (E_RNA)
where:
Base-Base interactions energy: -224.330
where: short stacking energy: -109.635
Base-Backbone interact. energy: -0.336
local terms energy: -131.955599
where:
bonds (distance) C4'-P energy: -27.320
bonds (distance) P-C4' energy: -36.222
flat angles C4'-P-C4' energy: -34.385
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: -21.184
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: 6
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -364.904623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.904623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.904623 (E_RNA)
where:
Base-Base interactions energy: -217.922
where: short stacking energy: -97.377
Base-Backbone interact. energy: 1.308
local terms energy: -148.290950
where:
bonds (distance) C4'-P energy: -35.734
bonds (distance) P-C4' energy: -39.298
flat angles C4'-P-C4' energy: -31.953
flat angles P-C4'-P energy: -23.286
tors. eta vs tors. theta energy: -18.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -354.087883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.087883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.087883 (E_RNA)
where:
Base-Base interactions energy: -235.244
where: short stacking energy: -107.794
Base-Backbone interact. energy: 1.082
local terms energy: -119.925847
where:
bonds (distance) C4'-P energy: -24.888
bonds (distance) P-C4' energy: -21.987
flat angles C4'-P-C4' energy: -27.685
flat angles P-C4'-P energy: -24.509
tors. eta vs tors. theta energy: -20.857
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: 314
Temperature: 1.350000
Total energy: -153.242161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.242161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.242161 (E_RNA)
where:
Base-Base interactions energy: -56.156
where: short stacking energy: -50.076
Base-Backbone interact. energy: -0.089
local terms energy: -96.996522
where:
bonds (distance) C4'-P energy: -27.063
bonds (distance) P-C4' energy: -29.673
flat angles C4'-P-C4' energy: -29.544
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: 2.575
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: 9
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -610.807420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.807420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.807420 (E_RNA)
where:
Base-Base interactions energy: -423.252
where: short stacking energy: -193.335
Base-Backbone interact. energy: -0.400
local terms energy: -187.155138
where:
bonds (distance) C4'-P energy: -26.092
bonds (distance) P-C4' energy: -36.633
flat angles C4'-P-C4' energy: -40.486
flat angles P-C4'-P energy: -24.530
tors. eta vs tors. theta energy: -59.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -600.214696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.214696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.214696 (E_RNA)
where:
Base-Base interactions energy: -414.449
where: short stacking energy: -168.536
Base-Backbone interact. energy: -0.067
local terms energy: -185.699225
where:
bonds (distance) C4'-P energy: -38.580
bonds (distance) P-C4' energy: -36.923
flat angles C4'-P-C4' energy: -36.405
flat angles P-C4'-P energy: -24.161
tors. eta vs tors. theta energy: -49.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -579.786201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.786201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.786201 (E_RNA)
where:
Base-Base interactions energy: -415.578
where: short stacking energy: -160.241
Base-Backbone interact. energy: -0.539
local terms energy: -163.669186
where:
bonds (distance) C4'-P energy: -33.895
bonds (distance) P-C4' energy: -34.989
flat angles C4'-P-C4' energy: -35.445
flat angles P-C4'-P energy: -18.589
tors. eta vs tors. theta energy: -40.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -562.229728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.229728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.229728 (E_RNA)
where:
Base-Base interactions energy: -397.558
where: short stacking energy: -154.336
Base-Backbone interact. energy: -0.561
local terms energy: -164.110921
where:
bonds (distance) C4'-P energy: -35.371
bonds (distance) P-C4' energy: -36.962
flat angles C4'-P-C4' energy: -29.178
flat angles P-C4'-P energy: -23.761
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: 7
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -472.762193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.762193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.762193 (E_RNA)
where:
Base-Base interactions energy: -332.228
where: short stacking energy: -139.213
Base-Backbone interact. energy: 0.820
local terms energy: -141.354245
where:
bonds (distance) C4'-P energy: -29.792
bonds (distance) P-C4' energy: -25.925
flat angles C4'-P-C4' energy: -36.928
flat angles P-C4'-P energy: -16.651
tors. eta vs tors. theta energy: -32.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -473.365252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.365252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.365252 (E_RNA)
where:
Base-Base interactions energy: -331.640
where: short stacking energy: -143.224
Base-Backbone interact. energy: -0.096
local terms energy: -141.630070
where:
bonds (distance) C4'-P energy: -26.714
bonds (distance) P-C4' energy: -26.297
flat angles C4'-P-C4' energy: -36.729
flat angles P-C4'-P energy: -20.179
tors. eta vs tors. theta energy: -31.710
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: 315
Temperature: 1.200000
Total energy: -350.957153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.957153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.957153 (E_RNA)
where:
Base-Base interactions energy: -219.024
where: short stacking energy: -116.781
Base-Backbone interact. energy: 1.757
local terms energy: -133.689770
where:
bonds (distance) C4'-P energy: -31.942
bonds (distance) P-C4' energy: -28.773
flat angles C4'-P-C4' energy: -24.614
flat angles P-C4'-P energy: -21.801
tors. eta vs tors. theta energy: -26.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -391.955555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.955555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.955555 (E_RNA)
where:
Base-Base interactions energy: -252.509
where: short stacking energy: -120.190
Base-Backbone interact. energy: -0.141
local terms energy: -139.306386
where:
bonds (distance) C4'-P energy: -31.111
bonds (distance) P-C4' energy: -29.985
flat angles C4'-P-C4' energy: -26.444
flat angles P-C4'-P energy: -20.045
tors. eta vs tors. theta energy: -31.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -396.084866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.084866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.084866 (E_RNA)
where:
Base-Base interactions energy: -253.642
where: short stacking energy: -117.435
Base-Backbone interact. energy: -0.499
local terms energy: -141.944261
where:
bonds (distance) C4'-P energy: -26.739
bonds (distance) P-C4' energy: -34.849
flat angles C4'-P-C4' energy: -26.028
flat angles P-C4'-P energy: -20.553
tors. eta vs tors. theta energy: -33.776
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: 3
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -165.966449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.966449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.966449 (E_RNA)
where:
Base-Base interactions energy: -65.091
where: short stacking energy: -59.830
Base-Backbone interact. energy: -0.122
local terms energy: -100.753280
where:
bonds (distance) C4'-P energy: -20.233
bonds (distance) P-C4' energy: -38.319
flat angles C4'-P-C4' energy: -28.895
flat angles P-C4'-P energy: -12.554
tors. eta vs tors. theta energy: -0.753
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: 2
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -616.874205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.874205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.874205 (E_RNA)
where:
Base-Base interactions energy: -423.962
where: short stacking energy: -175.805
Base-Backbone interact. energy: -0.606
local terms energy: -192.306053
where:
bonds (distance) C4'-P energy: -37.276
bonds (distance) P-C4' energy: -38.243
flat angles C4'-P-C4' energy: -42.617
flat angles P-C4'-P energy: -23.194
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: 2, replica: 9
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -609.401776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.401776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.401776 (E_RNA)
where:
Base-Base interactions energy: -421.618
where: short stacking energy: -194.502
Base-Backbone interact. energy: -0.100
local terms energy: -187.683435
where:
bonds (distance) C4'-P energy: -35.657
bonds (distance) P-C4' energy: -32.958
flat angles C4'-P-C4' energy: -36.586
flat angles P-C4'-P energy: -25.859
tors. eta vs tors. theta energy: -56.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -573.426232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.426232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.426232 (E_RNA)
where:
Base-Base interactions energy: -399.185
where: short stacking energy: -172.038
Base-Backbone interact. energy: -1.780
local terms energy: -172.461166
where:
bonds (distance) C4'-P energy: -31.793
bonds (distance) P-C4' energy: -33.595
flat angles C4'-P-C4' energy: -38.562
flat angles P-C4'-P energy: -22.774
tors. eta vs tors. theta energy: -45.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -564.765095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.765095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.765095 (E_RNA)
where:
Base-Base interactions energy: -398.678
where: short stacking energy: -166.301
Base-Backbone interact. energy: -0.638
local terms energy: -165.449674
where:
bonds (distance) C4'-P energy: -30.650
bonds (distance) P-C4' energy: -29.588
flat angles C4'-P-C4' energy: -34.849
flat angles P-C4'-P energy: -27.343
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: 5, replica: 7
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -501.854170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.854170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.854170 (E_RNA)
where:
Base-Base interactions energy: -338.370
where: short stacking energy: -136.902
Base-Backbone interact. energy: -0.564
local terms energy: -162.920103
where:
bonds (distance) C4'-P energy: -34.790
bonds (distance) P-C4' energy: -31.599
flat angles C4'-P-C4' energy: -37.000
flat angles P-C4'-P energy: -27.591
tors. eta vs tors. theta energy: -31.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -499.541128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.541128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.541128 (E_RNA)
where:
Base-Base interactions energy: -336.285
where: short stacking energy: -145.067
Base-Backbone interact. energy: -0.773
local terms energy: -162.482533
where:
bonds (distance) C4'-P energy: -30.242
bonds (distance) P-C4' energy: -34.224
flat angles C4'-P-C4' energy: -35.761
flat angles P-C4'-P energy: -24.789
tors. eta vs tors. theta energy: -37.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -390.051862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.051862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.051862 (E_RNA)
where:
Base-Base interactions energy: -257.331
where: short stacking energy: -120.976
Base-Backbone interact. energy: -0.408
local terms energy: -132.312226
where:
bonds (distance) C4'-P energy: -31.128
bonds (distance) P-C4' energy: -28.545
flat angles C4'-P-C4' energy: -21.557
flat angles P-C4'-P energy: -25.175
tors. eta vs tors. theta energy: -25.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -378.755996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.755996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.755996 (E_RNA)
where:
Base-Base interactions energy: -245.179
where: short stacking energy: -118.523
Base-Backbone interact. energy: -1.296
local terms energy: -132.280884
where:
bonds (distance) C4'-P energy: -32.900
bonds (distance) P-C4' energy: -28.208
flat angles C4'-P-C4' energy: -27.620
flat angles P-C4'-P energy: -14.562
tors. eta vs tors. theta energy: -28.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -353.179475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.179475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.179475 (E_RNA)
where:
Base-Base interactions energy: -222.864
where: short stacking energy: -95.610
Base-Backbone interact. energy: -0.607
local terms energy: -129.707672
where:
bonds (distance) C4'-P energy: -27.281
bonds (distance) P-C4' energy: -34.604
flat angles C4'-P-C4' energy: -26.229
flat angles P-C4'-P energy: -27.745
tors. eta vs tors. theta energy: -13.849
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: 3
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -162.188537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.188537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.188537 (E_RNA)
where:
Base-Base interactions energy: -63.052
where: short stacking energy: -57.504
Base-Backbone interact. energy: -0.585
local terms energy: -98.551991
where:
bonds (distance) C4'-P energy: -25.985
bonds (distance) P-C4' energy: -28.630
flat angles C4'-P-C4' energy: -30.084
flat angles P-C4'-P energy: -13.498
tors. eta vs tors. theta energy: -0.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -624.284640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.284640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.284640 (E_RNA)
where:
Base-Base interactions energy: -446.745
where: short stacking energy: -171.430
Base-Backbone interact. energy: -1.833
local terms energy: -175.706612
where:
bonds (distance) C4'-P energy: -35.826
bonds (distance) P-C4' energy: -29.026
flat angles C4'-P-C4' energy: -40.708
flat angles P-C4'-P energy: -20.790
tors. eta vs tors. theta energy: -49.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -595.954879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.954879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.954879 (E_RNA)
where:
Base-Base interactions energy: -409.155
where: short stacking energy: -178.630
Base-Backbone interact. energy: 0.446
local terms energy: -187.245817
where:
bonds (distance) C4'-P energy: -33.778
bonds (distance) P-C4' energy: -35.803
flat angles C4'-P-C4' energy: -32.383
flat angles P-C4'-P energy: -29.943
tors. eta vs tors. theta energy: -55.339
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: 1
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -572.928505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.928505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.928505 (E_RNA)
where:
Base-Base interactions energy: -406.818
where: short stacking energy: -159.317
Base-Backbone interact. energy: -1.389
local terms energy: -164.721748
where:
bonds (distance) C4'-P energy: -30.860
bonds (distance) P-C4' energy: -27.838
flat angles C4'-P-C4' energy: -34.317
flat angles P-C4'-P energy: -27.591
tors. eta vs tors. theta energy: -44.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -538.555106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.555106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.555106 (E_RNA)
where:
Base-Base interactions energy: -375.910
where: short stacking energy: -151.144
Base-Backbone interact. energy: -0.882
local terms energy: -161.763188
where:
bonds (distance) C4'-P energy: -27.090
bonds (distance) P-C4' energy: -33.550
flat angles C4'-P-C4' energy: -34.593
flat angles P-C4'-P energy: -26.317
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: 5, replica: 7
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -502.585571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.585571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.585571 (E_RNA)
where:
Base-Base interactions energy: -353.629
where: short stacking energy: -145.788
Base-Backbone interact. energy: -0.238
local terms energy: -148.718614
where:
bonds (distance) C4'-P energy: -33.201
bonds (distance) P-C4' energy: -27.946
flat angles C4'-P-C4' energy: -32.018
flat angles P-C4'-P energy: -17.639
tors. eta vs tors. theta energy: -37.915
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: 6
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -426.393693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.393693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.393693 (E_RNA)
where:
Base-Base interactions energy: -276.232
where: short stacking energy: -124.061
Base-Backbone interact. energy: -0.913
local terms energy: -149.248891
where:
bonds (distance) C4'-P energy: -28.197
bonds (distance) P-C4' energy: -33.163
flat angles C4'-P-C4' energy: -37.417
flat angles P-C4'-P energy: -21.800
tors. eta vs tors. theta energy: -28.673
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: 317
Temperature: 1.200000
Total energy: -448.614004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.614004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.614004 (E_RNA)
where:
Base-Base interactions energy: -298.716
where: short stacking energy: -137.509
Base-Backbone interact. energy: -0.595
local terms energy: -149.303865
where:
bonds (distance) C4'-P energy: -28.896
bonds (distance) P-C4' energy: -36.134
flat angles C4'-P-C4' energy: -32.245
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -40.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -387.791963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.791963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.791963 (E_RNA)
where:
Base-Base interactions energy: -260.259
where: short stacking energy: -127.106
Base-Backbone interact. energy: 2.098
local terms energy: -129.631135
where:
bonds (distance) C4'-P energy: -21.848
bonds (distance) P-C4' energy: -28.286
flat angles C4'-P-C4' energy: -23.282
flat angles P-C4'-P energy: -21.250
tors. eta vs tors. theta energy: -34.966
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: 317
Temperature: 1.300000
Total energy: -350.208316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.208316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.208316 (E_RNA)
where:
Base-Base interactions energy: -233.590
where: short stacking energy: -110.363
Base-Backbone interact. energy: -0.478
local terms energy: -116.139812
where:
bonds (distance) C4'-P energy: -33.070
bonds (distance) P-C4' energy: -20.762
flat angles C4'-P-C4' energy: -24.772
flat angles P-C4'-P energy: -16.599
tors. eta vs tors. theta energy: -20.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -159.026806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.026806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.026806 (E_RNA)
where:
Base-Base interactions energy: -56.763
where: short stacking energy: -47.501
Base-Backbone interact. energy: 1.266
local terms energy: -103.529573
where:
bonds (distance) C4'-P energy: -24.167
bonds (distance) P-C4' energy: -38.192
flat angles C4'-P-C4' energy: -32.442
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: 3.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -599.288941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.288941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.288941 (E_RNA)
where:
Base-Base interactions energy: -421.882
where: short stacking energy: -168.654
Base-Backbone interact. energy: -4.050
local terms energy: -173.357309
where:
bonds (distance) C4'-P energy: -31.374
bonds (distance) P-C4' energy: -31.941
flat angles C4'-P-C4' energy: -40.966
flat angles P-C4'-P energy: -26.960
tors. eta vs tors. theta energy: -42.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -579.253287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.253287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.253287 (E_RNA)
where:
Base-Base interactions energy: -397.289
where: short stacking energy: -185.004
Base-Backbone interact. energy: -0.045
local terms energy: -181.919779
where:
bonds (distance) C4'-P energy: -32.081
bonds (distance) P-C4' energy: -39.795
flat angles C4'-P-C4' energy: -32.306
flat angles P-C4'-P energy: -26.204
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: 3, replica: 8
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -575.307005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.307005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.307005 (E_RNA)
where:
Base-Base interactions energy: -411.190
where: short stacking energy: -165.521
Base-Backbone interact. energy: -1.859
local terms energy: -162.258567
where:
bonds (distance) C4'-P energy: -29.631
bonds (distance) P-C4' energy: -29.719
flat angles C4'-P-C4' energy: -38.323
flat angles P-C4'-P energy: -18.549
tors. eta vs tors. theta energy: -46.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -558.758482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.758482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.758482 (E_RNA)
where:
Base-Base interactions energy: -394.947
where: short stacking energy: -155.190
Base-Backbone interact. energy: 0.571
local terms energy: -164.382098
where:
bonds (distance) C4'-P energy: -29.786
bonds (distance) P-C4' energy: -29.298
flat angles C4'-P-C4' energy: -39.473
flat angles P-C4'-P energy: -22.502
tors. eta vs tors. theta energy: -43.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -506.207360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.207360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.207360 (E_RNA)
where:
Base-Base interactions energy: -357.171
where: short stacking energy: -152.526
Base-Backbone interact. energy: -0.024
local terms energy: -149.012156
where:
bonds (distance) C4'-P energy: -20.401
bonds (distance) P-C4' energy: -37.100
flat angles C4'-P-C4' energy: -32.348
flat angles P-C4'-P energy: -18.654
tors. eta vs tors. theta energy: -40.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -438.736392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.736392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.736392 (E_RNA)
where:
Base-Base interactions energy: -310.296
where: short stacking energy: -131.384
Base-Backbone interact. energy: -0.077
local terms energy: -128.362829
where:
bonds (distance) C4'-P energy: -25.290
bonds (distance) P-C4' energy: -21.498
flat angles C4'-P-C4' energy: -32.473
flat angles P-C4'-P energy: -21.313
tors. eta vs tors. theta energy: -27.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -468.399810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.399810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.399810 (E_RNA)
where:
Base-Base interactions energy: -309.870
where: short stacking energy: -130.730
Base-Backbone interact. energy: -0.178
local terms energy: -158.351487
where:
bonds (distance) C4'-P energy: -28.648
bonds (distance) P-C4' energy: -34.830
flat angles C4'-P-C4' energy: -34.585
flat angles P-C4'-P energy: -22.964
tors. eta vs tors. theta energy: -37.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -387.076274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.076274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.076274 (E_RNA)
where:
Base-Base interactions energy: -247.010
where: short stacking energy: -130.739
Base-Backbone interact. energy: -0.947
local terms energy: -139.118683
where:
bonds (distance) C4'-P energy: -32.904
bonds (distance) P-C4' energy: -22.765
flat angles C4'-P-C4' energy: -35.387
flat angles P-C4'-P energy: -18.920
tors. eta vs tors. theta energy: -29.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -341.470451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.470451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.470451 (E_RNA)
where:
Base-Base interactions energy: -223.777
where: short stacking energy: -108.061
Base-Backbone interact. energy: -0.636
local terms energy: -117.057265
where:
bonds (distance) C4'-P energy: -27.513
bonds (distance) P-C4' energy: -25.979
flat angles C4'-P-C4' energy: -31.485
flat angles P-C4'-P energy: -18.805
tors. eta vs tors. theta energy: -13.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -175.593751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.593751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.593751 (E_RNA)
where:
Base-Base interactions energy: -62.774
where: short stacking energy: -44.770
Base-Backbone interact. energy: 2.651
local terms energy: -115.470740
where:
bonds (distance) C4'-P energy: -26.730
bonds (distance) P-C4' energy: -38.107
flat angles C4'-P-C4' energy: -27.479
flat angles P-C4'-P energy: -20.822
tors. eta vs tors. theta energy: -2.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -614.909199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.909199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.909199 (E_RNA)
where:
Base-Base interactions energy: -435.680
where: short stacking energy: -168.412
Base-Backbone interact. energy: -1.602
local terms energy: -177.627394
where:
bonds (distance) C4'-P energy: -31.375
bonds (distance) P-C4' energy: -36.542
flat angles C4'-P-C4' energy: -40.469
flat angles P-C4'-P energy: -25.991
tors. eta vs tors. theta energy: -43.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -597.367772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.367772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.367772 (E_RNA)
where:
Base-Base interactions energy: -419.161
where: short stacking energy: -173.932
Base-Backbone interact. energy: -2.332
local terms energy: -175.874435
where:
bonds (distance) C4'-P energy: -28.331
bonds (distance) P-C4' energy: -35.515
flat angles C4'-P-C4' energy: -36.552
flat angles P-C4'-P energy: -26.936
tors. eta vs tors. theta energy: -48.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -577.829467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.829467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.829467 (E_RNA)
where:
Base-Base interactions energy: -392.780
where: short stacking energy: -172.067
Base-Backbone interact. energy: -0.913
local terms energy: -184.136329
where:
bonds (distance) C4'-P energy: -36.803
bonds (distance) P-C4' energy: -32.245
flat angles C4'-P-C4' energy: -38.053
flat angles P-C4'-P energy: -28.434
tors. eta vs tors. theta energy: -48.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -579.994465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.994465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.994465 (E_RNA)
where:
Base-Base interactions energy: -392.056
where: short stacking energy: -170.453
Base-Backbone interact. energy: -0.166
local terms energy: -187.772055
where:
bonds (distance) C4'-P energy: -36.870
bonds (distance) P-C4' energy: -39.128
flat angles C4'-P-C4' energy: -34.357
flat angles P-C4'-P energy: -27.396
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: 5, replica: 7
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -521.809140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.809140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.809140 (E_RNA)
where:
Base-Base interactions energy: -356.381
where: short stacking energy: -146.148
Base-Backbone interact. energy: -1.193
local terms energy: -164.235441
where:
bonds (distance) C4'-P energy: -27.331
bonds (distance) P-C4' energy: -41.962
flat angles C4'-P-C4' energy: -34.430
flat angles P-C4'-P energy: -27.153
tors. eta vs tors. theta energy: -33.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -518.208141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.208141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.208141 (E_RNA)
where:
Base-Base interactions energy: -352.631
where: short stacking energy: -160.102
Base-Backbone interact. energy: -0.025
local terms energy: -165.551994
where:
bonds (distance) C4'-P energy: -32.155
bonds (distance) P-C4' energy: -32.088
flat angles C4'-P-C4' energy: -34.579
flat angles P-C4'-P energy: -23.572
tors. eta vs tors. theta energy: -43.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -488.295611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.295611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.295611 (E_RNA)
where:
Base-Base interactions energy: -350.715
where: short stacking energy: -150.951
Base-Backbone interact. energy: 0.107
local terms energy: -137.687536
where:
bonds (distance) C4'-P energy: -23.878
bonds (distance) P-C4' energy: -25.437
flat angles C4'-P-C4' energy: -27.880
flat angles P-C4'-P energy: -22.217
tors. eta vs tors. theta energy: -38.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -374.326133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.326133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.326133 (E_RNA)
where:
Base-Base interactions energy: -247.478
where: short stacking energy: -118.793
Base-Backbone interact. energy: -0.193
local terms energy: -126.654751
where:
bonds (distance) C4'-P energy: -23.484
bonds (distance) P-C4' energy: -28.349
flat angles C4'-P-C4' energy: -33.832
flat angles P-C4'-P energy: -18.388
tors. eta vs tors. theta energy: -22.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -337.197336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.197336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.197336 (E_RNA)
where:
Base-Base interactions energy: -217.649
where: short stacking energy: -94.506
Base-Backbone interact. energy: -1.489
local terms energy: -118.059236
where:
bonds (distance) C4'-P energy: -28.362
bonds (distance) P-C4' energy: -25.716
flat angles C4'-P-C4' energy: -33.840
flat angles P-C4'-P energy: -15.802
tors. eta vs tors. theta energy: -14.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -164.256127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.256127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.256127 (E_RNA)
where:
Base-Base interactions energy: -65.594
where: short stacking energy: -58.609
Base-Backbone interact. energy: 1.055
local terms energy: -99.717778
where:
bonds (distance) C4'-P energy: -30.867
bonds (distance) P-C4' energy: -28.249
flat angles C4'-P-C4' energy: -19.443
flat angles P-C4'-P energy: -19.670
tors. eta vs tors. theta energy: -1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -608.775129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.775129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.775129 (E_RNA)
where:
Base-Base interactions energy: -435.549
where: short stacking energy: -177.704
Base-Backbone interact. energy: -2.081
local terms energy: -171.145089
where:
bonds (distance) C4'-P energy: -32.591
bonds (distance) P-C4' energy: -29.828
flat angles C4'-P-C4' energy: -39.932
flat angles P-C4'-P energy: -20.982
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: 2, replica: 8
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -599.471269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.471269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.471269 (E_RNA)
where:
Base-Base interactions energy: -413.737
where: short stacking energy: -149.206
Base-Backbone interact. energy: -1.400
local terms energy: -184.334415
where:
bonds (distance) C4'-P energy: -33.471
bonds (distance) P-C4' energy: -35.757
flat angles C4'-P-C4' energy: -42.003
flat angles P-C4'-P energy: -28.050
tors. eta vs tors. theta energy: -45.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -572.375194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.375194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.375194 (E_RNA)
where:
Base-Base interactions energy: -403.976
where: short stacking energy: -167.464
Base-Backbone interact. energy: -0.510
local terms energy: -167.889163
where:
bonds (distance) C4'-P energy: -30.456
bonds (distance) P-C4' energy: -27.167
flat angles C4'-P-C4' energy: -40.628
flat angles P-C4'-P energy: -20.053
tors. eta vs tors. theta energy: -49.586
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: 9
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -586.620268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.620268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.620268 (E_RNA)
where:
Base-Base interactions energy: -415.341
where: short stacking energy: -195.672
Base-Backbone interact. energy: -0.092
local terms energy: -171.187821
where:
bonds (distance) C4'-P energy: -34.052
bonds (distance) P-C4' energy: -29.270
flat angles C4'-P-C4' energy: -34.333
flat angles P-C4'-P energy: -23.528
tors. eta vs tors. theta energy: -50.005
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: 5
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -540.964511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.964511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.964511 (E_RNA)
where:
Base-Base interactions energy: -373.557
where: short stacking energy: -171.889
Base-Backbone interact. energy: -0.017
local terms energy: -167.389821
where:
bonds (distance) C4'-P energy: -22.011
bonds (distance) P-C4' energy: -32.275
flat angles C4'-P-C4' energy: -37.033
flat angles P-C4'-P energy: -25.700
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: 6, replica: 7
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -475.582600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.582600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.582600 (E_RNA)
where:
Base-Base interactions energy: -318.717
where: short stacking energy: -152.747
Base-Backbone interact. energy: -0.105
local terms energy: -156.760662
where:
bonds (distance) C4'-P energy: -36.206
bonds (distance) P-C4' energy: -31.777
flat angles C4'-P-C4' energy: -37.246
flat angles P-C4'-P energy: -17.836
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: 7, replica: 6
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -494.365901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.365901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.365901 (E_RNA)
where:
Base-Base interactions energy: -339.724
where: short stacking energy: -134.193
Base-Backbone interact. energy: -0.440
local terms energy: -154.202379
where:
bonds (distance) C4'-P energy: -32.043
bonds (distance) P-C4' energy: -30.622
flat angles C4'-P-C4' energy: -33.724
flat angles P-C4'-P energy: -22.073
tors. eta vs tors. theta energy: -35.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -374.039087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.039087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.039087 (E_RNA)
where:
Base-Base interactions energy: -242.408
where: short stacking energy: -115.033
Base-Backbone interact. energy: -0.349
local terms energy: -131.282065
where:
bonds (distance) C4'-P energy: -30.495
bonds (distance) P-C4' energy: -34.078
flat angles C4'-P-C4' energy: -21.958
flat angles P-C4'-P energy: -15.862
tors. eta vs tors. theta energy: -28.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -349.830614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.830614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.830614 (E_RNA)
where:
Base-Base interactions energy: -214.002
where: short stacking energy: -107.696
Base-Backbone interact. energy: -0.431
local terms energy: -135.397302
where:
bonds (distance) C4'-P energy: -30.484
bonds (distance) P-C4' energy: -27.121
flat angles C4'-P-C4' energy: -34.032
flat angles P-C4'-P energy: -22.728
tors. eta vs tors. theta energy: -21.034
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: 3
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -185.553282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.553282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.553282 (E_RNA)
where:
Base-Base interactions energy: -90.040
where: short stacking energy: -49.086
Base-Backbone interact. energy: -0.381
local terms energy: -95.132281
where:
bonds (distance) C4'-P energy: -26.347
bonds (distance) P-C4' energy: -32.315
flat angles C4'-P-C4' energy: -25.392
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: 0.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -601.361317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.361317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.361317 (E_RNA)
where:
Base-Base interactions energy: -428.418
where: short stacking energy: -165.989
Base-Backbone interact. energy: -1.468
local terms energy: -171.475249
where:
bonds (distance) C4'-P energy: -30.823
bonds (distance) P-C4' energy: -32.691
flat angles C4'-P-C4' energy: -33.069
flat angles P-C4'-P energy: -29.132
tors. eta vs tors. theta energy: -45.760
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: 1
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -570.140764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.140764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.140764 (E_RNA)
where:
Base-Base interactions energy: -399.317
where: short stacking energy: -165.531
Base-Backbone interact. energy: -0.855
local terms energy: -169.968820
where:
bonds (distance) C4'-P energy: -27.472
bonds (distance) P-C4' energy: -35.385
flat angles C4'-P-C4' energy: -33.003
flat angles P-C4'-P energy: -28.568
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: 321
Temperature: 1.000000
Total energy: -586.957766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.957766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.957766 (E_RNA)
where:
Base-Base interactions energy: -421.707
where: short stacking energy: -180.176
Base-Backbone interact. energy: -1.602
local terms energy: -163.649359
where:
bonds (distance) C4'-P energy: -29.488
bonds (distance) P-C4' energy: -37.305
flat angles C4'-P-C4' energy: -33.616
flat angles P-C4'-P energy: -20.301
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: 4, replica: 9
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -577.323774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.323774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.323774 (E_RNA)
where:
Base-Base interactions energy: -395.314
where: short stacking energy: -180.342
Base-Backbone interact. energy: 0.404
local terms energy: -182.413414
where:
bonds (distance) C4'-P energy: -33.963
bonds (distance) P-C4' energy: -31.731
flat angles C4'-P-C4' energy: -33.404
flat angles P-C4'-P energy: -26.898
tors. eta vs tors. theta energy: -56.418
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: 5
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -520.440867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.440867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.440867 (E_RNA)
where:
Base-Base interactions energy: -358.605
where: short stacking energy: -163.228
Base-Backbone interact. energy: -0.255
local terms energy: -161.580042
where:
bonds (distance) C4'-P energy: -30.040
bonds (distance) P-C4' energy: -26.301
flat angles C4'-P-C4' energy: -35.859
flat angles P-C4'-P energy: -27.057
tors. eta vs tors. theta energy: -42.322
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: 6, replica: 7
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -512.509250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.509250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.509250 (E_RNA)
where:
Base-Base interactions energy: -359.861
where: short stacking energy: -150.818
Base-Backbone interact. energy: -1.955
local terms energy: -150.693674
where:
bonds (distance) C4'-P energy: -28.191
bonds (distance) P-C4' energy: -31.734
flat angles C4'-P-C4' energy: -29.036
flat angles P-C4'-P energy: -22.924
tors. eta vs tors. theta energy: -38.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -448.980841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.980841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.980841 (E_RNA)
where:
Base-Base interactions energy: -300.696
where: short stacking energy: -146.384
Base-Backbone interact. energy: 0.160
local terms energy: -148.444070
where:
bonds (distance) C4'-P energy: -31.408
bonds (distance) P-C4' energy: -17.437
flat angles C4'-P-C4' energy: -37.020
flat angles P-C4'-P energy: -23.240
tors. eta vs tors. theta energy: -39.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -371.287712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.287712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.287712 (E_RNA)
where:
Base-Base interactions energy: -249.163
where: short stacking energy: -108.748
Base-Backbone interact. energy: -0.318
local terms energy: -121.807091
where:
bonds (distance) C4'-P energy: -22.534
bonds (distance) P-C4' energy: -31.217
flat angles C4'-P-C4' energy: -22.708
flat angles P-C4'-P energy: -17.842
tors. eta vs tors. theta energy: -27.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -357.507601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.507601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.507601 (E_RNA)
where:
Base-Base interactions energy: -235.604
where: short stacking energy: -111.499
Base-Backbone interact. energy: 0.471
local terms energy: -122.373859
where:
bonds (distance) C4'-P energy: -27.849
bonds (distance) P-C4' energy: -27.828
flat angles C4'-P-C4' energy: -26.179
flat angles P-C4'-P energy: -23.909
tors. eta vs tors. theta energy: -16.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -168.364670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.364670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.364670 (E_RNA)
where:
Base-Base interactions energy: -48.231
where: short stacking energy: -48.240
Base-Backbone interact. energy: 0.020
local terms energy: -120.153697
where:
bonds (distance) C4'-P energy: -32.771
bonds (distance) P-C4' energy: -32.835
flat angles C4'-P-C4' energy: -34.691
flat angles P-C4'-P energy: -17.432
tors. eta vs tors. theta energy: -2.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -607.880538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.880538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.880538 (E_RNA)
where:
Base-Base interactions energy: -422.192
where: short stacking energy: -178.934
Base-Backbone interact. energy: -0.664
local terms energy: -185.024604
where:
bonds (distance) C4'-P energy: -33.784
bonds (distance) P-C4' energy: -35.023
flat angles C4'-P-C4' energy: -42.194
flat angles P-C4'-P energy: -27.160
tors. eta vs tors. theta energy: -46.863
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: 1
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -587.617244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.617244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.617244 (E_RNA)
where:
Base-Base interactions energy: -404.055
where: short stacking energy: -176.433
Base-Backbone interact. energy: 3.015
local terms energy: -186.577656
where:
bonds (distance) C4'-P energy: -32.138
bonds (distance) P-C4' energy: -41.199
flat angles C4'-P-C4' energy: -40.212
flat angles P-C4'-P energy: -25.764
tors. eta vs tors. theta energy: -47.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -580.725739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.725739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.725739 (E_RNA)
where:
Base-Base interactions energy: -406.560
where: short stacking energy: -164.131
Base-Backbone interact. energy: -1.200
local terms energy: -172.966228
where:
bonds (distance) C4'-P energy: -30.078
bonds (distance) P-C4' energy: -31.231
flat angles C4'-P-C4' energy: -39.848
flat angles P-C4'-P energy: -25.865
tors. eta vs tors. theta energy: -45.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -571.208788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.208788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.208788 (E_RNA)
where:
Base-Base interactions energy: -400.327
where: short stacking energy: -182.002
Base-Backbone interact. energy: -0.032
local terms energy: -170.848990
where:
bonds (distance) C4'-P energy: -26.239
bonds (distance) P-C4' energy: -28.022
flat angles C4'-P-C4' energy: -37.720
flat angles P-C4'-P energy: -27.363
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: 5, replica: 7
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -513.871182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.871182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.871182 (E_RNA)
where:
Base-Base interactions energy: -345.409
where: short stacking energy: -165.484
Base-Backbone interact. energy: -0.547
local terms energy: -167.915316
where:
bonds (distance) C4'-P energy: -26.769
bonds (distance) P-C4' energy: -34.214
flat angles C4'-P-C4' energy: -33.604
flat angles P-C4'-P energy: -30.518
tors. eta vs tors. theta energy: -42.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -502.885144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.885144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.885144 (E_RNA)
where:
Base-Base interactions energy: -347.669
where: short stacking energy: -165.278
Base-Backbone interact. energy: 0.778
local terms energy: -155.994421
where:
bonds (distance) C4'-P energy: -22.487
bonds (distance) P-C4' energy: -36.859
flat angles C4'-P-C4' energy: -31.460
flat angles P-C4'-P energy: -19.435
tors. eta vs tors. theta energy: -45.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -438.544995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.544995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.544995 (E_RNA)
where:
Base-Base interactions energy: -291.191
where: short stacking energy: -123.363
Base-Backbone interact. energy: -0.495
local terms energy: -146.858560
where:
bonds (distance) C4'-P energy: -34.217
bonds (distance) P-C4' energy: -31.649
flat angles C4'-P-C4' energy: -31.316
flat angles P-C4'-P energy: -18.011
tors. eta vs tors. theta energy: -31.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -385.165828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.165828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.165828 (E_RNA)
where:
Base-Base interactions energy: -245.858
where: short stacking energy: -118.368
Base-Backbone interact. energy: -0.317
local terms energy: -138.990971
where:
bonds (distance) C4'-P energy: -32.183
bonds (distance) P-C4' energy: -26.048
flat angles C4'-P-C4' energy: -35.567
flat angles P-C4'-P energy: -21.037
tors. eta vs tors. theta energy: -24.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -357.578488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.578488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.578488 (E_RNA)
where:
Base-Base interactions energy: -233.314
where: short stacking energy: -99.889
Base-Backbone interact. energy: -0.527
local terms energy: -123.737509
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -37.971
flat angles C4'-P-C4' energy: -27.698
flat angles P-C4'-P energy: -20.125
tors. eta vs tors. theta energy: -22.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -159.726149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.726149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.726149 (E_RNA)
where:
Base-Base interactions energy: -54.955
where: short stacking energy: -51.804
Base-Backbone interact. energy: 0.768
local terms energy: -105.539090
where:
bonds (distance) C4'-P energy: -34.878
bonds (distance) P-C4' energy: -25.499
flat angles C4'-P-C4' energy: -27.480
flat angles P-C4'-P energy: -21.843
tors. eta vs tors. theta energy: 4.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -612.315429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.315429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.315429 (E_RNA)
where:
Base-Base interactions energy: -432.533
where: short stacking energy: -174.022
Base-Backbone interact. energy: -1.624
local terms energy: -178.158204
where:
bonds (distance) C4'-P energy: -33.678
bonds (distance) P-C4' energy: -39.299
flat angles C4'-P-C4' energy: -38.389
flat angles P-C4'-P energy: -25.215
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: 2, replica: 1
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -589.169982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.169982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.169982 (E_RNA)
where:
Base-Base interactions energy: -418.001
where: short stacking energy: -177.713
Base-Backbone interact. energy: -2.329
local terms energy: -168.839963
where:
bonds (distance) C4'-P energy: -25.793
bonds (distance) P-C4' energy: -34.902
flat angles C4'-P-C4' energy: -38.576
flat angles P-C4'-P energy: -27.467
tors. eta vs tors. theta energy: -42.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -593.467699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.467699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.467699 (E_RNA)
where:
Base-Base interactions energy: -420.229
where: short stacking energy: -160.919
Base-Backbone interact. energy: -1.190
local terms energy: -172.048930
where:
bonds (distance) C4'-P energy: -32.818
bonds (distance) P-C4' energy: -30.731
flat angles C4'-P-C4' energy: -38.426
flat angles P-C4'-P energy: -26.154
tors. eta vs tors. theta energy: -43.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -567.344540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.344540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.344540 (E_RNA)
where:
Base-Base interactions energy: -388.255
where: short stacking energy: -187.466
Base-Backbone interact. energy: 0.196
local terms energy: -179.284880
where:
bonds (distance) C4'-P energy: -25.646
bonds (distance) P-C4' energy: -31.717
flat angles C4'-P-C4' energy: -41.256
flat angles P-C4'-P energy: -25.967
tors. eta vs tors. theta energy: -54.698
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: 5, replica: 7
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -517.014767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.014767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.014767 (E_RNA)
where:
Base-Base interactions energy: -352.476
where: short stacking energy: -153.007
Base-Backbone interact. energy: -0.220
local terms energy: -164.318804
where:
bonds (distance) C4'-P energy: -33.173
bonds (distance) P-C4' energy: -35.115
flat angles C4'-P-C4' energy: -30.669
flat angles P-C4'-P energy: -28.268
tors. eta vs tors. theta energy: -37.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -502.285175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.285175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.285175 (E_RNA)
where:
Base-Base interactions energy: -346.364
where: short stacking energy: -148.676
Base-Backbone interact. energy: -0.312
local terms energy: -155.609417
where:
bonds (distance) C4'-P energy: -30.606
bonds (distance) P-C4' energy: -31.091
flat angles C4'-P-C4' energy: -32.522
flat angles P-C4'-P energy: -23.834
tors. eta vs tors. theta energy: -37.556
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: 6
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -466.635697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.635697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.635697 (E_RNA)
where:
Base-Base interactions energy: -316.460
where: short stacking energy: -133.239
Base-Backbone interact. energy: -0.109
local terms energy: -150.067177
where:
bonds (distance) C4'-P energy: -35.362
bonds (distance) P-C4' energy: -25.240
flat angles C4'-P-C4' energy: -34.788
flat angles P-C4'-P energy: -17.350
tors. eta vs tors. theta energy: -37.327
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: 323
Temperature: 1.250000
Total energy: -382.719467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.719467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.719467 (E_RNA)
where:
Base-Base interactions energy: -238.129
where: short stacking energy: -112.055
Base-Backbone interact. energy: -0.391
local terms energy: -144.199199
where:
bonds (distance) C4'-P energy: -35.471
bonds (distance) P-C4' energy: -28.788
flat angles C4'-P-C4' energy: -37.433
flat angles P-C4'-P energy: -20.339
tors. eta vs tors. theta energy: -22.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -326.319586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.319586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.319586 (E_RNA)
where:
Base-Base interactions energy: -197.019
where: short stacking energy: -87.653
Base-Backbone interact. energy: -0.233
local terms energy: -129.068417
where:
bonds (distance) C4'-P energy: -27.332
bonds (distance) P-C4' energy: -29.397
flat angles C4'-P-C4' energy: -25.324
flat angles P-C4'-P energy: -29.864
tors. eta vs tors. theta energy: -17.152
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: 3
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -185.344549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.344549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.344549 (E_RNA)
where:
Base-Base interactions energy: -96.468
where: short stacking energy: -53.001
Base-Backbone interact. energy: 0.410
local terms energy: -89.286660
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -31.380
flat angles C4'-P-C4' energy: -20.476
flat angles P-C4'-P energy: -15.145
tors. eta vs tors. theta energy: -5.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -610.932179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.932179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.932179 (E_RNA)
where:
Base-Base interactions energy: -428.851
where: short stacking energy: -165.545
Base-Backbone interact. energy: -1.528
local terms energy: -180.553644
where:
bonds (distance) C4'-P energy: -30.703
bonds (distance) P-C4' energy: -36.564
flat angles C4'-P-C4' energy: -38.146
flat angles P-C4'-P energy: -26.557
tors. eta vs tors. theta energy: -48.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -583.894024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.894024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.894024 (E_RNA)
where:
Base-Base interactions energy: -413.587
where: short stacking energy: -165.630
Base-Backbone interact. energy: 0.409
local terms energy: -170.715803
where:
bonds (distance) C4'-P energy: -30.502
bonds (distance) P-C4' energy: -41.665
flat angles C4'-P-C4' energy: -23.361
flat angles P-C4'-P energy: -28.888
tors. eta vs tors. theta energy: -46.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -591.684747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.684747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.684747 (E_RNA)
where:
Base-Base interactions energy: -414.772
where: short stacking energy: -179.053
Base-Backbone interact. energy: -0.082
local terms energy: -176.830643
where:
bonds (distance) C4'-P energy: -30.639
bonds (distance) P-C4' energy: -30.803
flat angles C4'-P-C4' energy: -37.520
flat angles P-C4'-P energy: -28.879
tors. eta vs tors. theta energy: -48.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -550.672950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.672950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.672950 (E_RNA)
where:
Base-Base interactions energy: -390.482
where: short stacking energy: -161.545
Base-Backbone interact. energy: -1.101
local terms energy: -159.089931
where:
bonds (distance) C4'-P energy: -30.639
bonds (distance) P-C4' energy: -30.198
flat angles C4'-P-C4' energy: -37.576
flat angles P-C4'-P energy: -14.662
tors. eta vs tors. theta energy: -46.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -525.646754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.646754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.646754 (E_RNA)
where:
Base-Base interactions energy: -357.288
where: short stacking energy: -154.764
Base-Backbone interact. energy: -0.743
local terms energy: -167.616269
where:
bonds (distance) C4'-P energy: -34.806
bonds (distance) P-C4' energy: -33.128
flat angles C4'-P-C4' energy: -34.044
flat angles P-C4'-P energy: -22.440
tors. eta vs tors. theta energy: -43.198
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: 7
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -509.106522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.106522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.106522 (E_RNA)
where:
Base-Base interactions energy: -343.478
where: short stacking energy: -147.799
Base-Backbone interact. energy: -0.251
local terms energy: -165.377788
where:
bonds (distance) C4'-P energy: -30.441
bonds (distance) P-C4' energy: -36.103
flat angles C4'-P-C4' energy: -37.161
flat angles P-C4'-P energy: -20.634
tors. eta vs tors. theta energy: -41.039
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: 7, replica: 6
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -480.294145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.294145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.294145 (E_RNA)
where:
Base-Base interactions energy: -323.845
where: short stacking energy: -139.666
Base-Backbone interact. energy: -0.533
local terms energy: -155.915956
where:
bonds (distance) C4'-P energy: -32.670
bonds (distance) P-C4' energy: -29.054
flat angles C4'-P-C4' energy: -31.382
flat angles P-C4'-P energy: -23.801
tors. eta vs tors. theta energy: -39.009
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: 10
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -373.980903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.980903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.980903 (E_RNA)
where:
Base-Base interactions energy: -243.128
where: short stacking energy: -128.714
Base-Backbone interact. energy: 5.386
local terms energy: -136.238917
where:
bonds (distance) C4'-P energy: -24.205
bonds (distance) P-C4' energy: -34.085
flat angles C4'-P-C4' energy: -26.714
flat angles P-C4'-P energy: -21.834
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: 4
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -317.013748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.013748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.013748 (E_RNA)
where:
Base-Base interactions energy: -195.793
where: short stacking energy: -82.203
Base-Backbone interact. energy: -0.155
local terms energy: -121.065661
where:
bonds (distance) C4'-P energy: -22.246
bonds (distance) P-C4' energy: -24.681
flat angles C4'-P-C4' energy: -36.722
flat angles P-C4'-P energy: -23.351
tors. eta vs tors. theta energy: -14.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -216.430169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.430169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.430169 (E_RNA)
where:
Base-Base interactions energy: -118.544
where: short stacking energy: -64.585
Base-Backbone interact. energy: -0.020
local terms energy: -97.866470
where:
bonds (distance) C4'-P energy: -33.179
bonds (distance) P-C4' energy: -34.518
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -15.103
tors. eta vs tors. theta energy: -2.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -612.407232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.407232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.407232 (E_RNA)
where:
Base-Base interactions energy: -425.559
where: short stacking energy: -177.246
Base-Backbone interact. energy: -1.014
local terms energy: -185.834612
where:
bonds (distance) C4'-P energy: -34.455
bonds (distance) P-C4' energy: -37.644
flat angles C4'-P-C4' energy: -38.390
flat angles P-C4'-P energy: -27.261
tors. eta vs tors. theta energy: -48.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -594.229517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.229517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.229517 (E_RNA)
where:
Base-Base interactions energy: -409.049
where: short stacking energy: -169.723
Base-Backbone interact. energy: -1.356
local terms energy: -183.824173
where:
bonds (distance) C4'-P energy: -36.141
bonds (distance) P-C4' energy: -39.152
flat angles C4'-P-C4' energy: -34.827
flat angles P-C4'-P energy: -26.625
tors. eta vs tors. theta energy: -47.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -566.035326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.035326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.035326 (E_RNA)
where:
Base-Base interactions energy: -399.804
where: short stacking energy: -173.069
Base-Backbone interact. energy: -0.404
local terms energy: -165.828088
where:
bonds (distance) C4'-P energy: -26.542
bonds (distance) P-C4' energy: -27.227
flat angles C4'-P-C4' energy: -37.455
flat angles P-C4'-P energy: -26.455
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: 4, replica: 8
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -543.976249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.976249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.976249 (E_RNA)
where:
Base-Base interactions energy: -383.189
where: short stacking energy: -151.950
Base-Backbone interact. energy: -0.732
local terms energy: -160.055821
where:
bonds (distance) C4'-P energy: -31.553
bonds (distance) P-C4' energy: -35.003
flat angles C4'-P-C4' energy: -34.440
flat angles P-C4'-P energy: -24.909
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: 5, replica: 5
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -498.448833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.448833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.448833 (E_RNA)
where:
Base-Base interactions energy: -337.556
where: short stacking energy: -146.863
Base-Backbone interact. energy: 0.202
local terms energy: -161.094762
where:
bonds (distance) C4'-P energy: -36.024
bonds (distance) P-C4' energy: -34.553
flat angles C4'-P-C4' energy: -37.086
flat angles P-C4'-P energy: -21.045
tors. eta vs tors. theta energy: -32.387
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: 6
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -491.827645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.827645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.827645 (E_RNA)
where:
Base-Base interactions energy: -344.135
where: short stacking energy: -148.049
Base-Backbone interact. energy: -0.794
local terms energy: -146.898935
where:
bonds (distance) C4'-P energy: -23.210
bonds (distance) P-C4' energy: -35.812
flat angles C4'-P-C4' energy: -27.895
flat angles P-C4'-P energy: -25.721
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: 7, replica: 7
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -503.106767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.106767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.106767 (E_RNA)
where:
Base-Base interactions energy: -345.034
where: short stacking energy: -152.959
Base-Backbone interact. energy: 1.941
local terms energy: -160.013799
where:
bonds (distance) C4'-P energy: -37.777
bonds (distance) P-C4' energy: -35.882
flat angles C4'-P-C4' energy: -30.408
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -43.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -372.097436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.097436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.097436 (E_RNA)
where:
Base-Base interactions energy: -215.380
where: short stacking energy: -98.327
Base-Backbone interact. energy: 0.078
local terms energy: -156.796012
where:
bonds (distance) C4'-P energy: -31.073
bonds (distance) P-C4' energy: -32.886
flat angles C4'-P-C4' energy: -37.508
flat angles P-C4'-P energy: -22.184
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: 9, replica: 4
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -318.289020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.289020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.289020 (E_RNA)
where:
Base-Base interactions energy: -197.614
where: short stacking energy: -100.775
Base-Backbone interact. energy: -0.383
local terms energy: -120.292965
where:
bonds (distance) C4'-P energy: -19.741
bonds (distance) P-C4' energy: -26.789
flat angles C4'-P-C4' energy: -36.783
flat angles P-C4'-P energy: -23.216
tors. eta vs tors. theta energy: -13.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -234.228323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.228323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.228323 (E_RNA)
where:
Base-Base interactions energy: -133.838
where: short stacking energy: -61.650
Base-Backbone interact. energy: 0.708
local terms energy: -101.098685
where:
bonds (distance) C4'-P energy: -25.508
bonds (distance) P-C4' energy: -29.344
flat angles C4'-P-C4' energy: -22.217
flat angles P-C4'-P energy: -19.185
tors. eta vs tors. theta energy: -4.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -620.536771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.536771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.536771 (E_RNA)
where:
Base-Base interactions energy: -442.531
where: short stacking energy: -179.566
Base-Backbone interact. energy: -1.246
local terms energy: -176.760060
where:
bonds (distance) C4'-P energy: -33.091
bonds (distance) P-C4' energy: -35.689
flat angles C4'-P-C4' energy: -37.309
flat angles P-C4'-P energy: -23.935
tors. eta vs tors. theta energy: -46.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -597.589324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.589324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.589324 (E_RNA)
where:
Base-Base interactions energy: -420.471
where: short stacking energy: -181.975
Base-Backbone interact. energy: -0.799
local terms energy: -176.319569
where:
bonds (distance) C4'-P energy: -27.605
bonds (distance) P-C4' energy: -28.671
flat angles C4'-P-C4' energy: -36.916
flat angles P-C4'-P energy: -30.101
tors. eta vs tors. theta energy: -53.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -578.665775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.665775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.665775 (E_RNA)
where:
Base-Base interactions energy: -406.617
where: short stacking energy: -164.725
Base-Backbone interact. energy: -1.281
local terms energy: -170.767525
where:
bonds (distance) C4'-P energy: -31.011
bonds (distance) P-C4' energy: -33.146
flat angles C4'-P-C4' energy: -31.162
flat angles P-C4'-P energy: -27.761
tors. eta vs tors. theta energy: -47.687
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: 8
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -547.952450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.952450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.952450 (E_RNA)
where:
Base-Base interactions energy: -386.723
where: short stacking energy: -157.301
Base-Backbone interact. energy: -1.638
local terms energy: -159.591459
where:
bonds (distance) C4'-P energy: -29.123
bonds (distance) P-C4' energy: -23.710
flat angles C4'-P-C4' energy: -41.653
flat angles P-C4'-P energy: -26.508
tors. eta vs tors. theta energy: -38.597
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: 5, replica: 5
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -490.610726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.610726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.610726 (E_RNA)
where:
Base-Base interactions energy: -330.881
where: short stacking energy: -150.745
Base-Backbone interact. energy: -0.757
local terms energy: -158.973695
where:
bonds (distance) C4'-P energy: -32.608
bonds (distance) P-C4' energy: -31.657
flat angles C4'-P-C4' energy: -35.291
flat angles P-C4'-P energy: -19.123
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: 6, replica: 6
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -499.271986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.271986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.271986 (E_RNA)
where:
Base-Base interactions energy: -350.625
where: short stacking energy: -146.272
Base-Backbone interact. energy: -0.260
local terms energy: -148.386934
where:
bonds (distance) C4'-P energy: -35.552
bonds (distance) P-C4' energy: -27.100
flat angles C4'-P-C4' energy: -28.749
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -43.557
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: 7
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -485.708547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.708547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.708547 (E_RNA)
where:
Base-Base interactions energy: -334.304
where: short stacking energy: -141.946
Base-Backbone interact. energy: -1.067
local terms energy: -150.337998
where:
bonds (distance) C4'-P energy: -24.229
bonds (distance) P-C4' energy: -28.837
flat angles C4'-P-C4' energy: -33.195
flat angles P-C4'-P energy: -22.887
tors. eta vs tors. theta energy: -41.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -389.593591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.593591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.593591 (E_RNA)
where:
Base-Base interactions energy: -249.908
where: short stacking energy: -111.660
Base-Backbone interact. energy: -0.185
local terms energy: -139.500735
where:
bonds (distance) C4'-P energy: -28.609
bonds (distance) P-C4' energy: -30.771
flat angles C4'-P-C4' energy: -29.821
flat angles P-C4'-P energy: -19.984
tors. eta vs tors. theta energy: -30.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -362.431970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.431970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.431970 (E_RNA)
where:
Base-Base interactions energy: -232.374
where: short stacking energy: -112.660
Base-Backbone interact. energy: -0.399
local terms energy: -129.659428
where:
bonds (distance) C4'-P energy: -27.950
bonds (distance) P-C4' energy: -30.205
flat angles C4'-P-C4' energy: -32.220
flat angles P-C4'-P energy: -18.178
tors. eta vs tors. theta energy: -21.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -227.914767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.914767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.914767 (E_RNA)
where:
Base-Base interactions energy: -139.338
where: short stacking energy: -74.496
Base-Backbone interact. energy: -0.756
local terms energy: -87.821181
where:
bonds (distance) C4'-P energy: -24.810
bonds (distance) P-C4' energy: -26.634
flat angles C4'-P-C4' energy: -20.171
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -4.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -596.948911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.948911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.948911 (E_RNA)
where:
Base-Base interactions energy: -424.895
where: short stacking energy: -165.971
Base-Backbone interact. energy: 0.178
local terms energy: -172.231517
where:
bonds (distance) C4'-P energy: -33.472
bonds (distance) P-C4' energy: -38.069
flat angles C4'-P-C4' energy: -37.815
flat angles P-C4'-P energy: -19.798
tors. eta vs tors. theta energy: -43.077
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: 9
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -593.431077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.431077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.431077 (E_RNA)
where:
Base-Base interactions energy: -415.322
where: short stacking energy: -184.513
Base-Backbone interact. energy: -0.384
local terms energy: -177.725498
where:
bonds (distance) C4'-P energy: -25.285
bonds (distance) P-C4' energy: -34.238
flat angles C4'-P-C4' energy: -39.407
flat angles P-C4'-P energy: -25.654
tors. eta vs tors. theta energy: -53.142
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: 1
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -550.217649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.217649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.217649 (E_RNA)
where:
Base-Base interactions energy: -384.575
where: short stacking energy: -150.669
Base-Backbone interact. energy: -0.805
local terms energy: -164.837361
where:
bonds (distance) C4'-P energy: -27.677
bonds (distance) P-C4' energy: -30.971
flat angles C4'-P-C4' energy: -34.931
flat angles P-C4'-P energy: -29.185
tors. eta vs tors. theta energy: -42.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -575.900741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.900741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.900741 (E_RNA)
where:
Base-Base interactions energy: -410.335
where: short stacking energy: -152.830
Base-Backbone interact. energy: -0.745
local terms energy: -164.820144
where:
bonds (distance) C4'-P energy: -41.936
bonds (distance) P-C4' energy: -29.106
flat angles C4'-P-C4' energy: -33.950
flat angles P-C4'-P energy: -19.201
tors. eta vs tors. theta energy: -40.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -507.425895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.425895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.425895 (E_RNA)
where:
Base-Base interactions energy: -341.490
where: short stacking energy: -157.689
Base-Backbone interact. energy: 1.181
local terms energy: -167.116771
where:
bonds (distance) C4'-P energy: -31.103
bonds (distance) P-C4' energy: -30.302
flat angles C4'-P-C4' energy: -36.349
flat angles P-C4'-P energy: -24.985
tors. eta vs tors. theta energy: -44.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -513.994901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.994901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.994901 (E_RNA)
where:
Base-Base interactions energy: -361.410
where: short stacking energy: -148.592
Base-Backbone interact. energy: -0.066
local terms energy: -152.518305
where:
bonds (distance) C4'-P energy: -31.194
bonds (distance) P-C4' energy: -22.944
flat angles C4'-P-C4' energy: -35.027
flat angles P-C4'-P energy: -22.402
tors. eta vs tors. theta energy: -40.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -449.890372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.890372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.890372 (E_RNA)
where:
Base-Base interactions energy: -318.299
where: short stacking energy: -131.138
Base-Backbone interact. energy: -0.556
local terms energy: -131.034929
where:
bonds (distance) C4'-P energy: -24.652
bonds (distance) P-C4' energy: -22.698
flat angles C4'-P-C4' energy: -32.147
flat angles P-C4'-P energy: -24.081
tors. eta vs tors. theta energy: -27.458
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: 10
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -370.051310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.051310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.051310 (E_RNA)
where:
Base-Base interactions energy: -229.692
where: short stacking energy: -131.788
Base-Backbone interact. energy: -0.371
local terms energy: -139.988184
where:
bonds (distance) C4'-P energy: -24.181
bonds (distance) P-C4' energy: -37.749
flat angles C4'-P-C4' energy: -31.520
flat angles P-C4'-P energy: -19.350
tors. eta vs tors. theta energy: -27.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -322.518059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.518059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.518059 (E_RNA)
where:
Base-Base interactions energy: -204.051
where: short stacking energy: -91.221
Base-Backbone interact. energy: 2.669
local terms energy: -121.136248
where:
bonds (distance) C4'-P energy: -29.677
bonds (distance) P-C4' energy: -29.980
flat angles C4'-P-C4' energy: -34.365
flat angles P-C4'-P energy: -14.147
tors. eta vs tors. theta energy: -12.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -161.545214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.545214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.545214 (E_RNA)
where:
Base-Base interactions energy: -72.700
where: short stacking energy: -44.845
Base-Backbone interact. energy: -1.261
local terms energy: -87.584804
where:
bonds (distance) C4'-P energy: -31.982
bonds (distance) P-C4' energy: -28.237
flat angles C4'-P-C4' energy: -24.610
flat angles P-C4'-P energy: -5.579
tors. eta vs tors. theta energy: 2.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -610.438124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.438124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.438124 (E_RNA)
where:
Base-Base interactions energy: -419.410
where: short stacking energy: -191.881
Base-Backbone interact. energy: -0.024
local terms energy: -191.003791
where:
bonds (distance) C4'-P energy: -27.480
bonds (distance) P-C4' energy: -42.147
flat angles C4'-P-C4' energy: -40.288
flat angles P-C4'-P energy: -29.369
tors. eta vs tors. theta energy: -51.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -589.181288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.181288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.181288 (E_RNA)
where:
Base-Base interactions energy: -404.061
where: short stacking energy: -181.349
Base-Backbone interact. energy: -0.987
local terms energy: -184.134189
where:
bonds (distance) C4'-P energy: -34.067
bonds (distance) P-C4' energy: -34.140
flat angles C4'-P-C4' energy: -40.658
flat angles P-C4'-P energy: -27.400
tors. eta vs tors. theta energy: -47.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -582.590008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.590008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.590008 (E_RNA)
where:
Base-Base interactions energy: -414.586
where: short stacking energy: -155.016
Base-Backbone interact. energy: -0.804
local terms energy: -167.200044
where:
bonds (distance) C4'-P energy: -32.105
bonds (distance) P-C4' energy: -31.455
flat angles C4'-P-C4' energy: -35.380
flat angles P-C4'-P energy: -27.043
tors. eta vs tors. theta energy: -41.216
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: 1
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -564.306153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.306153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.306153 (E_RNA)
where:
Base-Base interactions energy: -389.169
where: short stacking energy: -159.735
Base-Backbone interact. energy: -0.743
local terms energy: -174.393893
where:
bonds (distance) C4'-P energy: -33.956
bonds (distance) P-C4' energy: -33.803
flat angles C4'-P-C4' energy: -39.650
flat angles P-C4'-P energy: -22.631
tors. eta vs tors. theta energy: -44.354
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: 5, replica: 6
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -539.351470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.351470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.351470 (E_RNA)
where:
Base-Base interactions energy: -370.959
where: short stacking energy: -148.904
Base-Backbone interact. energy: -0.138
local terms energy: -168.254572
where:
bonds (distance) C4'-P energy: -28.401
bonds (distance) P-C4' energy: -27.602
flat angles C4'-P-C4' energy: -41.533
flat angles P-C4'-P energy: -25.689
tors. eta vs tors. theta energy: -45.029
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: 6, replica: 5
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -471.004123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.004123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.004123 (E_RNA)
where:
Base-Base interactions energy: -331.172
where: short stacking energy: -147.462
Base-Backbone interact. energy: -0.200
local terms energy: -139.631892
where:
bonds (distance) C4'-P energy: -22.957
bonds (distance) P-C4' energy: -24.713
flat angles C4'-P-C4' energy: -31.725
flat angles P-C4'-P energy: -22.794
tors. eta vs tors. theta energy: -37.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -474.660139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.660139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.660139 (E_RNA)
where:
Base-Base interactions energy: -321.957
where: short stacking energy: -152.635
Base-Backbone interact. energy: -0.291
local terms energy: -152.412923
where:
bonds (distance) C4'-P energy: -30.584
bonds (distance) P-C4' energy: -34.551
flat angles C4'-P-C4' energy: -30.581
flat angles P-C4'-P energy: -14.613
tors. eta vs tors. theta energy: -42.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -362.042955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.042955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.042955 (E_RNA)
where:
Base-Base interactions energy: -232.795
where: short stacking energy: -102.458
Base-Backbone interact. energy: -0.572
local terms energy: -128.675977
where:
bonds (distance) C4'-P energy: -29.047
bonds (distance) P-C4' energy: -34.184
flat angles C4'-P-C4' energy: -27.371
flat angles P-C4'-P energy: -13.153
tors. eta vs tors. theta energy: -24.921
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: 4
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -335.312900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.312900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.312900 (E_RNA)
where:
Base-Base interactions energy: -208.730
where: short stacking energy: -85.062
Base-Backbone interact. energy: 0.325
local terms energy: -126.908643
where:
bonds (distance) C4'-P energy: -26.983
bonds (distance) P-C4' energy: -25.863
flat angles C4'-P-C4' energy: -27.570
flat angles P-C4'-P energy: -25.903
tors. eta vs tors. theta energy: -20.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -185.736289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.736289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.736289 (E_RNA)
where:
Base-Base interactions energy: -87.359
where: short stacking energy: -55.068
Base-Backbone interact. energy: -0.465
local terms energy: -97.912854
where:
bonds (distance) C4'-P energy: -23.956
bonds (distance) P-C4' energy: -32.017
flat angles C4'-P-C4' energy: -27.839
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -1.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -604.856105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.856105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.856105 (E_RNA)
where:
Base-Base interactions energy: -412.474
where: short stacking energy: -194.226
Base-Backbone interact. energy: -0.148
local terms energy: -192.234109
where:
bonds (distance) C4'-P energy: -37.176
bonds (distance) P-C4' energy: -32.223
flat angles C4'-P-C4' energy: -39.122
flat angles P-C4'-P energy: -29.821
tors. eta vs tors. theta energy: -53.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -598.032297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.032297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.032297 (E_RNA)
where:
Base-Base interactions energy: -417.594
where: short stacking energy: -175.692
Base-Backbone interact. energy: -1.417
local terms energy: -179.021278
where:
bonds (distance) C4'-P energy: -32.336
bonds (distance) P-C4' energy: -34.369
flat angles C4'-P-C4' energy: -40.293
flat angles P-C4'-P energy: -23.450
tors. eta vs tors. theta energy: -48.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -579.907066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.907066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.907066 (E_RNA)
where:
Base-Base interactions energy: -401.771
where: short stacking energy: -176.929
Base-Backbone interact. energy: -1.336
local terms energy: -176.800377
where:
bonds (distance) C4'-P energy: -38.028
bonds (distance) P-C4' energy: -33.136
flat angles C4'-P-C4' energy: -30.277
flat angles P-C4'-P energy: -28.082
tors. eta vs tors. theta energy: -47.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -534.935568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.935568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.935568 (E_RNA)
where:
Base-Base interactions energy: -364.505
where: short stacking energy: -157.259
Base-Backbone interact. energy: -0.295
local terms energy: -170.136383
where:
bonds (distance) C4'-P energy: -30.530
bonds (distance) P-C4' energy: -35.374
flat angles C4'-P-C4' energy: -38.676
flat angles P-C4'-P energy: -20.047
tors. eta vs tors. theta energy: -45.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -547.315248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.315248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.315248 (E_RNA)
where:
Base-Base interactions energy: -381.241
where: short stacking energy: -150.463
Base-Backbone interact. energy: -1.964
local terms energy: -164.110685
where:
bonds (distance) C4'-P energy: -31.678
bonds (distance) P-C4' energy: -31.983
flat angles C4'-P-C4' energy: -36.556
flat angles P-C4'-P energy: -18.519
tors. eta vs tors. theta energy: -45.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -480.731005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.731005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.731005 (E_RNA)
where:
Base-Base interactions energy: -318.818
where: short stacking energy: -143.456
Base-Backbone interact. energy: -0.761
local terms energy: -161.151494
where:
bonds (distance) C4'-P energy: -27.707
bonds (distance) P-C4' energy: -27.472
flat angles C4'-P-C4' energy: -33.977
flat angles P-C4'-P energy: -32.679
tors. eta vs tors. theta energy: -39.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -459.216309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.216309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.216309 (E_RNA)
where:
Base-Base interactions energy: -306.249
where: short stacking energy: -134.556
Base-Backbone interact. energy: 1.060
local terms energy: -154.027476
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -32.153
flat angles C4'-P-C4' energy: -40.882
flat angles P-C4'-P energy: -24.528
tors. eta vs tors. theta energy: -39.378
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: 329
Temperature: 1.250000
Total energy: -340.222213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.222213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.222213 (E_RNA)
where:
Base-Base interactions energy: -215.346
where: short stacking energy: -91.196
Base-Backbone interact. energy: -1.006
local terms energy: -123.869847
where:
bonds (distance) C4'-P energy: -28.393
bonds (distance) P-C4' energy: -26.474
flat angles C4'-P-C4' energy: -37.236
flat angles P-C4'-P energy: -17.868
tors. eta vs tors. theta energy: -13.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -305.844117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.844117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.844117 (E_RNA)
where:
Base-Base interactions energy: -191.660
where: short stacking energy: -95.266
Base-Backbone interact. energy: -0.116
local terms energy: -114.067445
where:
bonds (distance) C4'-P energy: -26.327
bonds (distance) P-C4' energy: -24.260
flat angles C4'-P-C4' energy: -27.976
flat angles P-C4'-P energy: -19.234
tors. eta vs tors. theta energy: -16.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -158.991505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.991505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.991505 (E_RNA)
where:
Base-Base interactions energy: -61.372
where: short stacking energy: -54.574
Base-Backbone interact. energy: 0.671
local terms energy: -98.290708
where:
bonds (distance) C4'-P energy: -32.137
bonds (distance) P-C4' energy: -22.277
flat angles C4'-P-C4' energy: -26.698
flat angles P-C4'-P energy: -14.177
tors. eta vs tors. theta energy: -3.001
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: 9
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -604.682817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.682817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.682817 (E_RNA)
where:
Base-Base interactions energy: -419.306
where: short stacking energy: -189.249
Base-Backbone interact. energy: -0.288
local terms energy: -185.088513
where:
bonds (distance) C4'-P energy: -33.201
bonds (distance) P-C4' energy: -33.772
flat angles C4'-P-C4' energy: -35.480
flat angles P-C4'-P energy: -25.944
tors. eta vs tors. theta energy: -56.691
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: 2
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -591.821298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.821298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.821298 (E_RNA)
where:
Base-Base interactions energy: -415.901
where: short stacking energy: -173.540
Base-Backbone interact. energy: -0.069
local terms energy: -175.852184
where:
bonds (distance) C4'-P energy: -33.998
bonds (distance) P-C4' energy: -26.441
flat angles C4'-P-C4' energy: -38.472
flat angles P-C4'-P energy: -28.780
tors. eta vs tors. theta energy: -48.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -578.520020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.520020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.520020 (E_RNA)
where:
Base-Base interactions energy: -425.730
where: short stacking energy: -156.086
Base-Backbone interact. energy: 1.146
local terms energy: -153.935714
where:
bonds (distance) C4'-P energy: -33.759
bonds (distance) P-C4' energy: -26.921
flat angles C4'-P-C4' energy: -31.331
flat angles P-C4'-P energy: -23.260
tors. eta vs tors. theta energy: -38.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -554.038867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.038867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.038867 (E_RNA)
where:
Base-Base interactions energy: -379.443
where: short stacking energy: -169.895
Base-Backbone interact. energy: -0.051
local terms energy: -174.544712
where:
bonds (distance) C4'-P energy: -30.970
bonds (distance) P-C4' energy: -30.976
flat angles C4'-P-C4' energy: -35.229
flat angles P-C4'-P energy: -29.047
tors. eta vs tors. theta energy: -48.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -522.411514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.411514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.411514 (E_RNA)
where:
Base-Base interactions energy: -369.742
where: short stacking energy: -146.055
Base-Backbone interact. energy: -0.436
local terms energy: -152.233953
where:
bonds (distance) C4'-P energy: -29.793
bonds (distance) P-C4' energy: -30.683
flat angles C4'-P-C4' energy: -34.189
flat angles P-C4'-P energy: -22.497
tors. eta vs tors. theta energy: -35.071
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: 6, replica: 5
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -487.463341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.463341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.463341 (E_RNA)
where:
Base-Base interactions energy: -349.837
where: short stacking energy: -148.278
Base-Backbone interact. energy: -0.214
local terms energy: -137.412176
where:
bonds (distance) C4'-P energy: -18.978
bonds (distance) P-C4' energy: -30.270
flat angles C4'-P-C4' energy: -29.680
flat angles P-C4'-P energy: -19.337
tors. eta vs tors. theta energy: -39.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -438.926379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.926379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.926379 (E_RNA)
where:
Base-Base interactions energy: -296.281
where: short stacking energy: -137.737
Base-Backbone interact. energy: 0.436
local terms energy: -143.081482
where:
bonds (distance) C4'-P energy: -30.834
bonds (distance) P-C4' energy: -28.872
flat angles C4'-P-C4' energy: -32.111
flat angles P-C4'-P energy: -20.475
tors. eta vs tors. theta energy: -30.789
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: 10
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -372.894266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.894266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.894266 (E_RNA)
where:
Base-Base interactions energy: -245.220
where: short stacking energy: -108.666
Base-Backbone interact. energy: -0.735
local terms energy: -126.939182
where:
bonds (distance) C4'-P energy: -31.669
bonds (distance) P-C4' energy: -30.887
flat angles C4'-P-C4' energy: -30.188
flat angles P-C4'-P energy: -17.805
tors. eta vs tors. theta energy: -16.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -259.716403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.716403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.716403 (E_RNA)
where:
Base-Base interactions energy: -153.212
where: short stacking energy: -92.927
Base-Backbone interact. energy: 1.345
local terms energy: -107.849479
where:
bonds (distance) C4'-P energy: -33.414
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -23.514
flat angles P-C4'-P energy: -14.783
tors. eta vs tors. theta energy: -22.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -156.698330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.698330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.698330 (E_RNA)
where:
Base-Base interactions energy: -59.657
where: short stacking energy: -49.534
Base-Backbone interact. energy: -0.185
local terms energy: -96.856741
where:
bonds (distance) C4'-P energy: -28.291
bonds (distance) P-C4' energy: -33.380
flat angles C4'-P-C4' energy: -28.390
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: 1.499
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: 9
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -604.383905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.383905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.383905 (E_RNA)
where:
Base-Base interactions energy: -416.294
where: short stacking energy: -181.304
Base-Backbone interact. energy: -0.006
local terms energy: -188.082931
where:
bonds (distance) C4'-P energy: -32.163
bonds (distance) P-C4' energy: -38.215
flat angles C4'-P-C4' energy: -36.481
flat angles P-C4'-P energy: -27.451
tors. eta vs tors. theta energy: -53.773
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: 8
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -596.200597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.200597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.200597 (E_RNA)
where:
Base-Base interactions energy: -418.533
where: short stacking energy: -171.764
Base-Backbone interact. energy: -0.990
local terms energy: -176.677615
where:
bonds (distance) C4'-P energy: -39.188
bonds (distance) P-C4' energy: -28.190
flat angles C4'-P-C4' energy: -38.543
flat angles P-C4'-P energy: -28.845
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: 3, replica: 2
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -577.055753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.055753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.055753 (E_RNA)
where:
Base-Base interactions energy: -394.189
where: short stacking energy: -164.326
Base-Backbone interact. energy: -0.024
local terms energy: -182.843063
where:
bonds (distance) C4'-P energy: -36.527
bonds (distance) P-C4' energy: -35.413
flat angles C4'-P-C4' energy: -41.122
flat angles P-C4'-P energy: -28.768
tors. eta vs tors. theta energy: -41.014
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: 4, replica: 6
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -560.902794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.902794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.902794 (E_RNA)
where:
Base-Base interactions energy: -387.247
where: short stacking energy: -160.374
Base-Backbone interact. energy: 1.029
local terms energy: -174.684702
where:
bonds (distance) C4'-P energy: -36.836
bonds (distance) P-C4' energy: -35.359
flat angles C4'-P-C4' energy: -32.925
flat angles P-C4'-P energy: -24.322
tors. eta vs tors. theta energy: -45.243
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: 1
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -536.851169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.851169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.851169 (E_RNA)
where:
Base-Base interactions energy: -373.734
where: short stacking energy: -153.785
Base-Backbone interact. energy: -0.709
local terms energy: -162.407592
where:
bonds (distance) C4'-P energy: -26.576
bonds (distance) P-C4' energy: -27.104
flat angles C4'-P-C4' energy: -38.972
flat angles P-C4'-P energy: -24.395
tors. eta vs tors. theta energy: -45.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -510.624946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.624946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.624946 (E_RNA)
where:
Base-Base interactions energy: -367.454
where: short stacking energy: -154.600
Base-Backbone interact. energy: -0.451
local terms energy: -142.719768
where:
bonds (distance) C4'-P energy: -27.489
bonds (distance) P-C4' energy: -23.745
flat angles C4'-P-C4' energy: -31.583
flat angles P-C4'-P energy: -16.892
tors. eta vs tors. theta energy: -43.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -455.708971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.708971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.708971 (E_RNA)
where:
Base-Base interactions energy: -313.642
where: short stacking energy: -135.118
Base-Backbone interact. energy: 1.993
local terms energy: -144.059400
where:
bonds (distance) C4'-P energy: -30.070
bonds (distance) P-C4' energy: -32.368
flat angles C4'-P-C4' energy: -32.299
flat angles P-C4'-P energy: -16.541
tors. eta vs tors. theta energy: -32.781
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: 10
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -366.464842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.464842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.464842 (E_RNA)
where:
Base-Base interactions energy: -226.070
where: short stacking energy: -107.062
Base-Backbone interact. energy: -0.713
local terms energy: -139.682031
where:
bonds (distance) C4'-P energy: -28.637
bonds (distance) P-C4' energy: -30.524
flat angles C4'-P-C4' energy: -36.433
flat angles P-C4'-P energy: -23.172
tors. eta vs tors. theta energy: -20.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -284.074344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.074344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.074344 (E_RNA)
where:
Base-Base interactions energy: -173.581
where: short stacking energy: -83.983
Base-Backbone interact. energy: 0.252
local terms energy: -110.745248
where:
bonds (distance) C4'-P energy: -28.970
bonds (distance) P-C4' energy: -29.993
flat angles C4'-P-C4' energy: -25.219
flat angles P-C4'-P energy: -17.734
tors. eta vs tors. theta energy: -8.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -162.499589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.499589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.499589 (E_RNA)
where:
Base-Base interactions energy: -68.606
where: short stacking energy: -41.608
Base-Backbone interact. energy: -0.497
local terms energy: -93.396511
where:
bonds (distance) C4'-P energy: -33.270
bonds (distance) P-C4' energy: -28.477
flat angles C4'-P-C4' energy: -27.110
flat angles P-C4'-P energy: -16.719
tors. eta vs tors. theta energy: 12.180
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: 1, replica: 8
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -604.940520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.940520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.940520 (E_RNA)
where:
Base-Base interactions energy: -421.387
where: short stacking energy: -170.226
Base-Backbone interact. energy: 5.017
local terms energy: -188.569980
where:
bonds (distance) C4'-P energy: -35.405
bonds (distance) P-C4' energy: -37.531
flat angles C4'-P-C4' energy: -36.393
flat angles P-C4'-P energy: -30.906
tors. eta vs tors. theta energy: -48.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -605.809281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.809281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.809281 (E_RNA)
where:
Base-Base interactions energy: -418.507
where: short stacking energy: -196.811
Base-Backbone interact. energy: -0.695
local terms energy: -186.607269
where:
bonds (distance) C4'-P energy: -32.197
bonds (distance) P-C4' energy: -39.000
flat angles C4'-P-C4' energy: -37.008
flat angles P-C4'-P energy: -22.005
tors. eta vs tors. theta energy: -56.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -581.689600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.689600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.689600 (E_RNA)
where:
Base-Base interactions energy: -401.225
where: short stacking energy: -172.320
Base-Backbone interact. energy: -0.336
local terms energy: -180.128027
where:
bonds (distance) C4'-P energy: -32.314
bonds (distance) P-C4' energy: -38.889
flat angles C4'-P-C4' energy: -38.403
flat angles P-C4'-P energy: -22.939
tors. eta vs tors. theta energy: -47.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -546.087406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.087406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.087406 (E_RNA)
where:
Base-Base interactions energy: -386.023
where: short stacking energy: -159.425
Base-Backbone interact. energy: -0.068
local terms energy: -159.995986
where:
bonds (distance) C4'-P energy: -29.368
bonds (distance) P-C4' energy: -28.495
flat angles C4'-P-C4' energy: -37.246
flat angles P-C4'-P energy: -23.064
tors. eta vs tors. theta energy: -41.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -544.002683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.002683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.002683 (E_RNA)
where:
Base-Base interactions energy: -385.416
where: short stacking energy: -158.602
Base-Backbone interact. energy: 2.429
local terms energy: -161.015727
where:
bonds (distance) C4'-P energy: -34.055
bonds (distance) P-C4' energy: -28.434
flat angles C4'-P-C4' energy: -33.748
flat angles P-C4'-P energy: -19.948
tors. eta vs tors. theta energy: -44.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -518.297711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.297711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.297711 (E_RNA)
where:
Base-Base interactions energy: -365.396
where: short stacking energy: -150.653
Base-Backbone interact. energy: -0.695
local terms energy: -152.206197
where:
bonds (distance) C4'-P energy: -25.807
bonds (distance) P-C4' energy: -31.723
flat angles C4'-P-C4' energy: -35.279
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -47.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -443.920427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.920427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.920427 (E_RNA)
where:
Base-Base interactions energy: -299.904
where: short stacking energy: -130.368
Base-Backbone interact. energy: -0.578
local terms energy: -143.438482
where:
bonds (distance) C4'-P energy: -30.940
bonds (distance) P-C4' energy: -31.969
flat angles C4'-P-C4' energy: -32.917
flat angles P-C4'-P energy: -22.033
tors. eta vs tors. theta energy: -25.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -360.281749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.281749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.281749 (E_RNA)
where:
Base-Base interactions energy: -227.849
where: short stacking energy: -99.563
Base-Backbone interact. energy: -0.291
local terms energy: -132.141740
where:
bonds (distance) C4'-P energy: -25.055
bonds (distance) P-C4' energy: -38.753
flat angles C4'-P-C4' energy: -20.859
flat angles P-C4'-P energy: -23.073
tors. eta vs tors. theta energy: -24.402
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: 332
Temperature: 1.300000
Total energy: -331.351274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.351274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.351274 (E_RNA)
where:
Base-Base interactions energy: -203.229
where: short stacking energy: -107.865
Base-Backbone interact. energy: -0.010
local terms energy: -128.112319
where:
bonds (distance) C4'-P energy: -27.272
bonds (distance) P-C4' energy: -34.130
flat angles C4'-P-C4' energy: -25.177
flat angles P-C4'-P energy: -23.638
tors. eta vs tors. theta energy: -17.894
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: 3
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -160.977735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.977735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.977735 (E_RNA)
where:
Base-Base interactions energy: -70.612
where: short stacking energy: -53.064
Base-Backbone interact. energy: -1.036
local terms energy: -89.330251
where:
bonds (distance) C4'-P energy: -24.502
bonds (distance) P-C4' energy: -36.071
flat angles C4'-P-C4' energy: -24.357
flat angles P-C4'-P energy: -12.655
tors. eta vs tors. theta energy: 8.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -603.253166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.253166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.253166 (E_RNA)
where:
Base-Base interactions energy: -425.238
where: short stacking energy: -184.615
Base-Backbone interact. energy: -0.667
local terms energy: -177.347913
where:
bonds (distance) C4'-P energy: -29.453
bonds (distance) P-C4' energy: -37.336
flat angles C4'-P-C4' energy: -35.384
flat angles P-C4'-P energy: -23.002
tors. eta vs tors. theta energy: -52.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -596.782841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.782841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.782841 (E_RNA)
where:
Base-Base interactions energy: -421.137
where: short stacking energy: -191.874
Base-Backbone interact. energy: -0.200
local terms energy: -175.446409
where:
bonds (distance) C4'-P energy: -26.579
bonds (distance) P-C4' energy: -37.385
flat angles C4'-P-C4' energy: -37.124
flat angles P-C4'-P energy: -20.138
tors. eta vs tors. theta energy: -54.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -575.856748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.856748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.856748 (E_RNA)
where:
Base-Base interactions energy: -396.089
where: short stacking energy: -158.093
Base-Backbone interact. energy: -0.712
local terms energy: -179.055733
where:
bonds (distance) C4'-P energy: -39.004
bonds (distance) P-C4' energy: -30.806
flat angles C4'-P-C4' energy: -38.255
flat angles P-C4'-P energy: -26.340
tors. eta vs tors. theta energy: -44.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -539.753529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.753529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.753529 (E_RNA)
where:
Base-Base interactions energy: -369.068
where: short stacking energy: -162.619
Base-Backbone interact. energy: -0.984
local terms energy: -169.701742
where:
bonds (distance) C4'-P energy: -26.400
bonds (distance) P-C4' energy: -39.508
flat angles C4'-P-C4' energy: -37.689
flat angles P-C4'-P energy: -21.933
tors. eta vs tors. theta energy: -44.172
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: 6
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -541.767613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.767613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.767613 (E_RNA)
where:
Base-Base interactions energy: -378.307
where: short stacking energy: -156.982
Base-Backbone interact. energy: -0.815
local terms energy: -162.645514
where:
bonds (distance) C4'-P energy: -32.423
bonds (distance) P-C4' energy: -30.551
flat angles C4'-P-C4' energy: -37.516
flat angles P-C4'-P energy: -14.117
tors. eta vs tors. theta energy: -48.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -512.333187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.333187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.333187 (E_RNA)
where:
Base-Base interactions energy: -361.730
where: short stacking energy: -169.841
Base-Backbone interact. energy: -0.161
local terms energy: -150.442283
where:
bonds (distance) C4'-P energy: -26.677
bonds (distance) P-C4' energy: -27.179
flat angles C4'-P-C4' energy: -30.529
flat angles P-C4'-P energy: -17.784
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: 7, replica: 7
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -429.936689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.936689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.936689 (E_RNA)
where:
Base-Base interactions energy: -301.465
where: short stacking energy: -122.205
Base-Backbone interact. energy: -0.730
local terms energy: -127.741275
where:
bonds (distance) C4'-P energy: -25.032
bonds (distance) P-C4' energy: -23.871
flat angles C4'-P-C4' energy: -35.030
flat angles P-C4'-P energy: -18.913
tors. eta vs tors. theta energy: -24.895
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: 4
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -339.443975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.443975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.443975 (E_RNA)
where:
Base-Base interactions energy: -215.433
where: short stacking energy: -95.428
Base-Backbone interact. energy: -0.478
local terms energy: -123.533403
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -32.581
flat angles C4'-P-C4' energy: -31.517
flat angles P-C4'-P energy: -23.917
tors. eta vs tors. theta energy: -16.257
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: 9, replica: 10
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -349.096811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.096811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.096811 (E_RNA)
where:
Base-Base interactions energy: -223.534
where: short stacking energy: -96.945
Base-Backbone interact. energy: -1.943
local terms energy: -123.619793
where:
bonds (distance) C4'-P energy: -30.429
bonds (distance) P-C4' energy: -29.588
flat angles C4'-P-C4' energy: -31.629
flat angles P-C4'-P energy: -16.608
tors. eta vs tors. theta energy: -15.365
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: 10, replica: 3
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -164.248973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.248973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.248973 (E_RNA)
where:
Base-Base interactions energy: -70.116
where: short stacking energy: -47.210
Base-Backbone interact. energy: 0.362
local terms energy: -94.494896
where:
bonds (distance) C4'-P energy: -31.162
bonds (distance) P-C4' energy: -27.890
flat angles C4'-P-C4' energy: -23.197
flat angles P-C4'-P energy: -16.206
tors. eta vs tors. theta energy: 3.959
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: 1, replica: 8
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -584.347988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.347988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.347988 (E_RNA)
where:
Base-Base interactions energy: -420.363
where: short stacking energy: -165.445
Base-Backbone interact. energy: -0.881
local terms energy: -163.103715
where:
bonds (distance) C4'-P energy: -26.902
bonds (distance) P-C4' energy: -30.586
flat angles C4'-P-C4' energy: -33.308
flat angles P-C4'-P energy: -28.324
tors. eta vs tors. theta energy: -43.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -598.808209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.808209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.808209 (E_RNA)
where:
Base-Base interactions energy: -408.268
where: short stacking energy: -180.667
Base-Backbone interact. energy: -0.196
local terms energy: -190.344233
where:
bonds (distance) C4'-P energy: -35.243
bonds (distance) P-C4' energy: -34.384
flat angles C4'-P-C4' energy: -41.496
flat angles P-C4'-P energy: -23.836
tors. eta vs tors. theta energy: -55.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -580.836684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.836684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.836684 (E_RNA)
where:
Base-Base interactions energy: -405.751
where: short stacking energy: -168.348
Base-Backbone interact. energy: -1.627
local terms energy: -173.458242
where:
bonds (distance) C4'-P energy: -33.771
bonds (distance) P-C4' energy: -29.631
flat angles C4'-P-C4' energy: -37.574
flat angles P-C4'-P energy: -24.459
tors. eta vs tors. theta energy: -48.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -532.561101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.561101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.561101 (E_RNA)
where:
Base-Base interactions energy: -371.501
where: short stacking energy: -172.126
Base-Backbone interact. energy: -1.113
local terms energy: -159.946749
where:
bonds (distance) C4'-P energy: -24.655
bonds (distance) P-C4' energy: -27.965
flat angles C4'-P-C4' energy: -37.315
flat angles P-C4'-P energy: -27.667
tors. eta vs tors. theta energy: -42.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -514.505733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.505733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.505733 (E_RNA)
where:
Base-Base interactions energy: -352.259
where: short stacking energy: -144.712
Base-Backbone interact. energy: -0.312
local terms energy: -161.934803
where:
bonds (distance) C4'-P energy: -25.034
bonds (distance) P-C4' energy: -36.695
flat angles C4'-P-C4' energy: -34.850
flat angles P-C4'-P energy: -25.862
tors. eta vs tors. theta energy: -39.494
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: 6, replica: 5
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -512.409877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.409877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.409877 (E_RNA)
where:
Base-Base interactions energy: -367.297
where: short stacking energy: -162.757
Base-Backbone interact. energy: -0.859
local terms energy: -144.253628
where:
bonds (distance) C4'-P energy: -14.780
bonds (distance) P-C4' energy: -34.758
flat angles C4'-P-C4' energy: -33.188
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -48.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -466.057314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.057314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.057314 (E_RNA)
where:
Base-Base interactions energy: -311.803
where: short stacking energy: -147.500
Base-Backbone interact. energy: 0.861
local terms energy: -155.115040
where:
bonds (distance) C4'-P energy: -29.357
bonds (distance) P-C4' energy: -31.780
flat angles C4'-P-C4' energy: -27.188
flat angles P-C4'-P energy: -22.901
tors. eta vs tors. theta energy: -43.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -355.559098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.559098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.559098 (E_RNA)
where:
Base-Base interactions energy: -235.264
where: short stacking energy: -118.787
Base-Backbone interact. energy: -1.300
local terms energy: -118.995461
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -35.998
flat angles C4'-P-C4' energy: -30.775
flat angles P-C4'-P energy: -15.815
tors. eta vs tors. theta energy: -22.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -344.234473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.234473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.234473 (E_RNA)
where:
Base-Base interactions energy: -229.980
where: short stacking energy: -97.135
Base-Backbone interact. energy: 2.177
local terms energy: -116.432264
where:
bonds (distance) C4'-P energy: -24.493
bonds (distance) P-C4' energy: -29.321
flat angles C4'-P-C4' energy: -28.965
flat angles P-C4'-P energy: -14.776
tors. eta vs tors. theta energy: -18.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -157.935577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.935577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.935577 (E_RNA)
where:
Base-Base interactions energy: -58.383
where: short stacking energy: -46.075
Base-Backbone interact. energy: -0.314
local terms energy: -99.239016
where:
bonds (distance) C4'-P energy: -26.515
bonds (distance) P-C4' energy: -31.100
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -21.581
tors. eta vs tors. theta energy: -5.410
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: 8
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -594.181276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.181276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.181276 (E_RNA)
where:
Base-Base interactions energy: -426.339
where: short stacking energy: -176.611
Base-Backbone interact. energy: 0.428
local terms energy: -168.271251
where:
bonds (distance) C4'-P energy: -32.263
bonds (distance) P-C4' energy: -32.444
flat angles C4'-P-C4' energy: -34.560
flat angles P-C4'-P energy: -21.757
tors. eta vs tors. theta energy: -47.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -588.043174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.043174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.043174 (E_RNA)
where:
Base-Base interactions energy: -420.404
where: short stacking energy: -172.848
Base-Backbone interact. energy: -0.438
local terms energy: -167.200764
where:
bonds (distance) C4'-P energy: -33.253
bonds (distance) P-C4' energy: -33.647
flat angles C4'-P-C4' energy: -34.488
flat angles P-C4'-P energy: -28.296
tors. eta vs tors. theta energy: -37.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -594.715852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.715852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.715852 (E_RNA)
where:
Base-Base interactions energy: -408.083
where: short stacking energy: -191.431
Base-Backbone interact. energy: 1.107
local terms energy: -187.739532
where:
bonds (distance) C4'-P energy: -33.079
bonds (distance) P-C4' energy: -31.995
flat angles C4'-P-C4' energy: -39.808
flat angles P-C4'-P energy: -28.484
tors. eta vs tors. theta energy: -54.374
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: 6
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -536.989881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.989881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.989881 (E_RNA)
where:
Base-Base interactions energy: -378.375
where: short stacking energy: -161.068
Base-Backbone interact. energy: 0.091
local terms energy: -158.706382
where:
bonds (distance) C4'-P energy: -31.812
bonds (distance) P-C4' energy: -25.706
flat angles C4'-P-C4' energy: -33.550
flat angles P-C4'-P energy: -26.546
tors. eta vs tors. theta energy: -41.094
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: 5, replica: 1
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -540.229500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.229500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.229500 (E_RNA)
where:
Base-Base interactions energy: -388.736
where: short stacking energy: -163.751
Base-Backbone interact. energy: -2.214
local terms energy: -149.278847
where:
bonds (distance) C4'-P energy: -27.583
bonds (distance) P-C4' energy: -24.858
flat angles C4'-P-C4' energy: -32.230
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -39.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -474.193560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.193560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.193560 (E_RNA)
where:
Base-Base interactions energy: -324.600
where: short stacking energy: -138.052
Base-Backbone interact. energy: -0.643
local terms energy: -148.950903
where:
bonds (distance) C4'-P energy: -35.127
bonds (distance) P-C4' energy: -26.981
flat angles C4'-P-C4' energy: -29.177
flat angles P-C4'-P energy: -19.230
tors. eta vs tors. theta energy: -38.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -420.584909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.584909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.584909 (E_RNA)
where:
Base-Base interactions energy: -289.348
where: short stacking energy: -120.970
Base-Backbone interact. energy: -0.524
local terms energy: -130.713085
where:
bonds (distance) C4'-P energy: -34.939
bonds (distance) P-C4' energy: -29.365
flat angles C4'-P-C4' energy: -25.087
flat angles P-C4'-P energy: -18.110
tors. eta vs tors. theta energy: -23.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -392.472000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.472000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.472000 (E_RNA)
where:
Base-Base interactions energy: -252.613
where: short stacking energy: -119.911
Base-Backbone interact. energy: -0.477
local terms energy: -139.381700
where:
bonds (distance) C4'-P energy: -34.286
bonds (distance) P-C4' energy: -36.309
flat angles C4'-P-C4' energy: -27.907
flat angles P-C4'-P energy: -22.919
tors. eta vs tors. theta energy: -17.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -360.199322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.199322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.199322 (E_RNA)
where:
Base-Base interactions energy: -225.822
where: short stacking energy: -98.830
Base-Backbone interact. energy: 0.027
local terms energy: -134.404385
where:
bonds (distance) C4'-P energy: -29.100
bonds (distance) P-C4' energy: -36.641
flat angles C4'-P-C4' energy: -26.804
flat angles P-C4'-P energy: -24.422
tors. eta vs tors. theta energy: -17.437
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: 10, replica: 3
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -163.659781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.659781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.659781 (E_RNA)
where:
Base-Base interactions energy: -52.791
where: short stacking energy: -34.780
Base-Backbone interact. energy: 2.138
local terms energy: -113.006373
where:
bonds (distance) C4'-P energy: -36.206
bonds (distance) P-C4' energy: -33.949
flat angles C4'-P-C4' energy: -26.821
flat angles P-C4'-P energy: -17.089
tors. eta vs tors. theta energy: 1.059
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: 2
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -591.325157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.325157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.325157 (E_RNA)
where:
Base-Base interactions energy: -420.379
where: short stacking energy: -166.486
Base-Backbone interact. energy: -0.591
local terms energy: -170.354748
where:
bonds (distance) C4'-P energy: -24.019
bonds (distance) P-C4' energy: -38.692
flat angles C4'-P-C4' energy: -38.901
flat angles P-C4'-P energy: -26.498
tors. eta vs tors. theta energy: -42.244
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: 8
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -593.415883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.415883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.415883 (E_RNA)
where:
Base-Base interactions energy: -424.023
where: short stacking energy: -154.106
Base-Backbone interact. energy: -0.295
local terms energy: -169.097502
where:
bonds (distance) C4'-P energy: -35.752
bonds (distance) P-C4' energy: -30.656
flat angles C4'-P-C4' energy: -33.166
flat angles P-C4'-P energy: -27.763
tors. eta vs tors. theta energy: -41.761
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: 336
Temperature: 1.000000
Total energy: -594.926780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.926780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.926780 (E_RNA)
where:
Base-Base interactions energy: -415.418
where: short stacking energy: -181.760
Base-Backbone interact. energy: -0.261
local terms energy: -179.248043
where:
bonds (distance) C4'-P energy: -26.660
bonds (distance) P-C4' energy: -35.066
flat angles C4'-P-C4' energy: -41.451
flat angles P-C4'-P energy: -26.811
tors. eta vs tors. theta energy: -49.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -540.795445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.795445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.795445 (E_RNA)
where:
Base-Base interactions energy: -378.091
where: short stacking energy: -172.889
Base-Backbone interact. energy: -0.034
local terms energy: -162.670283
where:
bonds (distance) C4'-P energy: -28.660
bonds (distance) P-C4' energy: -32.786
flat angles C4'-P-C4' energy: -33.754
flat angles P-C4'-P energy: -17.248
tors. eta vs tors. theta energy: -50.222
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: 5, replica: 1
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -553.048985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.048985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.048985 (E_RNA)
where:
Base-Base interactions energy: -398.368
where: short stacking energy: -172.558
Base-Backbone interact. energy: -1.508
local terms energy: -153.173394
where:
bonds (distance) C4'-P energy: -26.490
bonds (distance) P-C4' energy: -26.656
flat angles C4'-P-C4' energy: -38.073
flat angles P-C4'-P energy: -18.793
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: 6, replica: 5
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -493.613882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.613882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.613882 (E_RNA)
where:
Base-Base interactions energy: -350.338
where: short stacking energy: -146.254
Base-Backbone interact. energy: 0.533
local terms energy: -143.808722
where:
bonds (distance) C4'-P energy: -20.327
bonds (distance) P-C4' energy: -28.458
flat angles C4'-P-C4' energy: -33.278
flat angles P-C4'-P energy: -25.244
tors. eta vs tors. theta energy: -36.501
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: 7
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -434.685411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.685411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.685411 (E_RNA)
where:
Base-Base interactions energy: -289.472
where: short stacking energy: -128.496
Base-Backbone interact. energy: -0.080
local terms energy: -145.133510
where:
bonds (distance) C4'-P energy: -27.848
bonds (distance) P-C4' energy: -38.663
flat angles C4'-P-C4' energy: -31.714
flat angles P-C4'-P energy: -22.590
tors. eta vs tors. theta energy: -24.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -349.203866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.203866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.203866 (E_RNA)
where:
Base-Base interactions energy: -224.990
where: short stacking energy: -108.422
Base-Backbone interact. energy: 1.556
local terms energy: -125.769947
where:
bonds (distance) C4'-P energy: -27.184
bonds (distance) P-C4' energy: -21.041
flat angles C4'-P-C4' energy: -31.709
flat angles P-C4'-P energy: -27.162
tors. eta vs tors. theta energy: -18.674
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: 4
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -330.605321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.605321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.605321 (E_RNA)
where:
Base-Base interactions energy: -211.130
where: short stacking energy: -100.537
Base-Backbone interact. energy: -0.386
local terms energy: -119.088477
where:
bonds (distance) C4'-P energy: -33.409
bonds (distance) P-C4' energy: -20.304
flat angles C4'-P-C4' energy: -30.003
flat angles P-C4'-P energy: -20.977
tors. eta vs tors. theta energy: -14.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -232.698161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.698161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.698161 (E_RNA)
where:
Base-Base interactions energy: -125.018
where: short stacking energy: -81.902
Base-Backbone interact. energy: -0.900
local terms energy: -106.779905
where:
bonds (distance) C4'-P energy: -20.514
bonds (distance) P-C4' energy: -31.718
flat angles C4'-P-C4' energy: -28.394
flat angles P-C4'-P energy: -18.166
tors. eta vs tors. theta energy: -7.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -590.481621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.481621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.481621 (E_RNA)
where:
Base-Base interactions energy: -411.629
where: short stacking energy: -164.064
Base-Backbone interact. energy: -1.495
local terms energy: -177.357803
where:
bonds (distance) C4'-P energy: -37.487
bonds (distance) P-C4' energy: -30.700
flat angles C4'-P-C4' energy: -38.256
flat angles P-C4'-P energy: -28.500
tors. eta vs tors. theta energy: -42.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -589.949090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.949090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.949090 (E_RNA)
where:
Base-Base interactions energy: -416.078
where: short stacking energy: -162.895
Base-Backbone interact. energy: 2.875
local terms energy: -176.746089
where:
bonds (distance) C4'-P energy: -30.971
bonds (distance) P-C4' energy: -35.246
flat angles C4'-P-C4' energy: -35.941
flat angles P-C4'-P energy: -29.777
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: 3, replica: 9
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -575.754132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.754132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.754132 (E_RNA)
where:
Base-Base interactions energy: -391.422
where: short stacking energy: -171.287
Base-Backbone interact. energy: -0.126
local terms energy: -184.206076
where:
bonds (distance) C4'-P energy: -31.515
bonds (distance) P-C4' energy: -37.315
flat angles C4'-P-C4' energy: -40.997
flat angles P-C4'-P energy: -19.491
tors. eta vs tors. theta energy: -54.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -544.707430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.707430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.707430 (E_RNA)
where:
Base-Base interactions energy: -400.759
where: short stacking energy: -157.963
Base-Backbone interact. energy: -0.544
local terms energy: -143.404415
where:
bonds (distance) C4'-P energy: -24.203
bonds (distance) P-C4' energy: -24.535
flat angles C4'-P-C4' energy: -30.725
flat angles P-C4'-P energy: -23.704
tors. eta vs tors. theta energy: -40.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -512.043751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.043751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.043751 (E_RNA)
where:
Base-Base interactions energy: -347.077
where: short stacking energy: -149.925
Base-Backbone interact. energy: 0.845
local terms energy: -165.812202
where:
bonds (distance) C4'-P energy: -32.838
bonds (distance) P-C4' energy: -31.479
flat angles C4'-P-C4' energy: -36.138
flat angles P-C4'-P energy: -23.087
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: 6, replica: 5
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -526.963534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.963534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.963534 (E_RNA)
where:
Base-Base interactions energy: -376.280
where: short stacking energy: -170.570
Base-Backbone interact. energy: -0.399
local terms energy: -150.284687
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -33.796
flat angles C4'-P-C4' energy: -32.630
flat angles P-C4'-P energy: -22.728
tors. eta vs tors. theta energy: -45.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -448.917942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.917942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.917942 (E_RNA)
where:
Base-Base interactions energy: -307.157
where: short stacking energy: -124.538
Base-Backbone interact. energy: -0.135
local terms energy: -141.625691
where:
bonds (distance) C4'-P energy: -29.078
bonds (distance) P-C4' energy: -26.018
flat angles C4'-P-C4' energy: -29.868
flat angles P-C4'-P energy: -24.807
tors. eta vs tors. theta energy: -31.856
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: 10
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -374.883585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.883585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.883585 (E_RNA)
where:
Base-Base interactions energy: -263.532
where: short stacking energy: -113.298
Base-Backbone interact. energy: -1.961
local terms energy: -109.391274
where:
bonds (distance) C4'-P energy: -22.869
bonds (distance) P-C4' energy: -27.312
flat angles C4'-P-C4' energy: -21.470
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -26.245
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: 4
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -338.203798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.203798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.203798 (E_RNA)
where:
Base-Base interactions energy: -210.476
where: short stacking energy: -102.192
Base-Backbone interact. energy: -0.308
local terms energy: -127.420128
where:
bonds (distance) C4'-P energy: -24.284
bonds (distance) P-C4' energy: -32.847
flat angles C4'-P-C4' energy: -25.659
flat angles P-C4'-P energy: -19.888
tors. eta vs tors. theta energy: -24.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -201.630333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.630333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.630333 (E_RNA)
where:
Base-Base interactions energy: -94.083
where: short stacking energy: -66.598
Base-Backbone interact. energy: 0.693
local terms energy: -108.241069
where:
bonds (distance) C4'-P energy: -25.906
bonds (distance) P-C4' energy: -31.613
flat angles C4'-P-C4' energy: -24.095
flat angles P-C4'-P energy: -22.125
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: 338
Temperature: 0.900000
Total energy: -595.917962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.917962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.917962 (E_RNA)
where:
Base-Base interactions energy: -413.052
where: short stacking energy: -175.756
Base-Backbone interact. energy: -1.774
local terms energy: -181.092724
where:
bonds (distance) C4'-P energy: -33.735
bonds (distance) P-C4' energy: -27.969
flat angles C4'-P-C4' energy: -41.070
flat angles P-C4'-P energy: -30.638
tors. eta vs tors. theta energy: -47.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -591.278507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.278507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.278507 (E_RNA)
where:
Base-Base interactions energy: -421.448
where: short stacking energy: -170.792
Base-Backbone interact. energy: -0.575
local terms energy: -169.255305
where:
bonds (distance) C4'-P energy: -25.344
bonds (distance) P-C4' energy: -33.922
flat angles C4'-P-C4' energy: -41.759
flat angles P-C4'-P energy: -22.233
tors. eta vs tors. theta energy: -45.997
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: 1
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -566.955254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.955254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.955254 (E_RNA)
where:
Base-Base interactions energy: -398.463
where: short stacking energy: -156.297
Base-Backbone interact. energy: -1.073
local terms energy: -167.418884
where:
bonds (distance) C4'-P energy: -32.194
bonds (distance) P-C4' energy: -35.216
flat angles C4'-P-C4' energy: -38.690
flat angles P-C4'-P energy: -22.440
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: 4, replica: 9
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -579.525251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.525251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.525251 (E_RNA)
where:
Base-Base interactions energy: -395.977
where: short stacking energy: -183.484
Base-Backbone interact. energy: -0.351
local terms energy: -183.196549
where:
bonds (distance) C4'-P energy: -34.634
bonds (distance) P-C4' energy: -30.387
flat angles C4'-P-C4' energy: -37.250
flat angles P-C4'-P energy: -27.346
tors. eta vs tors. theta energy: -53.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -544.327639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.327639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.327639 (E_RNA)
where:
Base-Base interactions energy: -374.028
where: short stacking energy: -172.757
Base-Backbone interact. energy: -0.358
local terms energy: -169.941878
where:
bonds (distance) C4'-P energy: -27.402
bonds (distance) P-C4' energy: -25.101
flat angles C4'-P-C4' energy: -38.642
flat angles P-C4'-P energy: -27.454
tors. eta vs tors. theta energy: -51.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -519.471302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.471302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.471302 (E_RNA)
where:
Base-Base interactions energy: -360.870
where: short stacking energy: -152.268
Base-Backbone interact. energy: -0.176
local terms energy: -158.425497
where:
bonds (distance) C4'-P energy: -34.642
bonds (distance) P-C4' energy: -33.369
flat angles C4'-P-C4' energy: -30.477
flat angles P-C4'-P energy: -18.620
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: 7, replica: 7
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -463.361790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.361790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.361790 (E_RNA)
where:
Base-Base interactions energy: -306.732
where: short stacking energy: -137.803
Base-Backbone interact. energy: -0.027
local terms energy: -156.602689
where:
bonds (distance) C4'-P energy: -26.148
bonds (distance) P-C4' energy: -35.719
flat angles C4'-P-C4' energy: -38.307
flat angles P-C4'-P energy: -22.454
tors. eta vs tors. theta energy: -33.975
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: 8, replica: 10
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -354.590999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.590999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.590999 (E_RNA)
where:
Base-Base interactions energy: -217.609
where: short stacking energy: -108.714
Base-Backbone interact. energy: -0.065
local terms energy: -136.917502
where:
bonds (distance) C4'-P energy: -31.328
bonds (distance) P-C4' energy: -32.676
flat angles C4'-P-C4' energy: -31.571
flat angles P-C4'-P energy: -21.401
tors. eta vs tors. theta energy: -19.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -333.584486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.584486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.584486 (E_RNA)
where:
Base-Base interactions energy: -206.684
where: short stacking energy: -109.396
Base-Backbone interact. energy: -1.764
local terms energy: -125.137147
where:
bonds (distance) C4'-P energy: -28.999
bonds (distance) P-C4' energy: -23.022
flat angles C4'-P-C4' energy: -36.864
flat angles P-C4'-P energy: -16.900
tors. eta vs tors. theta energy: -19.353
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: 338
Temperature: 1.350000
Total energy: -162.678362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.678362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.678362 (E_RNA)
where:
Base-Base interactions energy: -59.850
where: short stacking energy: -56.117
Base-Backbone interact. energy: -0.951
local terms energy: -101.876575
where:
bonds (distance) C4'-P energy: -28.705
bonds (distance) P-C4' energy: -26.606
flat angles C4'-P-C4' energy: -24.578
flat angles P-C4'-P energy: -18.354
tors. eta vs tors. theta energy: -3.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -611.461157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.461157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.461157 (E_RNA)
where:
Base-Base interactions energy: -427.392
where: short stacking energy: -183.823
Base-Backbone interact. energy: -0.633
local terms energy: -183.436467
where:
bonds (distance) C4'-P energy: -34.950
bonds (distance) P-C4' energy: -37.486
flat angles C4'-P-C4' energy: -34.941
flat angles P-C4'-P energy: -25.584
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: 1
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -605.215477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.215477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.215477 (E_RNA)
where:
Base-Base interactions energy: -425.748
where: short stacking energy: -175.149
Base-Backbone interact. energy: -0.889
local terms energy: -178.578753
where:
bonds (distance) C4'-P energy: -27.135
bonds (distance) P-C4' energy: -40.126
flat angles C4'-P-C4' energy: -37.750
flat angles P-C4'-P energy: -27.361
tors. eta vs tors. theta energy: -46.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -572.655536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.655536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.655536 (E_RNA)
where:
Base-Base interactions energy: -395.517
where: short stacking energy: -166.629
Base-Backbone interact. energy: -1.117
local terms energy: -176.021516
where:
bonds (distance) C4'-P energy: -38.510
bonds (distance) P-C4' energy: -36.845
flat angles C4'-P-C4' energy: -38.390
flat angles P-C4'-P energy: -21.443
tors. eta vs tors. theta energy: -40.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -565.359202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.359202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.359202 (E_RNA)
where:
Base-Base interactions energy: -393.781
where: short stacking energy: -169.813
Base-Backbone interact. energy: -0.618
local terms energy: -170.960510
where:
bonds (distance) C4'-P energy: -27.686
bonds (distance) P-C4' energy: -33.171
flat angles C4'-P-C4' energy: -37.866
flat angles P-C4'-P energy: -20.426
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: 5, replica: 5
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -530.757394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.757394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.757394 (E_RNA)
where:
Base-Base interactions energy: -364.570
where: short stacking energy: -157.252
Base-Backbone interact. energy: -0.248
local terms energy: -165.939614
where:
bonds (distance) C4'-P energy: -31.046
bonds (distance) P-C4' energy: -33.675
flat angles C4'-P-C4' energy: -33.445
flat angles P-C4'-P energy: -22.236
tors. eta vs tors. theta energy: -45.539
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: 6
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -498.420159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.420159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.420159 (E_RNA)
where:
Base-Base interactions energy: -341.965
where: short stacking energy: -141.856
Base-Backbone interact. energy: 1.095
local terms energy: -157.549918
where:
bonds (distance) C4'-P energy: -35.812
bonds (distance) P-C4' energy: -35.821
flat angles C4'-P-C4' energy: -31.376
flat angles P-C4'-P energy: -19.763
tors. eta vs tors. theta energy: -34.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -459.037239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.037239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.037239 (E_RNA)
where:
Base-Base interactions energy: -308.737
where: short stacking energy: -134.128
Base-Backbone interact. energy: -1.177
local terms energy: -149.123564
where:
bonds (distance) C4'-P energy: -19.953
bonds (distance) P-C4' energy: -32.419
flat angles C4'-P-C4' energy: -38.432
flat angles P-C4'-P energy: -24.288
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: 8, replica: 4
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -352.659287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.659287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.659287 (E_RNA)
where:
Base-Base interactions energy: -222.088
where: short stacking energy: -118.169
Base-Backbone interact. energy: -1.315
local terms energy: -129.256453
where:
bonds (distance) C4'-P energy: -35.223
bonds (distance) P-C4' energy: -31.394
flat angles C4'-P-C4' energy: -23.217
flat angles P-C4'-P energy: -17.402
tors. eta vs tors. theta energy: -22.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -346.046565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.046565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.046565 (E_RNA)
where:
Base-Base interactions energy: -243.555
where: short stacking energy: -110.081
Base-Backbone interact. energy: -0.986
local terms energy: -101.505775
where:
bonds (distance) C4'-P energy: -24.199
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -31.231
flat angles P-C4'-P energy: -16.707
tors. eta vs tors. theta energy: -16.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -154.824338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.824338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.824338 (E_RNA)
where:
Base-Base interactions energy: -55.583
where: short stacking energy: -41.455
Base-Backbone interact. energy: -1.780
local terms energy: -97.460723
where:
bonds (distance) C4'-P energy: -25.939
bonds (distance) P-C4' energy: -29.450
flat angles C4'-P-C4' energy: -32.303
flat angles P-C4'-P energy: -16.583
tors. eta vs tors. theta energy: 6.814
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: 340
Temperature: 0.900000
Total energy: -592.797619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.797619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.797619 (E_RNA)
where:
Base-Base interactions energy: -403.128
where: short stacking energy: -172.588
Base-Backbone interact. energy: -0.694
local terms energy: -188.975534
where:
bonds (distance) C4'-P energy: -35.662
bonds (distance) P-C4' energy: -37.033
flat angles C4'-P-C4' energy: -39.097
flat angles P-C4'-P energy: -28.705
tors. eta vs tors. theta energy: -48.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -583.330749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.330749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.330749 (E_RNA)
where:
Base-Base interactions energy: -414.838
where: short stacking energy: -163.614
Base-Backbone interact. energy: -2.218
local terms energy: -166.274506
where:
bonds (distance) C4'-P energy: -28.142
bonds (distance) P-C4' energy: -35.123
flat angles C4'-P-C4' energy: -36.371
flat angles P-C4'-P energy: -25.863
tors. eta vs tors. theta energy: -40.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -565.943629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.943629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.943629 (E_RNA)
where:
Base-Base interactions energy: -400.192
where: short stacking energy: -186.493
Base-Backbone interact. energy: -0.010
local terms energy: -165.741540
where:
bonds (distance) C4'-P energy: -32.408
bonds (distance) P-C4' energy: -26.238
flat angles C4'-P-C4' energy: -36.029
flat angles P-C4'-P energy: -21.426
tors. eta vs tors. theta energy: -49.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -554.042521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.042521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.042521 (E_RNA)
where:
Base-Base interactions energy: -385.591
where: short stacking energy: -153.845
Base-Backbone interact. energy: -0.950
local terms energy: -167.501555
where:
bonds (distance) C4'-P energy: -33.281
bonds (distance) P-C4' energy: -36.740
flat angles C4'-P-C4' energy: -35.176
flat angles P-C4'-P energy: -23.505
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: 5, replica: 6
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -506.947927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.947927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.947927 (E_RNA)
where:
Base-Base interactions energy: -349.788
where: short stacking energy: -151.424
Base-Backbone interact. energy: -0.134
local terms energy: -157.025307
where:
bonds (distance) C4'-P energy: -31.316
bonds (distance) P-C4' energy: -32.572
flat angles C4'-P-C4' energy: -31.169
flat angles P-C4'-P energy: -24.603
tors. eta vs tors. theta energy: -37.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -507.253631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.253631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.253631 (E_RNA)
where:
Base-Base interactions energy: -360.468
where: short stacking energy: -163.885
Base-Backbone interact. energy: 0.559
local terms energy: -147.344606
where:
bonds (distance) C4'-P energy: -27.618
bonds (distance) P-C4' energy: -30.157
flat angles C4'-P-C4' energy: -29.851
flat angles P-C4'-P energy: -15.197
tors. eta vs tors. theta energy: -44.521
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: 7
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -460.149373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.149373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.149373 (E_RNA)
where:
Base-Base interactions energy: -305.613
where: short stacking energy: -129.278
Base-Backbone interact. energy: -0.218
local terms energy: -154.318765
where:
bonds (distance) C4'-P energy: -32.562
bonds (distance) P-C4' energy: -35.058
flat angles C4'-P-C4' energy: -32.511
flat angles P-C4'-P energy: -23.599
tors. eta vs tors. theta energy: -30.589
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: 8, replica: 4
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -352.214654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.214654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.214654 (E_RNA)
where:
Base-Base interactions energy: -222.187
where: short stacking energy: -107.284
Base-Backbone interact. energy: -1.079
local terms energy: -128.949225
where:
bonds (distance) C4'-P energy: -30.302
bonds (distance) P-C4' energy: -32.945
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -23.287
tors. eta vs tors. theta energy: -26.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -344.208890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.208890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.208890 (E_RNA)
where:
Base-Base interactions energy: -229.769
where: short stacking energy: -104.607
Base-Backbone interact. energy: -0.342
local terms energy: -114.097700
where:
bonds (distance) C4'-P energy: -28.113
bonds (distance) P-C4' energy: -29.988
flat angles C4'-P-C4' energy: -30.742
flat angles P-C4'-P energy: -14.610
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: 10, replica: 3
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -160.046293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.046293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.046293 (E_RNA)
where:
Base-Base interactions energy: -66.624
where: short stacking energy: -62.673
Base-Backbone interact. energy: -0.754
local terms energy: -92.668947
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -32.481
flat angles C4'-P-C4' energy: -22.779
flat angles P-C4'-P energy: -15.292
tors. eta vs tors. theta energy: -4.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -605.945427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.945427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.945427 (E_RNA)
where:
Base-Base interactions energy: -426.581
where: short stacking energy: -182.549
Base-Backbone interact. energy: -1.416
local terms energy: -177.948476
where:
bonds (distance) C4'-P energy: -31.742
bonds (distance) P-C4' energy: -33.927
flat angles C4'-P-C4' energy: -41.093
flat angles P-C4'-P energy: -22.323
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: 2, replica: 9
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -577.412118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.412118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.412118 (E_RNA)
where:
Base-Base interactions energy: -390.563
where: short stacking energy: -189.696
Base-Backbone interact. energy: -0.639
local terms energy: -186.210271
where:
bonds (distance) C4'-P energy: -35.032
bonds (distance) P-C4' energy: -34.071
flat angles C4'-P-C4' energy: -35.640
flat angles P-C4'-P energy: -26.935
tors. eta vs tors. theta energy: -54.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -573.924902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.924902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.924902 (E_RNA)
where:
Base-Base interactions energy: -404.203
where: short stacking energy: -157.342
Base-Backbone interact. energy: -0.607
local terms energy: -169.115085
where:
bonds (distance) C4'-P energy: -32.837
bonds (distance) P-C4' energy: -32.833
flat angles C4'-P-C4' energy: -38.418
flat angles P-C4'-P energy: -20.502
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: 341
Temperature: 1.050000
Total energy: -529.468255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.468255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.468255 (E_RNA)
where:
Base-Base interactions energy: -359.988
where: short stacking energy: -150.273
Base-Backbone interact. energy: -0.213
local terms energy: -169.267623
where:
bonds (distance) C4'-P energy: -29.799
bonds (distance) P-C4' energy: -32.083
flat angles C4'-P-C4' energy: -39.294
flat angles P-C4'-P energy: -25.821
tors. eta vs tors. theta energy: -42.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -484.430819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.430819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.430819 (E_RNA)
where:
Base-Base interactions energy: -333.284
where: short stacking energy: -137.982
Base-Backbone interact. energy: -1.039
local terms energy: -150.107849
where:
bonds (distance) C4'-P energy: -29.685
bonds (distance) P-C4' energy: -24.497
flat angles C4'-P-C4' energy: -36.809
flat angles P-C4'-P energy: -25.553
tors. eta vs tors. theta energy: -33.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -532.760976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.760976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.760976 (E_RNA)
where:
Base-Base interactions energy: -365.081
where: short stacking energy: -154.086
Base-Backbone interact. energy: 0.249
local terms energy: -167.928951
where:
bonds (distance) C4'-P energy: -30.189
bonds (distance) P-C4' energy: -38.946
flat angles C4'-P-C4' energy: -35.750
flat angles P-C4'-P energy: -18.779
tors. eta vs tors. theta energy: -44.265
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: 7
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -469.471304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.471304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.471304 (E_RNA)
where:
Base-Base interactions energy: -327.337
where: short stacking energy: -127.278
Base-Backbone interact. energy: -0.743
local terms energy: -141.390667
where:
bonds (distance) C4'-P energy: -19.445
bonds (distance) P-C4' energy: -29.602
flat angles C4'-P-C4' energy: -34.456
flat angles P-C4'-P energy: -20.555
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: 8, replica: 4
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -373.496201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.496201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.496201 (E_RNA)
where:
Base-Base interactions energy: -236.025
where: short stacking energy: -116.824
Base-Backbone interact. energy: -0.343
local terms energy: -137.128390
where:
bonds (distance) C4'-P energy: -29.136
bonds (distance) P-C4' energy: -36.347
flat angles C4'-P-C4' energy: -28.556
flat angles P-C4'-P energy: -19.345
tors. eta vs tors. theta energy: -23.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -327.259080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.259080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.259080 (E_RNA)
where:
Base-Base interactions energy: -215.602
where: short stacking energy: -89.663
Base-Backbone interact. energy: -0.669
local terms energy: -110.988527
where:
bonds (distance) C4'-P energy: -28.106
bonds (distance) P-C4' energy: -19.681
flat angles C4'-P-C4' energy: -30.609
flat angles P-C4'-P energy: -18.582
tors. eta vs tors. theta energy: -14.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -177.034312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.034312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.034312 (E_RNA)
where:
Base-Base interactions energy: -72.287
where: short stacking energy: -57.035
Base-Backbone interact. energy: 1.579
local terms energy: -106.326073
where:
bonds (distance) C4'-P energy: -25.969
bonds (distance) P-C4' energy: -34.674
flat angles C4'-P-C4' energy: -26.172
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: -6.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -599.543790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.543790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.543790 (E_RNA)
where:
Base-Base interactions energy: -423.822
where: short stacking energy: -179.613
Base-Backbone interact. energy: -1.464
local terms energy: -174.258074
where:
bonds (distance) C4'-P energy: -27.096
bonds (distance) P-C4' energy: -38.272
flat angles C4'-P-C4' energy: -38.912
flat angles P-C4'-P energy: -23.582
tors. eta vs tors. theta energy: -46.396
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: 9
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -573.112106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.112106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.112106 (E_RNA)
where:
Base-Base interactions energy: -383.005
where: short stacking energy: -182.886
Base-Backbone interact. energy: -0.004
local terms energy: -190.102678
where:
bonds (distance) C4'-P energy: -37.429
bonds (distance) P-C4' energy: -35.330
flat angles C4'-P-C4' energy: -38.123
flat angles P-C4'-P energy: -27.984
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: 3, replica: 1
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -582.850803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.850803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.850803 (E_RNA)
where:
Base-Base interactions energy: -411.209
where: short stacking energy: -159.605
Base-Backbone interact. energy: -0.375
local terms energy: -171.267067
where:
bonds (distance) C4'-P energy: -36.760
bonds (distance) P-C4' energy: -31.861
flat angles C4'-P-C4' energy: -32.276
flat angles P-C4'-P energy: -24.936
tors. eta vs tors. theta energy: -45.434
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: 6
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -536.313165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.313165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.313165 (E_RNA)
where:
Base-Base interactions energy: -364.732
where: short stacking energy: -161.811
Base-Backbone interact. energy: -0.270
local terms energy: -171.311180
where:
bonds (distance) C4'-P energy: -31.893
bonds (distance) P-C4' energy: -39.219
flat angles C4'-P-C4' energy: -34.418
flat angles P-C4'-P energy: -21.775
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: 5, replica: 8
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -490.367395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.367395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.367395 (E_RNA)
where:
Base-Base interactions energy: -337.773
where: short stacking energy: -131.569
Base-Backbone interact. energy: -0.387
local terms energy: -152.206815
where:
bonds (distance) C4'-P energy: -33.942
bonds (distance) P-C4' energy: -33.085
flat angles C4'-P-C4' energy: -34.018
flat angles P-C4'-P energy: -19.888
tors. eta vs tors. theta energy: -31.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -507.265760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.265760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.265760 (E_RNA)
where:
Base-Base interactions energy: -352.681
where: short stacking energy: -156.660
Base-Backbone interact. energy: -0.176
local terms energy: -154.409512
where:
bonds (distance) C4'-P energy: -27.892
bonds (distance) P-C4' energy: -28.850
flat angles C4'-P-C4' energy: -30.986
flat angles P-C4'-P energy: -21.161
tors. eta vs tors. theta energy: -45.521
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: 342
Temperature: 1.200000
Total energy: -380.169711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.169711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.169711 (E_RNA)
where:
Base-Base interactions energy: -256.026
where: short stacking energy: -145.946
Base-Backbone interact. energy: -1.415
local terms energy: -122.729135
where:
bonds (distance) C4'-P energy: -19.430
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -34.268
flat angles P-C4'-P energy: -18.966
tors. eta vs tors. theta energy: -30.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -462.965283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.965283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.965283 (E_RNA)
where:
Base-Base interactions energy: -332.027
where: short stacking energy: -137.889
Base-Backbone interact. energy: -1.030
local terms energy: -129.908725
where:
bonds (distance) C4'-P energy: -21.968
bonds (distance) P-C4' energy: -27.426
flat angles C4'-P-C4' energy: -28.047
flat angles P-C4'-P energy: -17.299
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: 9, replica: 10
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -320.562772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.562772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.562772 (E_RNA)
where:
Base-Base interactions energy: -208.019
where: short stacking energy: -99.771
Base-Backbone interact. energy: -0.372
local terms energy: -112.172385
where:
bonds (distance) C4'-P energy: -22.416
bonds (distance) P-C4' energy: -30.765
flat angles C4'-P-C4' energy: -29.004
flat angles P-C4'-P energy: -14.198
tors. eta vs tors. theta energy: -15.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -163.739810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.739810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.739810 (E_RNA)
where:
Base-Base interactions energy: -69.505
where: short stacking energy: -59.827
Base-Backbone interact. energy: -0.353
local terms energy: -93.882395
where:
bonds (distance) C4'-P energy: -25.209
bonds (distance) P-C4' energy: -34.749
flat angles C4'-P-C4' energy: -22.921
flat angles P-C4'-P energy: -15.992
tors. eta vs tors. theta energy: 4.988
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: 2
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -608.600592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.600592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.600592 (E_RNA)
where:
Base-Base interactions energy: -423.595
where: short stacking energy: -180.826
Base-Backbone interact. energy: -0.309
local terms energy: -184.697264
where:
bonds (distance) C4'-P energy: -34.950
bonds (distance) P-C4' energy: -36.297
flat angles C4'-P-C4' energy: -42.157
flat angles P-C4'-P energy: -23.773
tors. eta vs tors. theta energy: -47.520
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: 1
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -588.865949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.865949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.865949 (E_RNA)
where:
Base-Base interactions energy: -415.157
where: short stacking energy: -162.215
Base-Backbone interact. energy: -1.551
local terms energy: -172.158280
where:
bonds (distance) C4'-P energy: -34.215
bonds (distance) P-C4' energy: -31.562
flat angles C4'-P-C4' energy: -35.644
flat angles P-C4'-P energy: -25.820
tors. eta vs tors. theta energy: -44.918
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: 9
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -559.661108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.661108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.661108 (E_RNA)
where:
Base-Base interactions energy: -386.733
where: short stacking energy: -164.232
Base-Backbone interact. energy: -0.102
local terms energy: -172.826487
where:
bonds (distance) C4'-P energy: -31.404
bonds (distance) P-C4' energy: -22.598
flat angles C4'-P-C4' energy: -42.589
flat angles P-C4'-P energy: -24.595
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: 6
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -548.482661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.482661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.482661 (E_RNA)
where:
Base-Base interactions energy: -380.326
where: short stacking energy: -166.762
Base-Backbone interact. energy: 0.124
local terms energy: -168.280582
where:
bonds (distance) C4'-P energy: -31.467
bonds (distance) P-C4' energy: -32.853
flat angles C4'-P-C4' energy: -34.121
flat angles P-C4'-P energy: -24.550
tors. eta vs tors. theta energy: -45.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -508.038082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.038082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.038082 (E_RNA)
where:
Base-Base interactions energy: -359.896
where: short stacking energy: -133.955
Base-Backbone interact. energy: -1.369
local terms energy: -146.773177
where:
bonds (distance) C4'-P energy: -31.475
bonds (distance) P-C4' energy: -30.835
flat angles C4'-P-C4' energy: -28.263
flat angles P-C4'-P energy: -26.954
tors. eta vs tors. theta energy: -29.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -489.827536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.827536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.827536 (E_RNA)
where:
Base-Base interactions energy: -330.586
where: short stacking energy: -147.845
Base-Backbone interact. energy: -0.436
local terms energy: -158.805951
where:
bonds (distance) C4'-P energy: -32.490
bonds (distance) P-C4' energy: -33.619
flat angles C4'-P-C4' energy: -27.378
flat angles P-C4'-P energy: -23.478
tors. eta vs tors. theta energy: -41.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -361.122247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.122247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.122247 (E_RNA)
where:
Base-Base interactions energy: -221.107
where: short stacking energy: -112.072
Base-Backbone interact. energy: 0.520
local terms energy: -140.535293
where:
bonds (distance) C4'-P energy: -29.372
bonds (distance) P-C4' energy: -37.586
flat angles C4'-P-C4' energy: -34.330
flat angles P-C4'-P energy: -17.143
tors. eta vs tors. theta energy: -22.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -435.386992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.386992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.386992 (E_RNA)
where:
Base-Base interactions energy: -290.576
where: short stacking energy: -130.702
Base-Backbone interact. energy: -0.340
local terms energy: -144.471080
where:
bonds (distance) C4'-P energy: -31.314
bonds (distance) P-C4' energy: -27.160
flat angles C4'-P-C4' energy: -35.380
flat angles P-C4'-P energy: -18.608
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: 9, replica: 10
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -325.659611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.659611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.659611 (E_RNA)
where:
Base-Base interactions energy: -207.864
where: short stacking energy: -105.579
Base-Backbone interact. energy: 0.567
local terms energy: -118.363059
where:
bonds (distance) C4'-P energy: -34.369
bonds (distance) P-C4' energy: -31.970
flat angles C4'-P-C4' energy: -24.008
flat angles P-C4'-P energy: -12.689
tors. eta vs tors. theta energy: -15.328
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: 3
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -158.278756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.278756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.278756 (E_RNA)
where:
Base-Base interactions energy: -58.257
where: short stacking energy: -51.828
Base-Backbone interact. energy: -0.454
local terms energy: -99.567843
where:
bonds (distance) C4'-P energy: -27.521
bonds (distance) P-C4' energy: -30.751
flat angles C4'-P-C4' energy: -29.720
flat angles P-C4'-P energy: -18.587
tors. eta vs tors. theta energy: 7.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -596.588478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.588478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.588478 (E_RNA)
where:
Base-Base interactions energy: -423.229
where: short stacking energy: -171.999
Base-Backbone interact. energy: 0.192
local terms energy: -173.550848
where:
bonds (distance) C4'-P energy: -37.488
bonds (distance) P-C4' energy: -31.215
flat angles C4'-P-C4' energy: -34.568
flat angles P-C4'-P energy: -25.935
tors. eta vs tors. theta energy: -44.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -593.594070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.594070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.594070 (E_RNA)
where:
Base-Base interactions energy: -414.143
where: short stacking energy: -185.400
Base-Backbone interact. energy: -0.949
local terms energy: -178.502123
where:
bonds (distance) C4'-P energy: -32.340
bonds (distance) P-C4' energy: -27.368
flat angles C4'-P-C4' energy: -41.304
flat angles P-C4'-P energy: -29.792
tors. eta vs tors. theta energy: -47.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -539.409267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.409267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.409267 (E_RNA)
where:
Base-Base interactions energy: -378.660
where: short stacking energy: -164.414
Base-Backbone interact. energy: -0.250
local terms energy: -160.499643
where:
bonds (distance) C4'-P energy: -27.205
bonds (distance) P-C4' energy: -32.672
flat angles C4'-P-C4' energy: -36.434
flat angles P-C4'-P energy: -24.574
tors. eta vs tors. theta energy: -39.615
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: 344
Temperature: 1.050000
Total energy: -545.238511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.238511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.238511 (E_RNA)
where:
Base-Base interactions energy: -369.825
where: short stacking energy: -172.386
Base-Backbone interact. energy: -1.353
local terms energy: -174.061027
where:
bonds (distance) C4'-P energy: -31.593
bonds (distance) P-C4' energy: -34.552
flat angles C4'-P-C4' energy: -37.065
flat angles P-C4'-P energy: -24.413
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: 5, replica: 5
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -527.679323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.679323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.679323 (E_RNA)
where:
Base-Base interactions energy: -373.072
where: short stacking energy: -172.361
Base-Backbone interact. energy: 0.187
local terms energy: -154.794320
where:
bonds (distance) C4'-P energy: -29.948
bonds (distance) P-C4' energy: -32.585
flat angles C4'-P-C4' energy: -31.434
flat angles P-C4'-P energy: -20.656
tors. eta vs tors. theta energy: -40.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -500.506222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.506222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.506222 (E_RNA)
where:
Base-Base interactions energy: -358.761
where: short stacking energy: -137.482
Base-Backbone interact. energy: -0.301
local terms energy: -141.444237
where:
bonds (distance) C4'-P energy: -25.948
bonds (distance) P-C4' energy: -36.808
flat angles C4'-P-C4' energy: -24.558
flat angles P-C4'-P energy: -15.821
tors. eta vs tors. theta energy: -38.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -466.509725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.509725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.509725 (E_RNA)
where:
Base-Base interactions energy: -320.386
where: short stacking energy: -145.650
Base-Backbone interact. energy: -0.063
local terms energy: -146.060569
where:
bonds (distance) C4'-P energy: -30.503
bonds (distance) P-C4' energy: -23.580
flat angles C4'-P-C4' energy: -35.119
flat angles P-C4'-P energy: -17.634
tors. eta vs tors. theta energy: -39.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -337.512812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.512812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.512812 (E_RNA)
where:
Base-Base interactions energy: -204.343
where: short stacking energy: -96.371
Base-Backbone interact. energy: -0.738
local terms energy: -132.432079
where:
bonds (distance) C4'-P energy: -26.759
bonds (distance) P-C4' energy: -35.170
flat angles C4'-P-C4' energy: -27.954
flat angles P-C4'-P energy: -22.438
tors. eta vs tors. theta energy: -20.110
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: 344
Temperature: 1.300000
Total energy: -347.690394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.690394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.690394 (E_RNA)
where:
Base-Base interactions energy: -226.047
where: short stacking energy: -119.068
Base-Backbone interact. energy: 0.246
local terms energy: -121.889596
where:
bonds (distance) C4'-P energy: -21.380
bonds (distance) P-C4' energy: -26.785
flat angles C4'-P-C4' energy: -33.927
flat angles P-C4'-P energy: -15.347
tors. eta vs tors. theta energy: -24.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -174.201573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.201573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.201573 (E_RNA)
where:
Base-Base interactions energy: -64.622
where: short stacking energy: -63.313
Base-Backbone interact. energy: 0.330
local terms energy: -109.909392
where:
bonds (distance) C4'-P energy: -32.990
bonds (distance) P-C4' energy: -29.935
flat angles C4'-P-C4' energy: -21.922
flat angles P-C4'-P energy: -21.402
tors. eta vs tors. theta energy: -3.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -610.321501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.321501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.321501 (E_RNA)
where:
Base-Base interactions energy: -427.517
where: short stacking energy: -176.580
Base-Backbone interact. energy: -2.327
local terms energy: -180.477893
where:
bonds (distance) C4'-P energy: -28.688
bonds (distance) P-C4' energy: -37.472
flat angles C4'-P-C4' energy: -38.023
flat angles P-C4'-P energy: -25.492
tors. eta vs tors. theta energy: -50.803
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: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -600.911950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.911950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.911950 (E_RNA)
where:
Base-Base interactions energy: -423.745
where: short stacking energy: -172.335
Base-Backbone interact. energy: -1.368
local terms energy: -175.799791
where:
bonds (distance) C4'-P energy: -31.721
bonds (distance) P-C4' energy: -31.140
flat angles C4'-P-C4' energy: -35.338
flat angles P-C4'-P energy: -28.076
tors. eta vs tors. theta energy: -49.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -551.167851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.167851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.167851 (E_RNA)
where:
Base-Base interactions energy: -382.681
where: short stacking energy: -166.495
Base-Backbone interact. energy: 0.011
local terms energy: -168.497962
where:
bonds (distance) C4'-P energy: -34.726
bonds (distance) P-C4' energy: -30.430
flat angles C4'-P-C4' energy: -36.168
flat angles P-C4'-P energy: -24.013
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: 4, replica: 9
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -552.763068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.763068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.763068 (E_RNA)
where:
Base-Base interactions energy: -376.140
where: short stacking energy: -168.601
Base-Backbone interact. energy: -1.674
local terms energy: -174.949160
where:
bonds (distance) C4'-P energy: -32.391
bonds (distance) P-C4' energy: -30.966
flat angles C4'-P-C4' energy: -40.216
flat angles P-C4'-P energy: -25.617
tors. eta vs tors. theta energy: -45.759
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: 5, replica: 5
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -527.847600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.847600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.847600 (E_RNA)
where:
Base-Base interactions energy: -370.025
where: short stacking energy: -168.184
Base-Backbone interact. energy: -0.256
local terms energy: -157.566890
where:
bonds (distance) C4'-P energy: -24.938
bonds (distance) P-C4' energy: -33.439
flat angles C4'-P-C4' energy: -27.919
flat angles P-C4'-P energy: -24.752
tors. eta vs tors. theta energy: -46.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -531.913241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.913241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.913241 (E_RNA)
where:
Base-Base interactions energy: -369.280
where: short stacking energy: -152.850
Base-Backbone interact. energy: 0.481
local terms energy: -163.113830
where:
bonds (distance) C4'-P energy: -33.261
bonds (distance) P-C4' energy: -26.542
flat angles C4'-P-C4' energy: -40.883
flat angles P-C4'-P energy: -26.418
tors. eta vs tors. theta energy: -36.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -421.510138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.510138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.510138 (E_RNA)
where:
Base-Base interactions energy: -294.824
where: short stacking energy: -121.074
Base-Backbone interact. energy: -1.272
local terms energy: -125.414182
where:
bonds (distance) C4'-P energy: -29.575
bonds (distance) P-C4' energy: -32.765
flat angles C4'-P-C4' energy: -26.689
flat angles P-C4'-P energy: -15.140
tors. eta vs tors. theta energy: -21.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -350.419322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.419322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.419322 (E_RNA)
where:
Base-Base interactions energy: -224.283
where: short stacking energy: -107.746
Base-Backbone interact. energy: -0.116
local terms energy: -126.019598
where:
bonds (distance) C4'-P energy: -31.599
bonds (distance) P-C4' energy: -26.624
flat angles C4'-P-C4' energy: -29.465
flat angles P-C4'-P energy: -19.965
tors. eta vs tors. theta energy: -18.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -340.951978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.951978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.951978 (E_RNA)
where:
Base-Base interactions energy: -212.437
where: short stacking energy: -112.197
Base-Backbone interact. energy: -0.481
local terms energy: -128.034273
where:
bonds (distance) C4'-P energy: -29.274
bonds (distance) P-C4' energy: -32.732
flat angles C4'-P-C4' energy: -28.829
flat angles P-C4'-P energy: -14.477
tors. eta vs tors. theta energy: -22.722
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: 10, replica: 3
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -170.714148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.714148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.714148 (E_RNA)
where:
Base-Base interactions energy: -61.993
where: short stacking energy: -51.907
Base-Backbone interact. energy: -1.313
local terms energy: -107.408633
where:
bonds (distance) C4'-P energy: -26.461
bonds (distance) P-C4' energy: -32.598
flat angles C4'-P-C4' energy: -25.060
flat angles P-C4'-P energy: -18.990
tors. eta vs tors. theta energy: -4.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -610.017840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.017840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.017840 (E_RNA)
where:
Base-Base interactions energy: -420.726
where: short stacking energy: -169.376
Base-Backbone interact. energy: -1.413
local terms energy: -187.879565
where:
bonds (distance) C4'-P energy: -38.799
bonds (distance) P-C4' energy: -34.143
flat angles C4'-P-C4' energy: -41.825
flat angles P-C4'-P energy: -24.419
tors. eta vs tors. theta energy: -48.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -602.887845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.887845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.887845 (E_RNA)
where:
Base-Base interactions energy: -423.018
where: short stacking energy: -173.971
Base-Backbone interact. energy: -0.834
local terms energy: -179.035781
where:
bonds (distance) C4'-P energy: -35.367
bonds (distance) P-C4' energy: -30.812
flat angles C4'-P-C4' energy: -35.705
flat angles P-C4'-P energy: -25.513
tors. eta vs tors. theta energy: -51.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -550.625554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.625554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.625554 (E_RNA)
where:
Base-Base interactions energy: -370.570
where: short stacking energy: -168.492
Base-Backbone interact. energy: -1.752
local terms energy: -178.303343
where:
bonds (distance) C4'-P energy: -35.748
bonds (distance) P-C4' energy: -32.161
flat angles C4'-P-C4' energy: -40.908
flat angles P-C4'-P energy: -21.362
tors. eta vs tors. theta energy: -48.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -535.122585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.122585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.122585 (E_RNA)
where:
Base-Base interactions energy: -363.794
where: short stacking energy: -161.467
Base-Backbone interact. energy: -0.267
local terms energy: -171.060888
where:
bonds (distance) C4'-P energy: -30.018
bonds (distance) P-C4' energy: -35.365
flat angles C4'-P-C4' energy: -35.803
flat angles P-C4'-P energy: -28.048
tors. eta vs tors. theta energy: -41.827
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: 8
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -550.072605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.072605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.072605 (E_RNA)
where:
Base-Base interactions energy: -388.437
where: short stacking energy: -153.372
Base-Backbone interact. energy: -0.160
local terms energy: -161.475028
where:
bonds (distance) C4'-P energy: -32.113
bonds (distance) P-C4' energy: -32.300
flat angles C4'-P-C4' energy: -31.739
flat angles P-C4'-P energy: -26.390
tors. eta vs tors. theta energy: -38.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -521.610246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.610246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.610246 (E_RNA)
where:
Base-Base interactions energy: -368.909
where: short stacking energy: -167.595
Base-Backbone interact. energy: -0.646
local terms energy: -152.055179
where:
bonds (distance) C4'-P energy: -25.391
bonds (distance) P-C4' energy: -23.336
flat angles C4'-P-C4' energy: -32.906
flat angles P-C4'-P energy: -24.077
tors. eta vs tors. theta energy: -46.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -440.966915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.966915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.966915 (E_RNA)
where:
Base-Base interactions energy: -301.348
where: short stacking energy: -131.092
Base-Backbone interact. energy: 0.057
local terms energy: -139.676014
where:
bonds (distance) C4'-P energy: -29.648
bonds (distance) P-C4' energy: -34.613
flat angles C4'-P-C4' energy: -21.454
flat angles P-C4'-P energy: -19.501
tors. eta vs tors. theta energy: -34.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -373.205464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.205464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.205464 (E_RNA)
where:
Base-Base interactions energy: -243.335
where: short stacking energy: -109.250
Base-Backbone interact. energy: -0.407
local terms energy: -129.463382
where:
bonds (distance) C4'-P energy: -31.089
bonds (distance) P-C4' energy: -22.332
flat angles C4'-P-C4' energy: -36.093
flat angles P-C4'-P energy: -18.899
tors. eta vs tors. theta energy: -21.051
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: 4
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -344.012704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.012704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.012704 (E_RNA)
where:
Base-Base interactions energy: -228.323
where: short stacking energy: -102.151
Base-Backbone interact. energy: 0.370
local terms energy: -116.059750
where:
bonds (distance) C4'-P energy: -30.504
bonds (distance) P-C4' energy: -20.820
flat angles C4'-P-C4' energy: -23.904
flat angles P-C4'-P energy: -17.827
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: 10, replica: 3
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -171.565943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.565943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.565943 (E_RNA)
where:
Base-Base interactions energy: -84.473
where: short stacking energy: -71.829
Base-Backbone interact. energy: 1.482
local terms energy: -88.575419
where:
bonds (distance) C4'-P energy: -28.303
bonds (distance) P-C4' energy: -10.038
flat angles C4'-P-C4' energy: -25.976
flat angles P-C4'-P energy: -16.654
tors. eta vs tors. theta energy: -7.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -607.488311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.488311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.488311 (E_RNA)
where:
Base-Base interactions energy: -436.828
where: short stacking energy: -167.759
Base-Backbone interact. energy: -1.195
local terms energy: -169.465341
where:
bonds (distance) C4'-P energy: -34.058
bonds (distance) P-C4' energy: -36.866
flat angles C4'-P-C4' energy: -35.835
flat angles P-C4'-P energy: -23.808
tors. eta vs tors. theta energy: -38.898
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: 2
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -593.813029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.813029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.813029 (E_RNA)
where:
Base-Base interactions energy: -413.645
where: short stacking energy: -179.076
Base-Backbone interact. energy: -1.517
local terms energy: -178.651660
where:
bonds (distance) C4'-P energy: -22.115
bonds (distance) P-C4' energy: -38.644
flat angles C4'-P-C4' energy: -43.369
flat angles P-C4'-P energy: -25.787
tors. eta vs tors. theta energy: -48.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -544.199718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.199718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.199718 (E_RNA)
where:
Base-Base interactions energy: -372.427
where: short stacking energy: -168.968
Base-Backbone interact. energy: -0.116
local terms energy: -171.656595
where:
bonds (distance) C4'-P energy: -34.377
bonds (distance) P-C4' energy: -35.902
flat angles C4'-P-C4' energy: -34.019
flat angles P-C4'-P energy: -28.471
tors. eta vs tors. theta energy: -38.888
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: 8
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -543.985580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.985580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.985580 (E_RNA)
where:
Base-Base interactions energy: -372.808
where: short stacking energy: -148.354
Base-Backbone interact. energy: -1.676
local terms energy: -169.500977
where:
bonds (distance) C4'-P energy: -27.796
bonds (distance) P-C4' energy: -36.065
flat angles C4'-P-C4' energy: -40.450
flat angles P-C4'-P energy: -22.614
tors. eta vs tors. theta energy: -42.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -507.258126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.258126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.258126 (E_RNA)
where:
Base-Base interactions energy: -352.958
where: short stacking energy: -146.130
Base-Backbone interact. energy: -1.046
local terms energy: -153.254438
where:
bonds (distance) C4'-P energy: -25.977
bonds (distance) P-C4' energy: -34.680
flat angles C4'-P-C4' energy: -33.667
flat angles P-C4'-P energy: -21.485
tors. eta vs tors. theta energy: -37.445
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: 7
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -491.041362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.041362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.041362 (E_RNA)
where:
Base-Base interactions energy: -359.473
where: short stacking energy: -144.138
Base-Backbone interact. energy: -0.158
local terms energy: -131.410704
where:
bonds (distance) C4'-P energy: -25.073
bonds (distance) P-C4' energy: -25.334
flat angles C4'-P-C4' energy: -34.590
flat angles P-C4'-P energy: -14.329
tors. eta vs tors. theta energy: -32.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -479.512842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.512842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.512842 (E_RNA)
where:
Base-Base interactions energy: -333.026
where: short stacking energy: -148.563
Base-Backbone interact. energy: 2.707
local terms energy: -149.193892
where:
bonds (distance) C4'-P energy: -25.954
bonds (distance) P-C4' energy: -36.456
flat angles C4'-P-C4' energy: -21.870
flat angles P-C4'-P energy: -18.358
tors. eta vs tors. theta energy: -46.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -365.542108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.542108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.542108 (E_RNA)
where:
Base-Base interactions energy: -242.514
where: short stacking energy: -109.040
Base-Backbone interact. energy: -0.031
local terms energy: -122.996389
where:
bonds (distance) C4'-P energy: -32.973
bonds (distance) P-C4' energy: -30.582
flat angles C4'-P-C4' energy: -34.166
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -12.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -332.791087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.791087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.791087 (E_RNA)
where:
Base-Base interactions energy: -220.479
where: short stacking energy: -104.586
Base-Backbone interact. energy: 1.534
local terms energy: -113.845702
where:
bonds (distance) C4'-P energy: -23.149
bonds (distance) P-C4' energy: -24.594
flat angles C4'-P-C4' energy: -25.290
flat angles P-C4'-P energy: -21.042
tors. eta vs tors. theta energy: -19.771
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: 3
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -197.043192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.043192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.043192 (E_RNA)
where:
Base-Base interactions energy: -101.580
where: short stacking energy: -51.537
Base-Backbone interact. energy: -0.161
local terms energy: -95.302180
where:
bonds (distance) C4'-P energy: -23.527
bonds (distance) P-C4' energy: -28.408
flat angles C4'-P-C4' energy: -27.495
flat angles P-C4'-P energy: -15.276
tors. eta vs tors. theta energy: -0.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -604.944447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.944447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.944447 (E_RNA)
where:
Base-Base interactions energy: -422.589
where: short stacking energy: -182.391
Base-Backbone interact. energy: 2.158
local terms energy: -184.513061
where:
bonds (distance) C4'-P energy: -30.320
bonds (distance) P-C4' energy: -38.546
flat angles C4'-P-C4' energy: -36.221
flat angles P-C4'-P energy: -29.805
tors. eta vs tors. theta energy: -49.622
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: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -576.068062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.068062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.068062 (E_RNA)
where:
Base-Base interactions energy: -410.826
where: short stacking energy: -153.841
Base-Backbone interact. energy: -1.302
local terms energy: -163.940826
where:
bonds (distance) C4'-P energy: -33.956
bonds (distance) P-C4' energy: -33.367
flat angles C4'-P-C4' energy: -36.853
flat angles P-C4'-P energy: -17.892
tors. eta vs tors. theta energy: -41.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -561.586019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.586019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.586019 (E_RNA)
where:
Base-Base interactions energy: -399.160
where: short stacking energy: -172.361
Base-Backbone interact. energy: -0.874
local terms energy: -161.551469
where:
bonds (distance) C4'-P energy: -29.335
bonds (distance) P-C4' energy: -30.161
flat angles C4'-P-C4' energy: -35.607
flat angles P-C4'-P energy: -20.446
tors. eta vs tors. theta energy: -46.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -527.170327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.170327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.170327 (E_RNA)
where:
Base-Base interactions energy: -358.037
where: short stacking energy: -159.287
Base-Backbone interact. energy: -0.025
local terms energy: -169.108117
where:
bonds (distance) C4'-P energy: -31.211
bonds (distance) P-C4' energy: -38.371
flat angles C4'-P-C4' energy: -34.299
flat angles P-C4'-P energy: -22.491
tors. eta vs tors. theta energy: -42.735
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: 9
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -528.444347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.444347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.444347 (E_RNA)
where:
Base-Base interactions energy: -372.388
where: short stacking energy: -168.207
Base-Backbone interact. energy: -0.526
local terms energy: -155.530588
where:
bonds (distance) C4'-P energy: -26.505
bonds (distance) P-C4' energy: -31.553
flat angles C4'-P-C4' energy: -31.680
flat angles P-C4'-P energy: -22.252
tors. eta vs tors. theta energy: -43.540
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: 348
Temperature: 1.150000
Total energy: -501.310266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.310266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.310266 (E_RNA)
where:
Base-Base interactions energy: -354.611
where: short stacking energy: -146.577
Base-Backbone interact. energy: -0.700
local terms energy: -145.998469
where:
bonds (distance) C4'-P energy: -27.708
bonds (distance) P-C4' energy: -28.198
flat angles C4'-P-C4' energy: -32.127
flat angles P-C4'-P energy: -20.993
tors. eta vs tors. theta energy: -36.972
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: 5
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -439.577678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.577678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.577678 (E_RNA)
where:
Base-Base interactions energy: -285.861
where: short stacking energy: -132.661
Base-Backbone interact. energy: -0.563
local terms energy: -153.154343
where:
bonds (distance) C4'-P energy: -29.372
bonds (distance) P-C4' energy: -36.140
flat angles C4'-P-C4' energy: -33.271
flat angles P-C4'-P energy: -21.319
tors. eta vs tors. theta energy: -33.051
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: 10
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -359.095711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.095711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.095711 (E_RNA)
where:
Base-Base interactions energy: -227.624
where: short stacking energy: -113.177
Base-Backbone interact. energy: -0.311
local terms energy: -131.160812
where:
bonds (distance) C4'-P energy: -25.753
bonds (distance) P-C4' energy: -31.367
flat angles C4'-P-C4' energy: -28.281
flat angles P-C4'-P energy: -24.979
tors. eta vs tors. theta energy: -20.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -321.806631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.806631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.806631 (E_RNA)
where:
Base-Base interactions energy: -215.022
where: short stacking energy: -105.309
Base-Backbone interact. energy: -0.517
local terms energy: -106.267306
where:
bonds (distance) C4'-P energy: -21.275
bonds (distance) P-C4' energy: -20.765
flat angles C4'-P-C4' energy: -28.529
flat angles P-C4'-P energy: -20.490
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: 10, replica: 3
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -196.260878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.260878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.260878 (E_RNA)
where:
Base-Base interactions energy: -100.210
where: short stacking energy: -55.525
Base-Backbone interact. energy: -0.911
local terms energy: -95.139760
where:
bonds (distance) C4'-P energy: -29.062
bonds (distance) P-C4' energy: -24.433
flat angles C4'-P-C4' energy: -25.702
flat angles P-C4'-P energy: -17.255
tors. eta vs tors. theta energy: 1.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -605.118680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.118680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.118680 (E_RNA)
where:
Base-Base interactions energy: -420.825
where: short stacking energy: -180.867
Base-Backbone interact. energy: -1.897
local terms energy: -182.396238
where:
bonds (distance) C4'-P energy: -36.149
bonds (distance) P-C4' energy: -34.218
flat angles C4'-P-C4' energy: -37.708
flat angles P-C4'-P energy: -27.765
tors. eta vs tors. theta energy: -46.556
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: 2, replica: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -587.844819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.844819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.844819 (E_RNA)
where:
Base-Base interactions energy: -417.860
where: short stacking energy: -166.508
Base-Backbone interact. energy: -0.868
local terms energy: -169.116648
where:
bonds (distance) C4'-P energy: -29.229
bonds (distance) P-C4' energy: -40.540
flat angles C4'-P-C4' energy: -34.810
flat angles P-C4'-P energy: -21.959
tors. eta vs tors. theta energy: -42.579
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: 8
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -563.256752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.256752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.256752 (E_RNA)
where:
Base-Base interactions energy: -387.442
where: short stacking energy: -163.724
Base-Backbone interact. energy: -2.044
local terms energy: -173.770691
where:
bonds (distance) C4'-P energy: -31.566
bonds (distance) P-C4' energy: -37.500
flat angles C4'-P-C4' energy: -36.538
flat angles P-C4'-P energy: -26.642
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: 4, replica: 9
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -546.201603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.201603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.201603 (E_RNA)
where:
Base-Base interactions energy: -376.558
where: short stacking energy: -163.339
Base-Backbone interact. energy: -1.717
local terms energy: -167.927105
where:
bonds (distance) C4'-P energy: -29.487
bonds (distance) P-C4' energy: -36.590
flat angles C4'-P-C4' energy: -32.300
flat angles P-C4'-P energy: -25.431
tors. eta vs tors. theta energy: -44.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -505.701229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.701229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.701229 (E_RNA)
where:
Base-Base interactions energy: -355.625
where: short stacking energy: -156.084
Base-Backbone interact. energy: -0.097
local terms energy: -149.979344
where:
bonds (distance) C4'-P energy: -31.666
bonds (distance) P-C4' energy: -33.291
flat angles C4'-P-C4' energy: -24.176
flat angles P-C4'-P energy: -17.080
tors. eta vs tors. theta energy: -43.766
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: 5
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -503.023979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.023979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.023979 (E_RNA)
where:
Base-Base interactions energy: -348.652
where: short stacking energy: -142.138
Base-Backbone interact. energy: -0.301
local terms energy: -154.070802
where:
bonds (distance) C4'-P energy: -23.985
bonds (distance) P-C4' energy: -34.058
flat angles C4'-P-C4' energy: -37.356
flat angles P-C4'-P energy: -19.678
tors. eta vs tors. theta energy: -38.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -486.672393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.672393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.672393 (E_RNA)
where:
Base-Base interactions energy: -342.729
where: short stacking energy: -137.839
Base-Backbone interact. energy: -1.051
local terms energy: -142.892749
where:
bonds (distance) C4'-P energy: -25.509
bonds (distance) P-C4' energy: -34.924
flat angles C4'-P-C4' energy: -26.704
flat angles P-C4'-P energy: -19.396
tors. eta vs tors. theta energy: -36.359
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: 8, replica: 10
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -334.778078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.778078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.778078 (E_RNA)
where:
Base-Base interactions energy: -215.721
where: short stacking energy: -85.082
Base-Backbone interact. energy: -0.821
local terms energy: -118.236487
where:
bonds (distance) C4'-P energy: -31.704
bonds (distance) P-C4' energy: -28.979
flat angles C4'-P-C4' energy: -24.523
flat angles P-C4'-P energy: -18.258
tors. eta vs tors. theta energy: -14.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -328.915669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.915669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.915669 (E_RNA)
where:
Base-Base interactions energy: -208.374
where: short stacking energy: -94.161
Base-Backbone interact. energy: -0.371
local terms energy: -120.171197
where:
bonds (distance) C4'-P energy: -28.071
bonds (distance) P-C4' energy: -26.953
flat angles C4'-P-C4' energy: -27.508
flat angles P-C4'-P energy: -19.220
tors. eta vs tors. theta energy: -18.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -159.326954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.326954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.326954 (E_RNA)
where:
Base-Base interactions energy: -62.026
where: short stacking energy: -50.752
Base-Backbone interact. energy: 0.087
local terms energy: -97.388128
where:
bonds (distance) C4'-P energy: -27.848
bonds (distance) P-C4' energy: -34.027
flat angles C4'-P-C4' energy: -19.178
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -3.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -603.292747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.292747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.292747 (E_RNA)
where:
Base-Base interactions energy: -431.006
where: short stacking energy: -161.314
Base-Backbone interact. energy: -0.664
local terms energy: -171.622747
where:
bonds (distance) C4'-P energy: -32.283
bonds (distance) P-C4' energy: -36.623
flat angles C4'-P-C4' energy: -32.953
flat angles P-C4'-P energy: -25.367
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: 2, replica: 1
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -613.054290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.054290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.054290 (E_RNA)
where:
Base-Base interactions energy: -427.214
where: short stacking energy: -176.026
Base-Backbone interact. energy: -0.018
local terms energy: -185.821747
where:
bonds (distance) C4'-P energy: -37.661
bonds (distance) P-C4' energy: -35.437
flat angles C4'-P-C4' energy: -40.655
flat angles P-C4'-P energy: -28.028
tors. eta vs tors. theta energy: -44.041
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: 8
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -571.882639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.882639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.882639 (E_RNA)
where:
Base-Base interactions energy: -397.219
where: short stacking energy: -146.215
Base-Backbone interact. energy: -1.079
local terms energy: -173.585025
where:
bonds (distance) C4'-P energy: -36.663
bonds (distance) P-C4' energy: -33.602
flat angles C4'-P-C4' energy: -35.688
flat angles P-C4'-P energy: -26.958
tors. eta vs tors. theta energy: -40.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -555.698769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.698769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.698769 (E_RNA)
where:
Base-Base interactions energy: -389.923
where: short stacking energy: -180.750
Base-Backbone interact. energy: 0.309
local terms energy: -166.085127
where:
bonds (distance) C4'-P energy: -26.196
bonds (distance) P-C4' energy: -29.654
flat angles C4'-P-C4' energy: -38.372
flat angles P-C4'-P energy: -23.859
tors. eta vs tors. theta energy: -48.004
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: 350
Temperature: 1.100000
Total energy: -520.490317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.490317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.490317 (E_RNA)
where:
Base-Base interactions energy: -350.746
where: short stacking energy: -143.935
Base-Backbone interact. energy: 1.410
local terms energy: -171.154471
where:
bonds (distance) C4'-P energy: -36.500
bonds (distance) P-C4' energy: -35.970
flat angles C4'-P-C4' energy: -39.703
flat angles P-C4'-P energy: -20.329
tors. eta vs tors. theta energy: -38.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -486.398769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.398769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.398769 (E_RNA)
where:
Base-Base interactions energy: -340.276
where: short stacking energy: -154.639
Base-Backbone interact. energy: -1.122
local terms energy: -145.001038
where:
bonds (distance) C4'-P energy: -33.917
bonds (distance) P-C4' energy: -26.879
flat angles C4'-P-C4' energy: -31.131
flat angles P-C4'-P energy: -13.763
tors. eta vs tors. theta energy: -39.312
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: 7
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -481.585249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.585249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.585249 (E_RNA)
where:
Base-Base interactions energy: -357.137
where: short stacking energy: -139.935
Base-Backbone interact. energy: -0.461
local terms energy: -123.986816
where:
bonds (distance) C4'-P energy: -22.169
bonds (distance) P-C4' energy: -30.689
flat angles C4'-P-C4' energy: -27.830
flat angles P-C4'-P energy: -14.435
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: 8, replica: 10
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -372.597200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.597200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.597200 (E_RNA)
where:
Base-Base interactions energy: -238.951
where: short stacking energy: -107.180
Base-Backbone interact. energy: -0.476
local terms energy: -133.170182
where:
bonds (distance) C4'-P energy: -29.753
bonds (distance) P-C4' energy: -33.914
flat angles C4'-P-C4' energy: -29.183
flat angles P-C4'-P energy: -18.089
tors. eta vs tors. theta energy: -22.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -327.918097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.918097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.918097 (E_RNA)
where:
Base-Base interactions energy: -208.676
where: short stacking energy: -100.844
Base-Backbone interact. energy: -1.242
local terms energy: -118.000497
where:
bonds (distance) C4'-P energy: -31.057
bonds (distance) P-C4' energy: -21.731
flat angles C4'-P-C4' energy: -30.909
flat angles P-C4'-P energy: -23.373
tors. eta vs tors. theta energy: -10.931
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: 3
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -162.292206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.292206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.292206 (E_RNA)
where:
Base-Base interactions energy: -51.735
where: short stacking energy: -39.862
Base-Backbone interact. energy: -1.257
local terms energy: -109.299347
where:
bonds (distance) C4'-P energy: -25.060
bonds (distance) P-C4' energy: -36.815
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -21.725
tors. eta vs tors. theta energy: -7.557
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: 1, replica: 2
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -614.858807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.858807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.858807 (E_RNA)
where:
Base-Base interactions energy: -437.368
where: short stacking energy: -173.577
Base-Backbone interact. energy: -1.619
local terms energy: -175.871379
where:
bonds (distance) C4'-P energy: -34.407
bonds (distance) P-C4' energy: -34.586
flat angles C4'-P-C4' energy: -35.924
flat angles P-C4'-P energy: -23.168
tors. eta vs tors. theta energy: -47.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -602.924987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.924987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.924987 (E_RNA)
where:
Base-Base interactions energy: -440.607
where: short stacking energy: -174.794
Base-Backbone interact. energy: -0.164
local terms energy: -162.154760
where:
bonds (distance) C4'-P energy: -31.103
bonds (distance) P-C4' energy: -27.746
flat angles C4'-P-C4' energy: -33.508
flat angles P-C4'-P energy: -25.336
tors. eta vs tors. theta energy: -44.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -562.219586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.219586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.219586 (E_RNA)
where:
Base-Base interactions energy: -404.015
where: short stacking energy: -165.183
Base-Backbone interact. energy: -1.050
local terms energy: -157.154665
where:
bonds (distance) C4'-P energy: -28.956
bonds (distance) P-C4' energy: -31.311
flat angles C4'-P-C4' energy: -36.879
flat angles P-C4'-P energy: -22.382
tors. eta vs tors. theta energy: -37.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -520.662429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.662429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.662429 (E_RNA)
where:
Base-Base interactions energy: -369.410
where: short stacking energy: -160.331
Base-Backbone interact. energy: 0.903
local terms energy: -152.155098
where:
bonds (distance) C4'-P energy: -27.052
bonds (distance) P-C4' energy: -34.270
flat angles C4'-P-C4' energy: -34.406
flat angles P-C4'-P energy: -15.297
tors. eta vs tors. theta energy: -41.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -547.364998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.364998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.364998 (E_RNA)
where:
Base-Base interactions energy: -361.273
where: short stacking energy: -165.548
Base-Backbone interact. energy: -0.033
local terms energy: -186.058608
where:
bonds (distance) C4'-P energy: -33.805
bonds (distance) P-C4' energy: -40.078
flat angles C4'-P-C4' energy: -34.659
flat angles P-C4'-P energy: -31.863
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: 6, replica: 7
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -495.461244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.461244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.461244 (E_RNA)
where:
Base-Base interactions energy: -342.530
where: short stacking energy: -149.324
Base-Backbone interact. energy: -0.368
local terms energy: -152.562919
where:
bonds (distance) C4'-P energy: -26.562
bonds (distance) P-C4' energy: -31.362
flat angles C4'-P-C4' energy: -34.866
flat angles P-C4'-P energy: -21.291
tors. eta vs tors. theta energy: -38.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -481.960093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.960093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.960093 (E_RNA)
where:
Base-Base interactions energy: -328.090
where: short stacking energy: -153.216
Base-Backbone interact. energy: -0.144
local terms energy: -153.726104
where:
bonds (distance) C4'-P energy: -21.538
bonds (distance) P-C4' energy: -32.193
flat angles C4'-P-C4' energy: -36.428
flat angles P-C4'-P energy: -18.589
tors. eta vs tors. theta energy: -44.978
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: 10
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -353.244918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.244918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.244918 (E_RNA)
where:
Base-Base interactions energy: -215.098
where: short stacking energy: -95.366
Base-Backbone interact. energy: -0.191
local terms energy: -137.956090
where:
bonds (distance) C4'-P energy: -36.934
bonds (distance) P-C4' energy: -28.052
flat angles C4'-P-C4' energy: -31.969
flat angles P-C4'-P energy: -26.508
tors. eta vs tors. theta energy: -14.493
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: 4
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -350.373081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.373081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.373081 (E_RNA)
where:
Base-Base interactions energy: -209.279
where: short stacking energy: -104.993
Base-Backbone interact. energy: 0.848
local terms energy: -141.942526
where:
bonds (distance) C4'-P energy: -37.624
bonds (distance) P-C4' energy: -28.589
flat angles C4'-P-C4' energy: -30.225
flat angles P-C4'-P energy: -23.002
tors. eta vs tors. theta energy: -22.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -167.695368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.695368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.695368 (E_RNA)
where:
Base-Base interactions energy: -59.835
where: short stacking energy: -48.926
Base-Backbone interact. energy: -0.196
local terms energy: -107.664365
where:
bonds (distance) C4'-P energy: -33.630
bonds (distance) P-C4' energy: -31.793
flat angles C4'-P-C4' energy: -27.531
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -1.018
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: 352
Temperature: 0.900000
Total energy: -619.558053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.558053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.558053 (E_RNA)
where:
Base-Base interactions energy: -434.902
where: short stacking energy: -183.051
Base-Backbone interact. energy: -0.925
local terms energy: -183.730713
where:
bonds (distance) C4'-P energy: -35.240
bonds (distance) P-C4' energy: -35.643
flat angles C4'-P-C4' energy: -35.797
flat angles P-C4'-P energy: -24.490
tors. eta vs tors. theta energy: -52.561
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: 1
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -596.209720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.209720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.209720 (E_RNA)
where:
Base-Base interactions energy: -414.006
where: short stacking energy: -169.966
Base-Backbone interact. energy: -2.221
local terms energy: -179.982068
where:
bonds (distance) C4'-P energy: -35.647
bonds (distance) P-C4' energy: -35.007
flat angles C4'-P-C4' energy: -35.441
flat angles P-C4'-P energy: -26.875
tors. eta vs tors. theta energy: -47.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -588.079275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.079275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.079275 (E_RNA)
where:
Base-Base interactions energy: -410.343
where: short stacking energy: -169.301
Base-Backbone interact. energy: -2.635
local terms energy: -175.101446
where:
bonds (distance) C4'-P energy: -37.821
bonds (distance) P-C4' energy: -32.452
flat angles C4'-P-C4' energy: -38.377
flat angles P-C4'-P energy: -20.181
tors. eta vs tors. theta energy: -46.271
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: 6
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -524.741195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.741195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.741195 (E_RNA)
where:
Base-Base interactions energy: -360.722
where: short stacking energy: -162.899
Base-Backbone interact. energy: -0.544
local terms energy: -163.475083
where:
bonds (distance) C4'-P energy: -31.081
bonds (distance) P-C4' energy: -28.453
flat angles C4'-P-C4' energy: -33.077
flat angles P-C4'-P energy: -27.823
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: 9
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -524.973792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.973792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.973792 (E_RNA)
where:
Base-Base interactions energy: -362.113
where: short stacking energy: -153.496
Base-Backbone interact. energy: 0.602
local terms energy: -163.462496
where:
bonds (distance) C4'-P energy: -32.726
bonds (distance) P-C4' energy: -28.903
flat angles C4'-P-C4' energy: -36.204
flat angles P-C4'-P energy: -23.321
tors. eta vs tors. theta energy: -42.308
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: 7
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -492.300166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.300166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.300166 (E_RNA)
where:
Base-Base interactions energy: -338.224
where: short stacking energy: -148.267
Base-Backbone interact. energy: 0.380
local terms energy: -154.455934
where:
bonds (distance) C4'-P energy: -28.618
bonds (distance) P-C4' energy: -35.004
flat angles C4'-P-C4' energy: -33.207
flat angles P-C4'-P energy: -25.647
tors. eta vs tors. theta energy: -31.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -481.867123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.867123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.867123 (E_RNA)
where:
Base-Base interactions energy: -331.549
where: short stacking energy: -158.634
Base-Backbone interact. energy: -0.441
local terms energy: -149.876592
where:
bonds (distance) C4'-P energy: -31.264
bonds (distance) P-C4' energy: -34.726
flat angles C4'-P-C4' energy: -31.476
flat angles P-C4'-P energy: -17.674
tors. eta vs tors. theta energy: -34.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -363.657650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.657650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.657650 (E_RNA)
where:
Base-Base interactions energy: -224.359
where: short stacking energy: -111.180
Base-Backbone interact. energy: -0.426
local terms energy: -138.872554
where:
bonds (distance) C4'-P energy: -25.415
bonds (distance) P-C4' energy: -31.987
flat angles C4'-P-C4' energy: -32.179
flat angles P-C4'-P energy: -20.408
tors. eta vs tors. theta energy: -28.884
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: 9, replica: 4
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -331.074579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.074579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.074579 (E_RNA)
where:
Base-Base interactions energy: -208.659
where: short stacking energy: -103.305
Base-Backbone interact. energy: -1.187
local terms energy: -121.229092
where:
bonds (distance) C4'-P energy: -28.116
bonds (distance) P-C4' energy: -33.035
flat angles C4'-P-C4' energy: -23.372
flat angles P-C4'-P energy: -20.937
tors. eta vs tors. theta energy: -15.770
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: 10, replica: 3
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -166.820960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.820960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.820960 (E_RNA)
where:
Base-Base interactions energy: -76.278
where: short stacking energy: -59.877
Base-Backbone interact. energy: 4.270
local terms energy: -94.813415
where:
bonds (distance) C4'-P energy: -19.494
bonds (distance) P-C4' energy: -29.620
flat angles C4'-P-C4' energy: -24.085
flat angles P-C4'-P energy: -17.747
tors. eta vs tors. theta energy: -3.867
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: 353
Temperature: 0.900000
Total energy: -603.703856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.703856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.703856 (E_RNA)
where:
Base-Base interactions energy: -423.553
where: short stacking energy: -177.960
Base-Backbone interact. energy: 0.932
local terms energy: -181.082656
where:
bonds (distance) C4'-P energy: -36.677
bonds (distance) P-C4' energy: -31.065
flat angles C4'-P-C4' energy: -42.080
flat angles P-C4'-P energy: -26.899
tors. eta vs tors. theta energy: -44.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -601.410575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.410575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.410575 (E_RNA)
where:
Base-Base interactions energy: -437.093
where: short stacking energy: -182.698
Base-Backbone interact. energy: 0.327
local terms energy: -164.644291
where:
bonds (distance) C4'-P energy: -31.497
bonds (distance) P-C4' energy: -28.355
flat angles C4'-P-C4' energy: -32.388
flat angles P-C4'-P energy: -21.988
tors. eta vs tors. theta energy: -50.416
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: 8
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -569.820986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.820986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.820986 (E_RNA)
where:
Base-Base interactions energy: -406.934
where: short stacking energy: -167.162
Base-Backbone interact. energy: 1.701
local terms energy: -164.588458
where:
bonds (distance) C4'-P energy: -31.167
bonds (distance) P-C4' energy: -38.505
flat angles C4'-P-C4' energy: -32.302
flat angles P-C4'-P energy: -20.781
tors. eta vs tors. theta energy: -41.834
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: 4, replica: 6
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -514.839885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.839885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.839885 (E_RNA)
where:
Base-Base interactions energy: -357.187
where: short stacking energy: -160.401
Base-Backbone interact. energy: -0.249
local terms energy: -157.403933
where:
bonds (distance) C4'-P energy: -27.489
bonds (distance) P-C4' energy: -27.031
flat angles C4'-P-C4' energy: -38.891
flat angles P-C4'-P energy: -22.969
tors. eta vs tors. theta energy: -41.024
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: 5, replica: 9
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -526.994117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.994117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.994117 (E_RNA)
where:
Base-Base interactions energy: -359.442
where: short stacking energy: -172.728
Base-Backbone interact. energy: -0.016
local terms energy: -167.535869
where:
bonds (distance) C4'-P energy: -18.802
bonds (distance) P-C4' energy: -36.962
flat angles C4'-P-C4' energy: -39.818
flat angles P-C4'-P energy: -22.583
tors. eta vs tors. theta energy: -49.371
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: 5
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -481.708257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.708257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.708257 (E_RNA)
where:
Base-Base interactions energy: -326.904
where: short stacking energy: -151.256
Base-Backbone interact. energy: -0.287
local terms energy: -154.517884
where:
bonds (distance) C4'-P energy: -33.335
bonds (distance) P-C4' energy: -28.437
flat angles C4'-P-C4' energy: -27.947
flat angles P-C4'-P energy: -22.949
tors. eta vs tors. theta energy: -41.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -489.791657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.791657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.791657 (E_RNA)
where:
Base-Base interactions energy: -338.013
where: short stacking energy: -144.628
Base-Backbone interact. energy: 2.514
local terms energy: -154.292807
where:
bonds (distance) C4'-P energy: -27.550
bonds (distance) P-C4' energy: -25.616
flat angles C4'-P-C4' energy: -40.157
flat angles P-C4'-P energy: -28.902
tors. eta vs tors. theta energy: -32.068
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: 10
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -355.418400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.418400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.418400 (E_RNA)
where:
Base-Base interactions energy: -211.772
where: short stacking energy: -96.620
Base-Backbone interact. energy: -0.654
local terms energy: -142.992496
where:
bonds (distance) C4'-P energy: -36.859
bonds (distance) P-C4' energy: -32.290
flat angles C4'-P-C4' energy: -32.953
flat angles P-C4'-P energy: -20.345
tors. eta vs tors. theta energy: -20.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -334.278864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.278864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.278864 (E_RNA)
where:
Base-Base interactions energy: -212.309
where: short stacking energy: -97.657
Base-Backbone interact. energy: -1.274
local terms energy: -120.695760
where:
bonds (distance) C4'-P energy: -32.423
bonds (distance) P-C4' energy: -32.692
flat angles C4'-P-C4' energy: -29.752
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -16.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -159.402835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.402835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.402835 (E_RNA)
where:
Base-Base interactions energy: -79.657
where: short stacking energy: -59.444
Base-Backbone interact. energy: -0.072
local terms energy: -79.673925
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -21.500
flat angles P-C4'-P energy: -22.869
tors. eta vs tors. theta energy: -1.031
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: 2
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -621.534334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.534334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.534334 (E_RNA)
where:
Base-Base interactions energy: -430.487
where: short stacking energy: -175.072
Base-Backbone interact. energy: 0.514
local terms energy: -191.561137
where:
bonds (distance) C4'-P energy: -36.813
bonds (distance) P-C4' energy: -35.261
flat angles C4'-P-C4' energy: -37.914
flat angles P-C4'-P energy: -30.121
tors. eta vs tors. theta energy: -51.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -604.995944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.995944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.995944 (E_RNA)
where:
Base-Base interactions energy: -429.457
where: short stacking energy: -177.501
Base-Backbone interact. energy: -0.745
local terms energy: -174.794285
where:
bonds (distance) C4'-P energy: -30.909
bonds (distance) P-C4' energy: -27.333
flat angles C4'-P-C4' energy: -40.791
flat angles P-C4'-P energy: -26.385
tors. eta vs tors. theta energy: -49.376
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: 8
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -600.491967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.491967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.491967 (E_RNA)
where:
Base-Base interactions energy: -423.519
where: short stacking energy: -171.836
Base-Backbone interact. energy: -1.601
local terms energy: -175.371234
where:
bonds (distance) C4'-P energy: -32.350
bonds (distance) P-C4' energy: -37.452
flat angles C4'-P-C4' energy: -36.303
flat angles P-C4'-P energy: -25.067
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: 4, replica: 6
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -536.867218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.867218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.867218 (E_RNA)
where:
Base-Base interactions energy: -374.958
where: short stacking energy: -164.609
Base-Backbone interact. energy: -1.863
local terms energy: -160.045664
where:
bonds (distance) C4'-P energy: -32.713
bonds (distance) P-C4' energy: -31.469
flat angles C4'-P-C4' energy: -36.013
flat angles P-C4'-P energy: -17.481
tors. eta vs tors. theta energy: -42.370
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: 9
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -498.908276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.908276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.908276 (E_RNA)
where:
Base-Base interactions energy: -321.199
where: short stacking energy: -142.130
Base-Backbone interact. energy: 0.878
local terms energy: -178.587267
where:
bonds (distance) C4'-P energy: -29.557
bonds (distance) P-C4' energy: -39.690
flat angles C4'-P-C4' energy: -37.836
flat angles P-C4'-P energy: -26.204
tors. eta vs tors. theta energy: -45.300
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: 5
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -478.059669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.059669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.059669 (E_RNA)
where:
Base-Base interactions energy: -336.203
where: short stacking energy: -142.573
Base-Backbone interact. energy: -0.850
local terms energy: -141.006771
where:
bonds (distance) C4'-P energy: -24.907
bonds (distance) P-C4' energy: -27.338
flat angles C4'-P-C4' energy: -32.497
flat angles P-C4'-P energy: -20.724
tors. eta vs tors. theta energy: -35.541
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: 7
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -452.848967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.848967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.848967 (E_RNA)
where:
Base-Base interactions energy: -307.322
where: short stacking energy: -128.410
Base-Backbone interact. energy: 0.101
local terms energy: -145.627293
where:
bonds (distance) C4'-P energy: -29.837
bonds (distance) P-C4' energy: -42.348
flat angles C4'-P-C4' energy: -33.367
flat angles P-C4'-P energy: -15.123
tors. eta vs tors. theta energy: -24.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -368.844717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.844717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.844717 (E_RNA)
where:
Base-Base interactions energy: -225.817
where: short stacking energy: -106.543
Base-Backbone interact. energy: -1.065
local terms energy: -141.962547
where:
bonds (distance) C4'-P energy: -28.528
bonds (distance) P-C4' energy: -35.040
flat angles C4'-P-C4' energy: -35.058
flat angles P-C4'-P energy: -20.391
tors. eta vs tors. theta energy: -22.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -338.991041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.991041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.991041 (E_RNA)
where:
Base-Base interactions energy: -214.701
where: short stacking energy: -95.005
Base-Backbone interact. energy: -0.831
local terms energy: -123.458863
where:
bonds (distance) C4'-P energy: -30.652
bonds (distance) P-C4' energy: -26.802
flat angles C4'-P-C4' energy: -30.505
flat angles P-C4'-P energy: -21.939
tors. eta vs tors. theta energy: -13.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -175.248749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.248749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.248749 (E_RNA)
where:
Base-Base interactions energy: -70.036
where: short stacking energy: -66.049
Base-Backbone interact. energy: -0.902
local terms energy: -104.310977
where:
bonds (distance) C4'-P energy: -28.393
bonds (distance) P-C4' energy: -27.730
flat angles C4'-P-C4' energy: -30.778
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -4.951
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: 1, replica: 2
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -622.991749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.991749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.991749 (E_RNA)
where:
Base-Base interactions energy: -428.894
where: short stacking energy: -174.949
Base-Backbone interact. energy: 0.580
local terms energy: -194.677990
where:
bonds (distance) C4'-P energy: -38.104
bonds (distance) P-C4' energy: -40.078
flat angles C4'-P-C4' energy: -36.343
flat angles P-C4'-P energy: -27.913
tors. eta vs tors. theta energy: -52.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -593.941543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.941543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.941543 (E_RNA)
where:
Base-Base interactions energy: -418.605
where: short stacking energy: -171.108
Base-Backbone interact. energy: -2.461
local terms energy: -172.874999
where:
bonds (distance) C4'-P energy: -24.687
bonds (distance) P-C4' energy: -35.613
flat angles C4'-P-C4' energy: -41.324
flat angles P-C4'-P energy: -23.716
tors. eta vs tors. theta energy: -47.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -583.852736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.852736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.852736 (E_RNA)
where:
Base-Base interactions energy: -422.376
where: short stacking energy: -173.965
Base-Backbone interact. energy: -0.179
local terms energy: -161.298005
where:
bonds (distance) C4'-P energy: -28.826
bonds (distance) P-C4' energy: -32.299
flat angles C4'-P-C4' energy: -33.180
flat angles P-C4'-P energy: -18.023
tors. eta vs tors. theta energy: -48.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -529.763412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.763412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.763412 (E_RNA)
where:
Base-Base interactions energy: -372.479
where: short stacking energy: -159.844
Base-Backbone interact. energy: -0.358
local terms energy: -156.926571
where:
bonds (distance) C4'-P energy: -24.872
bonds (distance) P-C4' energy: -35.665
flat angles C4'-P-C4' energy: -34.058
flat angles P-C4'-P energy: -20.498
tors. eta vs tors. theta energy: -41.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -497.396875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.396875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.396875 (E_RNA)
where:
Base-Base interactions energy: -328.930
where: short stacking energy: -155.541
Base-Backbone interact. energy: -1.329
local terms energy: -167.137955
where:
bonds (distance) C4'-P energy: -27.919
bonds (distance) P-C4' energy: -31.393
flat angles C4'-P-C4' energy: -38.373
flat angles P-C4'-P energy: -26.530
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: 6, replica: 5
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -489.361249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.361249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.361249 (E_RNA)
where:
Base-Base interactions energy: -339.701
where: short stacking energy: -148.637
Base-Backbone interact. energy: 1.292
local terms energy: -150.952283
where:
bonds (distance) C4'-P energy: -27.912
bonds (distance) P-C4' energy: -30.456
flat angles C4'-P-C4' energy: -36.998
flat angles P-C4'-P energy: -26.505
tors. eta vs tors. theta energy: -29.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -422.274031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.274031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.274031 (E_RNA)
where:
Base-Base interactions energy: -297.532
where: short stacking energy: -123.352
Base-Backbone interact. energy: -0.398
local terms energy: -124.344012
where:
bonds (distance) C4'-P energy: -24.036
bonds (distance) P-C4' energy: -27.127
flat angles C4'-P-C4' energy: -28.850
flat angles P-C4'-P energy: -20.597
tors. eta vs tors. theta energy: -23.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -361.624948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.624948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.624948 (E_RNA)
where:
Base-Base interactions energy: -228.769
where: short stacking energy: -125.029
Base-Backbone interact. energy: -0.124
local terms energy: -132.731779
where:
bonds (distance) C4'-P energy: -22.799
bonds (distance) P-C4' energy: -28.770
flat angles C4'-P-C4' energy: -33.657
flat angles P-C4'-P energy: -19.239
tors. eta vs tors. theta energy: -28.266
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: 9, replica: 4
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -346.102397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.102397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.102397 (E_RNA)
where:
Base-Base interactions energy: -227.832
where: short stacking energy: -96.202
Base-Backbone interact. energy: 2.879
local terms energy: -121.149555
where:
bonds (distance) C4'-P energy: -18.546
bonds (distance) P-C4' energy: -27.711
flat angles C4'-P-C4' energy: -39.226
flat angles P-C4'-P energy: -20.475
tors. eta vs tors. theta energy: -15.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -214.309846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.309846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.309846 (E_RNA)
where:
Base-Base interactions energy: -113.860
where: short stacking energy: -55.346
Base-Backbone interact. energy: -0.961
local terms energy: -99.488422
where:
bonds (distance) C4'-P energy: -25.144
bonds (distance) P-C4' energy: -35.574
flat angles C4'-P-C4' energy: -29.460
flat angles P-C4'-P energy: -16.990
tors. eta vs tors. theta energy: 7.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -617.826969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.826969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.826969 (E_RNA)
where:
Base-Base interactions energy: -434.179
where: short stacking energy: -167.014
Base-Backbone interact. energy: -1.737
local terms energy: -181.910983
where:
bonds (distance) C4'-P energy: -32.208
bonds (distance) P-C4' energy: -36.472
flat angles C4'-P-C4' energy: -35.069
flat angles P-C4'-P energy: -31.014
tors. eta vs tors. theta energy: -47.148
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: 1
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -593.608461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.608461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.608461 (E_RNA)
where:
Base-Base interactions energy: -422.015
where: short stacking energy: -176.612
Base-Backbone interact. energy: -0.326
local terms energy: -171.267711
where:
bonds (distance) C4'-P energy: -32.626
bonds (distance) P-C4' energy: -37.095
flat angles C4'-P-C4' energy: -36.109
flat angles P-C4'-P energy: -22.938
tors. eta vs tors. theta energy: -42.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -591.700183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.700183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.700183 (E_RNA)
where:
Base-Base interactions energy: -424.588
where: short stacking energy: -173.685
Base-Backbone interact. energy: -1.470
local terms energy: -165.641776
where:
bonds (distance) C4'-P energy: -36.807
bonds (distance) P-C4' energy: -34.066
flat angles C4'-P-C4' energy: -34.941
flat angles P-C4'-P energy: -17.334
tors. eta vs tors. theta energy: -42.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -549.308716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.308716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.308716 (E_RNA)
where:
Base-Base interactions energy: -374.074
where: short stacking energy: -170.417
Base-Backbone interact. energy: 0.408
local terms energy: -175.642940
where:
bonds (distance) C4'-P energy: -25.413
bonds (distance) P-C4' energy: -35.764
flat angles C4'-P-C4' energy: -36.667
flat angles P-C4'-P energy: -28.685
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: 9
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -465.990058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.990058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.990058 (E_RNA)
where:
Base-Base interactions energy: -308.751
where: short stacking energy: -128.049
Base-Backbone interact. energy: 0.673
local terms energy: -157.911848
where:
bonds (distance) C4'-P energy: -34.066
bonds (distance) P-C4' energy: -33.893
flat angles C4'-P-C4' energy: -31.237
flat angles P-C4'-P energy: -24.688
tors. eta vs tors. theta energy: -34.029
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: 6, replica: 5
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -498.453680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.453680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.453680 (E_RNA)
where:
Base-Base interactions energy: -331.998
where: short stacking energy: -155.187
Base-Backbone interact. energy: -0.534
local terms energy: -165.920971
where:
bonds (distance) C4'-P energy: -33.449
bonds (distance) P-C4' energy: -32.086
flat angles C4'-P-C4' energy: -33.362
flat angles P-C4'-P energy: -23.954
tors. eta vs tors. theta energy: -43.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -459.144960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.144960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.144960 (E_RNA)
where:
Base-Base interactions energy: -316.841
where: short stacking energy: -137.375
Base-Backbone interact. energy: -0.537
local terms energy: -141.766647
where:
bonds (distance) C4'-P energy: -28.936
bonds (distance) P-C4' energy: -31.278
flat angles C4'-P-C4' energy: -31.538
flat angles P-C4'-P energy: -16.688
tors. eta vs tors. theta energy: -33.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -359.098896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.098896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.098896 (E_RNA)
where:
Base-Base interactions energy: -220.903
where: short stacking energy: -113.072
Base-Backbone interact. energy: 0.070
local terms energy: -138.266261
where:
bonds (distance) C4'-P energy: -30.838
bonds (distance) P-C4' energy: -33.801
flat angles C4'-P-C4' energy: -22.762
flat angles P-C4'-P energy: -25.488
tors. eta vs tors. theta energy: -25.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -349.864870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.864870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.864870 (E_RNA)
where:
Base-Base interactions energy: -216.632
where: short stacking energy: -95.451
Base-Backbone interact. energy: -1.975
local terms energy: -131.258399
where:
bonds (distance) C4'-P energy: -24.537
bonds (distance) P-C4' energy: -28.125
flat angles C4'-P-C4' energy: -34.356
flat angles P-C4'-P energy: -22.176
tors. eta vs tors. theta energy: -22.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -220.402773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.402773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.402773 (E_RNA)
where:
Base-Base interactions energy: -116.981
where: short stacking energy: -66.732
Base-Backbone interact. energy: 0.635
local terms energy: -104.056407
where:
bonds (distance) C4'-P energy: -33.832
bonds (distance) P-C4' energy: -22.223
flat angles C4'-P-C4' energy: -24.591
flat angles P-C4'-P energy: -17.774
tors. eta vs tors. theta energy: -5.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -609.683769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.683769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.683769 (E_RNA)
where:
Base-Base interactions energy: -435.824
where: short stacking energy: -169.857
Base-Backbone interact. energy: -0.316
local terms energy: -173.543898
where:
bonds (distance) C4'-P energy: -29.135
bonds (distance) P-C4' energy: -37.869
flat angles C4'-P-C4' energy: -32.972
flat angles P-C4'-P energy: -25.027
tors. eta vs tors. theta energy: -48.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -587.614408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.614408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.614408 (E_RNA)
where:
Base-Base interactions energy: -414.630
where: short stacking energy: -163.113
Base-Backbone interact. energy: -1.730
local terms energy: -171.254780
where:
bonds (distance) C4'-P energy: -41.008
bonds (distance) P-C4' energy: -38.825
flat angles C4'-P-C4' energy: -35.236
flat angles P-C4'-P energy: -18.526
tors. eta vs tors. theta energy: -37.660
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: 357
Temperature: 1.000000
Total energy: -573.124560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.124560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.124560 (E_RNA)
where:
Base-Base interactions energy: -407.736
where: short stacking energy: -161.299
Base-Backbone interact. energy: 2.840
local terms energy: -168.228015
where:
bonds (distance) C4'-P energy: -36.952
bonds (distance) P-C4' energy: -35.132
flat angles C4'-P-C4' energy: -36.561
flat angles P-C4'-P energy: -22.318
tors. eta vs tors. theta energy: -37.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -537.979363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.979363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.979363 (E_RNA)
where:
Base-Base interactions energy: -373.093
where: short stacking energy: -166.996
Base-Backbone interact. energy: -0.608
local terms energy: -164.277741
where:
bonds (distance) C4'-P energy: -36.200
bonds (distance) P-C4' energy: -32.260
flat angles C4'-P-C4' energy: -33.365
flat angles P-C4'-P energy: -20.082
tors. eta vs tors. theta energy: -42.370
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: 9
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -475.903650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.903650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.903650 (E_RNA)
where:
Base-Base interactions energy: -321.855
where: short stacking energy: -156.807
Base-Backbone interact. energy: -0.264
local terms energy: -153.784293
where:
bonds (distance) C4'-P energy: -32.238
bonds (distance) P-C4' energy: -28.733
flat angles C4'-P-C4' energy: -32.767
flat angles P-C4'-P energy: -20.084
tors. eta vs tors. theta energy: -39.962
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: 357
Temperature: 1.150000
Total energy: -481.385674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.385674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.385674 (E_RNA)
where:
Base-Base interactions energy: -330.633
where: short stacking energy: -147.127
Base-Backbone interact. energy: -0.739
local terms energy: -150.013191
where:
bonds (distance) C4'-P energy: -22.948
bonds (distance) P-C4' energy: -37.399
flat angles C4'-P-C4' energy: -32.718
flat angles P-C4'-P energy: -21.949
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: 7, replica: 5
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -468.504330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.504330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.504330 (E_RNA)
where:
Base-Base interactions energy: -328.600
where: short stacking energy: -138.477
Base-Backbone interact. energy: 0.429
local terms energy: -140.333000
where:
bonds (distance) C4'-P energy: -23.366
bonds (distance) P-C4' energy: -34.813
flat angles C4'-P-C4' energy: -25.942
flat angles P-C4'-P energy: -22.653
tors. eta vs tors. theta energy: -33.558
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: 357
Temperature: 1.250000
Total energy: -357.741603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.741603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.741603 (E_RNA)
where:
Base-Base interactions energy: -230.515
where: short stacking energy: -115.565
Base-Backbone interact. energy: -0.430
local terms energy: -126.796759
where:
bonds (distance) C4'-P energy: -26.723
bonds (distance) P-C4' energy: -30.871
flat angles C4'-P-C4' energy: -25.095
flat angles P-C4'-P energy: -20.322
tors. eta vs tors. theta energy: -23.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -340.142117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.142117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.142117 (E_RNA)
where:
Base-Base interactions energy: -231.131
where: short stacking energy: -89.732
Base-Backbone interact. energy: -0.829
local terms energy: -108.182588
where:
bonds (distance) C4'-P energy: -31.731
bonds (distance) P-C4' energy: -22.721
flat angles C4'-P-C4' energy: -31.586
flat angles P-C4'-P energy: 1.217
tors. eta vs tors. theta energy: -23.361
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: 3
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -203.792752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.792752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.792752 (E_RNA)
where:
Base-Base interactions energy: -96.249
where: short stacking energy: -53.543
Base-Backbone interact. energy: -1.392
local terms energy: -106.152562
where:
bonds (distance) C4'-P energy: -31.075
bonds (distance) P-C4' energy: -29.552
flat angles C4'-P-C4' energy: -28.975
flat angles P-C4'-P energy: -15.942
tors. eta vs tors. theta energy: -0.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -591.838300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.838300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.838300 (E_RNA)
where:
Base-Base interactions energy: -420.665
where: short stacking energy: -172.405
Base-Backbone interact. energy: -0.265
local terms energy: -170.907952
where:
bonds (distance) C4'-P energy: -30.248
bonds (distance) P-C4' energy: -38.075
flat angles C4'-P-C4' energy: -37.779
flat angles P-C4'-P energy: -20.405
tors. eta vs tors. theta energy: -44.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -591.243000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.243000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.243000 (E_RNA)
where:
Base-Base interactions energy: -414.216
where: short stacking energy: -158.294
Base-Backbone interact. energy: -1.491
local terms energy: -175.536289
where:
bonds (distance) C4'-P energy: -37.702
bonds (distance) P-C4' energy: -33.550
flat angles C4'-P-C4' energy: -36.396
flat angles P-C4'-P energy: -26.858
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: 3, replica: 8
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -571.998301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.998301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.998301 (E_RNA)
where:
Base-Base interactions energy: -416.833
where: short stacking energy: -168.055
Base-Backbone interact. energy: 5.623
local terms energy: -160.787782
where:
bonds (distance) C4'-P energy: -29.105
bonds (distance) P-C4' energy: -32.790
flat angles C4'-P-C4' energy: -30.463
flat angles P-C4'-P energy: -21.890
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: 4, replica: 6
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -550.204535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.204535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.204535 (E_RNA)
where:
Base-Base interactions energy: -383.314
where: short stacking energy: -164.244
Base-Backbone interact. energy: -0.398
local terms energy: -166.491843
where:
bonds (distance) C4'-P energy: -31.336
bonds (distance) P-C4' energy: -29.768
flat angles C4'-P-C4' energy: -29.130
flat angles P-C4'-P energy: -25.448
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: 5, replica: 7
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -537.233026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.233026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.233026 (E_RNA)
where:
Base-Base interactions energy: -381.034
where: short stacking energy: -154.539
Base-Backbone interact. energy: -0.107
local terms energy: -156.091646
where:
bonds (distance) C4'-P energy: -26.831
bonds (distance) P-C4' energy: -28.889
flat angles C4'-P-C4' energy: -32.160
flat angles P-C4'-P energy: -29.076
tors. eta vs tors. theta energy: -39.135
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: 9
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -494.409718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.409718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.409718 (E_RNA)
where:
Base-Base interactions energy: -333.606
where: short stacking energy: -135.495
Base-Backbone interact. energy: -0.219
local terms energy: -160.584119
where:
bonds (distance) C4'-P energy: -32.146
bonds (distance) P-C4' energy: -31.357
flat angles C4'-P-C4' energy: -34.416
flat angles P-C4'-P energy: -22.951
tors. eta vs tors. theta energy: -39.714
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: 5
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -470.593155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.593155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.593155 (E_RNA)
where:
Base-Base interactions energy: -318.179
where: short stacking energy: -136.161
Base-Backbone interact. energy: -1.361
local terms energy: -151.052920
where:
bonds (distance) C4'-P energy: -32.624
bonds (distance) P-C4' energy: -27.220
flat angles C4'-P-C4' energy: -35.982
flat angles P-C4'-P energy: -16.109
tors. eta vs tors. theta energy: -39.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -366.119933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.119933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.119933 (E_RNA)
where:
Base-Base interactions energy: -238.434
where: short stacking energy: -114.887
Base-Backbone interact. energy: -1.008
local terms energy: -126.677990
where:
bonds (distance) C4'-P energy: -28.168
bonds (distance) P-C4' energy: -31.933
flat angles C4'-P-C4' energy: -23.947
flat angles P-C4'-P energy: -17.108
tors. eta vs tors. theta energy: -25.522
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: 9, replica: 4
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -322.170898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.170898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.170898 (E_RNA)
where:
Base-Base interactions energy: -217.779
where: short stacking energy: -106.925
Base-Backbone interact. energy: 0.120
local terms energy: -104.511696
where:
bonds (distance) C4'-P energy: -20.807
bonds (distance) P-C4' energy: -33.111
flat angles C4'-P-C4' energy: -26.057
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -13.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -211.026947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.026947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.026947 (E_RNA)
where:
Base-Base interactions energy: -115.039
where: short stacking energy: -81.720
Base-Backbone interact. energy: -0.628
local terms energy: -95.359553
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -25.191
flat angles C4'-P-C4' energy: -24.540
flat angles P-C4'-P energy: -17.096
tors. eta vs tors. theta energy: -11.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -605.864600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.864600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.864600 (E_RNA)
where:
Base-Base interactions energy: -418.670
where: short stacking energy: -168.407
Base-Backbone interact. energy: -1.630
local terms energy: -185.564654
where:
bonds (distance) C4'-P energy: -34.901
bonds (distance) P-C4' energy: -34.640
flat angles C4'-P-C4' energy: -36.408
flat angles P-C4'-P energy: -30.846
tors. eta vs tors. theta energy: -48.770
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: 1
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -594.902001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.902001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.902001 (E_RNA)
where:
Base-Base interactions energy: -425.446
where: short stacking energy: -162.853
Base-Backbone interact. energy: -0.414
local terms energy: -169.041927
where:
bonds (distance) C4'-P energy: -26.122
bonds (distance) P-C4' energy: -38.224
flat angles C4'-P-C4' energy: -37.147
flat angles P-C4'-P energy: -22.987
tors. eta vs tors. theta energy: -44.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -578.053789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.053789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.053789 (E_RNA)
where:
Base-Base interactions energy: -420.673
where: short stacking energy: -155.774
Base-Backbone interact. energy: -1.348
local terms energy: -156.032711
where:
bonds (distance) C4'-P energy: -28.756
bonds (distance) P-C4' energy: -30.766
flat angles C4'-P-C4' energy: -31.941
flat angles P-C4'-P energy: -28.363
tors. eta vs tors. theta energy: -36.207
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: 6
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -548.165603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.165603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.165603 (E_RNA)
where:
Base-Base interactions energy: -380.738
where: short stacking energy: -164.461
Base-Backbone interact. energy: -0.633
local terms energy: -166.794593
where:
bonds (distance) C4'-P energy: -32.839
bonds (distance) P-C4' energy: -30.488
flat angles C4'-P-C4' energy: -35.482
flat angles P-C4'-P energy: -23.309
tors. eta vs tors. theta energy: -44.676
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: 7
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -542.649100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.649100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.649100 (E_RNA)
where:
Base-Base interactions energy: -369.911
where: short stacking energy: -145.966
Base-Backbone interact. energy: -0.306
local terms energy: -172.432356
where:
bonds (distance) C4'-P energy: -33.952
bonds (distance) P-C4' energy: -35.811
flat angles C4'-P-C4' energy: -40.001
flat angles P-C4'-P energy: -23.514
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: 6, replica: 5
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -519.552829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.552829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.552829 (E_RNA)
where:
Base-Base interactions energy: -338.883
where: short stacking energy: -147.006
Base-Backbone interact. energy: -0.017
local terms energy: -180.652002
where:
bonds (distance) C4'-P energy: -34.273
bonds (distance) P-C4' energy: -36.339
flat angles C4'-P-C4' energy: -39.550
flat angles P-C4'-P energy: -27.073
tors. eta vs tors. theta energy: -43.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -490.854918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.854918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.854918 (E_RNA)
where:
Base-Base interactions energy: -317.739
where: short stacking energy: -158.260
Base-Backbone interact. energy: -0.171
local terms energy: -172.945364
where:
bonds (distance) C4'-P energy: -30.316
bonds (distance) P-C4' energy: -32.788
flat angles C4'-P-C4' energy: -36.535
flat angles P-C4'-P energy: -27.369
tors. eta vs tors. theta energy: -45.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -377.647191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.647191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.647191 (E_RNA)
where:
Base-Base interactions energy: -241.995
where: short stacking energy: -121.298
Base-Backbone interact. energy: -1.859
local terms energy: -133.792682
where:
bonds (distance) C4'-P energy: -23.648
bonds (distance) P-C4' energy: -25.376
flat angles C4'-P-C4' energy: -29.108
flat angles P-C4'-P energy: -22.342
tors. eta vs tors. theta energy: -33.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -322.787652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.787652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.787652 (E_RNA)
where:
Base-Base interactions energy: -207.456
where: short stacking energy: -94.305
Base-Backbone interact. energy: -1.055
local terms energy: -114.276164
where:
bonds (distance) C4'-P energy: -26.093
bonds (distance) P-C4' energy: -27.816
flat angles C4'-P-C4' energy: -24.841
flat angles P-C4'-P energy: -20.005
tors. eta vs tors. theta energy: -15.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -172.774565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.774565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.774565 (E_RNA)
where:
Base-Base interactions energy: -82.006
where: short stacking energy: -51.880
Base-Backbone interact. energy: 0.177
local terms energy: -90.945747
where:
bonds (distance) C4'-P energy: -25.928
bonds (distance) P-C4' energy: -31.271
flat angles C4'-P-C4' energy: -31.886
flat angles P-C4'-P energy: -16.455
tors. eta vs tors. theta energy: 14.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -598.885571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.885571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.885571 (E_RNA)
where:
Base-Base interactions energy: -425.733
where: short stacking energy: -178.227
Base-Backbone interact. energy: -2.035
local terms energy: -171.117244
where:
bonds (distance) C4'-P energy: -32.993
bonds (distance) P-C4' energy: -33.364
flat angles C4'-P-C4' energy: -33.584
flat angles P-C4'-P energy: -26.594
tors. eta vs tors. theta energy: -44.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -589.645140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.645140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.645140 (E_RNA)
where:
Base-Base interactions energy: -408.254
where: short stacking energy: -173.803
Base-Backbone interact. energy: -0.639
local terms energy: -180.751768
where:
bonds (distance) C4'-P energy: -35.110
bonds (distance) P-C4' energy: -32.853
flat angles C4'-P-C4' energy: -37.158
flat angles P-C4'-P energy: -26.912
tors. eta vs tors. theta energy: -48.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -588.482883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.482883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.482883 (E_RNA)
where:
Base-Base interactions energy: -414.737
where: short stacking energy: -165.515
Base-Backbone interact. energy: -2.103
local terms energy: -171.642937
where:
bonds (distance) C4'-P energy: -31.609
bonds (distance) P-C4' energy: -39.936
flat angles C4'-P-C4' energy: -32.154
flat angles P-C4'-P energy: -23.148
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: 4, replica: 6
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -532.195795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.195795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.195795 (E_RNA)
where:
Base-Base interactions energy: -377.750
where: short stacking energy: -153.975
Base-Backbone interact. energy: -0.888
local terms energy: -153.558086
where:
bonds (distance) C4'-P energy: -23.529
bonds (distance) P-C4' energy: -28.411
flat angles C4'-P-C4' energy: -39.643
flat angles P-C4'-P energy: -21.135
tors. eta vs tors. theta energy: -40.839
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: 5
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -519.835275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.835275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.835275 (E_RNA)
where:
Base-Base interactions energy: -344.260
where: short stacking energy: -162.492
Base-Backbone interact. energy: -0.731
local terms energy: -174.844551
where:
bonds (distance) C4'-P energy: -32.375
bonds (distance) P-C4' energy: -39.892
flat angles C4'-P-C4' energy: -32.384
flat angles P-C4'-P energy: -26.887
tors. eta vs tors. theta energy: -43.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -508.878161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.878161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.878161 (E_RNA)
where:
Base-Base interactions energy: -342.501
where: short stacking energy: -141.453
Base-Backbone interact. energy: -0.716
local terms energy: -165.660696
where:
bonds (distance) C4'-P energy: -28.909
bonds (distance) P-C4' energy: -35.586
flat angles C4'-P-C4' energy: -39.050
flat angles P-C4'-P energy: -21.941
tors. eta vs tors. theta energy: -40.174
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: 9
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -473.654000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.654000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.654000 (E_RNA)
where:
Base-Base interactions energy: -324.951
where: short stacking energy: -140.654
Base-Backbone interact. energy: -0.103
local terms energy: -148.600194
where:
bonds (distance) C4'-P energy: -28.465
bonds (distance) P-C4' energy: -33.657
flat angles C4'-P-C4' energy: -27.987
flat angles P-C4'-P energy: -21.147
tors. eta vs tors. theta energy: -37.344
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: 360
Temperature: 1.250000
Total energy: -359.129261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.129261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.129261 (E_RNA)
where:
Base-Base interactions energy: -239.030
where: short stacking energy: -110.574
Base-Backbone interact. energy: 0.304
local terms energy: -120.402767
where:
bonds (distance) C4'-P energy: -27.840
bonds (distance) P-C4' energy: -17.409
flat angles C4'-P-C4' energy: -32.236
flat angles P-C4'-P energy: -20.089
tors. eta vs tors. theta energy: -22.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -303.951528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.951528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.951528 (E_RNA)
where:
Base-Base interactions energy: -191.006
where: short stacking energy: -80.600
Base-Backbone interact. energy: -0.487
local terms energy: -112.458591
where:
bonds (distance) C4'-P energy: -27.998
bonds (distance) P-C4' energy: -28.572
flat angles C4'-P-C4' energy: -31.369
flat angles P-C4'-P energy: -17.052
tors. eta vs tors. theta energy: -7.467
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: 10, replica: 3
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -165.059103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.059103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.059103 (E_RNA)
where:
Base-Base interactions energy: -72.730
where: short stacking energy: -47.810
Base-Backbone interact. energy: -1.490
local terms energy: -90.839747
where:
bonds (distance) C4'-P energy: -20.845
bonds (distance) P-C4' energy: -26.404
flat angles C4'-P-C4' energy: -31.213
flat angles P-C4'-P energy: -15.469
tors. eta vs tors. theta energy: 3.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -598.486803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.486803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.486803 (E_RNA)
where:
Base-Base interactions energy: -427.364
where: short stacking energy: -172.664
Base-Backbone interact. energy: 1.777
local terms energy: -172.900151
where:
bonds (distance) C4'-P energy: -27.155
bonds (distance) P-C4' energy: -31.316
flat angles C4'-P-C4' energy: -39.172
flat angles P-C4'-P energy: -28.307
tors. eta vs tors. theta energy: -46.950
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: 2, replica: 1
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -593.161681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.161681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.161681 (E_RNA)
where:
Base-Base interactions energy: -415.123
where: short stacking energy: -168.714
Base-Backbone interact. energy: -1.507
local terms energy: -176.532288
where:
bonds (distance) C4'-P energy: -37.333
bonds (distance) P-C4' energy: -31.437
flat angles C4'-P-C4' energy: -39.344
flat angles P-C4'-P energy: -25.436
tors. eta vs tors. theta energy: -42.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -603.160180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.160180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.160180 (E_RNA)
where:
Base-Base interactions energy: -436.822
where: short stacking energy: -178.934
Base-Backbone interact. energy: -1.380
local terms energy: -164.957794
where:
bonds (distance) C4'-P energy: -36.734
bonds (distance) P-C4' energy: -27.215
flat angles C4'-P-C4' energy: -36.954
flat angles P-C4'-P energy: -17.927
tors. eta vs tors. theta energy: -46.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -533.450428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.450428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.450428 (E_RNA)
where:
Base-Base interactions energy: -359.991
where: short stacking energy: -151.686
Base-Backbone interact. energy: -0.253
local terms energy: -173.206088
where:
bonds (distance) C4'-P energy: -37.582
bonds (distance) P-C4' energy: -29.061
flat angles C4'-P-C4' energy: -35.625
flat angles P-C4'-P energy: -28.025
tors. eta vs tors. theta energy: -42.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -534.122414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.122414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.122414 (E_RNA)
where:
Base-Base interactions energy: -373.256
where: short stacking energy: -151.420
Base-Backbone interact. energy: -1.103
local terms energy: -159.762956
where:
bonds (distance) C4'-P energy: -38.659
bonds (distance) P-C4' energy: -28.584
flat angles C4'-P-C4' energy: -26.287
flat angles P-C4'-P energy: -19.618
tors. eta vs tors. theta energy: -46.615
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: 9
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -475.075246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.075246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.075246 (E_RNA)
where:
Base-Base interactions energy: -322.601
where: short stacking energy: -145.996
Base-Backbone interact. energy: 1.425
local terms energy: -153.899350
where:
bonds (distance) C4'-P energy: -27.807
bonds (distance) P-C4' energy: -29.137
flat angles C4'-P-C4' energy: -32.916
flat angles P-C4'-P energy: -25.142
tors. eta vs tors. theta energy: -38.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -473.919865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.919865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.919865 (E_RNA)
where:
Base-Base interactions energy: -329.060
where: short stacking energy: -131.264
Base-Backbone interact. energy: 0.522
local terms energy: -145.381546
where:
bonds (distance) C4'-P energy: -25.469
bonds (distance) P-C4' energy: -38.925
flat angles C4'-P-C4' energy: -29.467
flat angles P-C4'-P energy: -22.478
tors. eta vs tors. theta energy: -29.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -374.290057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.290057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.290057 (E_RNA)
where:
Base-Base interactions energy: -231.415
where: short stacking energy: -107.003
Base-Backbone interact. energy: -0.997
local terms energy: -141.878566
where:
bonds (distance) C4'-P energy: -37.838
bonds (distance) P-C4' energy: -28.543
flat angles C4'-P-C4' energy: -33.449
flat angles P-C4'-P energy: -19.167
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: 9, replica: 4
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -339.461315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.461315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.461315 (E_RNA)
where:
Base-Base interactions energy: -212.222
where: short stacking energy: -108.091
Base-Backbone interact. energy: 0.064
local terms energy: -127.303198
where:
bonds (distance) C4'-P energy: -22.834
bonds (distance) P-C4' energy: -27.093
flat angles C4'-P-C4' energy: -33.710
flat angles P-C4'-P energy: -21.072
tors. eta vs tors. theta energy: -22.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -163.307555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.307555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.307555 (E_RNA)
where:
Base-Base interactions energy: -63.387
where: short stacking energy: -56.387
Base-Backbone interact. energy: -0.542
local terms energy: -99.378789
where:
bonds (distance) C4'-P energy: -30.564
bonds (distance) P-C4' energy: -25.589
flat angles C4'-P-C4' energy: -25.849
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -3.457
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: 362
Temperature: 0.900000
Total energy: -606.131128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.131128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.131128 (E_RNA)
where:
Base-Base interactions energy: -436.134
where: short stacking energy: -172.733
Base-Backbone interact. energy: -0.769
local terms energy: -169.228111
where:
bonds (distance) C4'-P energy: -29.854
bonds (distance) P-C4' energy: -34.745
flat angles C4'-P-C4' energy: -37.111
flat angles P-C4'-P energy: -22.132
tors. eta vs tors. theta energy: -45.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -596.335491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.335491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.335491 (E_RNA)
where:
Base-Base interactions energy: -421.569
where: short stacking energy: -173.709
Base-Backbone interact. energy: -0.201
local terms energy: -174.565254
where:
bonds (distance) C4'-P energy: -32.179
bonds (distance) P-C4' energy: -34.304
flat angles C4'-P-C4' energy: -35.988
flat angles P-C4'-P energy: -23.840
tors. eta vs tors. theta energy: -48.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -585.643230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.643230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.643230 (E_RNA)
where:
Base-Base interactions energy: -422.274
where: short stacking energy: -173.782
Base-Backbone interact. energy: -0.590
local terms energy: -162.780123
where:
bonds (distance) C4'-P energy: -29.166
bonds (distance) P-C4' energy: -27.990
flat angles C4'-P-C4' energy: -33.905
flat angles P-C4'-P energy: -22.810
tors. eta vs tors. theta energy: -48.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -542.055716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.055716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.055716 (E_RNA)
where:
Base-Base interactions energy: -365.865
where: short stacking energy: -163.902
Base-Backbone interact. energy: -0.915
local terms energy: -175.275883
where:
bonds (distance) C4'-P energy: -37.313
bonds (distance) P-C4' energy: -35.057
flat angles C4'-P-C4' energy: -37.021
flat angles P-C4'-P energy: -21.560
tors. eta vs tors. theta energy: -44.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -540.264676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.264676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.264676 (E_RNA)
where:
Base-Base interactions energy: -365.746
where: short stacking energy: -147.922
Base-Backbone interact. energy: -0.889
local terms energy: -173.629485
where:
bonds (distance) C4'-P energy: -34.946
bonds (distance) P-C4' energy: -37.009
flat angles C4'-P-C4' energy: -36.655
flat angles P-C4'-P energy: -22.221
tors. eta vs tors. theta energy: -42.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -515.420517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.420517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.420517 (E_RNA)
where:
Base-Base interactions energy: -340.233
where: short stacking energy: -166.406
Base-Backbone interact. energy: 1.269
local terms energy: -176.456130
where:
bonds (distance) C4'-P energy: -33.404
bonds (distance) P-C4' energy: -33.303
flat angles C4'-P-C4' energy: -35.784
flat angles P-C4'-P energy: -23.903
tors. eta vs tors. theta energy: -50.061
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: 362
Temperature: 1.200000
Total energy: -459.655848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.655848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.655848 (E_RNA)
where:
Base-Base interactions energy: -315.269
where: short stacking energy: -127.776
Base-Backbone interact. energy: -0.809
local terms energy: -143.577147
where:
bonds (distance) C4'-P energy: -29.233
bonds (distance) P-C4' energy: -28.746
flat angles C4'-P-C4' energy: -32.863
flat angles P-C4'-P energy: -19.687
tors. eta vs tors. theta energy: -33.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -346.411700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.411700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.411700 (E_RNA)
where:
Base-Base interactions energy: -210.591
where: short stacking energy: -106.773
Base-Backbone interact. energy: 0.299
local terms energy: -136.119406
where:
bonds (distance) C4'-P energy: -30.897
bonds (distance) P-C4' energy: -34.886
flat angles C4'-P-C4' energy: -32.280
flat angles P-C4'-P energy: -22.111
tors. eta vs tors. theta energy: -15.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -321.138586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.138586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.138586 (E_RNA)
where:
Base-Base interactions energy: -203.364
where: short stacking energy: -86.814
Base-Backbone interact. energy: 0.227
local terms energy: -118.001314
where:
bonds (distance) C4'-P energy: -31.806
bonds (distance) P-C4' energy: -27.021
flat angles C4'-P-C4' energy: -32.329
flat angles P-C4'-P energy: -19.536
tors. eta vs tors. theta energy: -7.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -156.790582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.790582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.790582 (E_RNA)
where:
Base-Base interactions energy: -44.335
where: short stacking energy: -41.583
Base-Backbone interact. energy: 0.364
local terms energy: -112.818908
where:
bonds (distance) C4'-P energy: -37.120
bonds (distance) P-C4' energy: -24.062
flat angles C4'-P-C4' energy: -26.041
flat angles P-C4'-P energy: -20.513
tors. eta vs tors. theta energy: -5.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -625.708866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.708866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.708866 (E_RNA)
where:
Base-Base interactions energy: -440.907
where: short stacking energy: -172.616
Base-Backbone interact. energy: -1.549
local terms energy: -183.252854
where:
bonds (distance) C4'-P energy: -38.149
bonds (distance) P-C4' energy: -30.583
flat angles C4'-P-C4' energy: -40.528
flat angles P-C4'-P energy: -22.355
tors. eta vs tors. theta energy: -51.639
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: 2
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -581.935563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.935563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.935563 (E_RNA)
where:
Base-Base interactions energy: -400.756
where: short stacking energy: -165.772
Base-Backbone interact. energy: -0.284
local terms energy: -180.895738
where:
bonds (distance) C4'-P energy: -37.662
bonds (distance) P-C4' energy: -37.427
flat angles C4'-P-C4' energy: -38.184
flat angles P-C4'-P energy: -20.595
tors. eta vs tors. theta energy: -47.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -594.206762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.206762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.206762 (E_RNA)
where:
Base-Base interactions energy: -435.128
where: short stacking energy: -166.576
Base-Backbone interact. energy: -1.105
local terms energy: -157.973377
where:
bonds (distance) C4'-P energy: -28.522
bonds (distance) P-C4' energy: -32.143
flat angles C4'-P-C4' energy: -30.555
flat angles P-C4'-P energy: -22.647
tors. eta vs tors. theta energy: -44.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -524.572566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.572566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.572566 (E_RNA)
where:
Base-Base interactions energy: -370.966
where: short stacking energy: -153.535
Base-Backbone interact. energy: -0.550
local terms energy: -153.057216
where:
bonds (distance) C4'-P energy: -30.826
bonds (distance) P-C4' energy: -36.231
flat angles C4'-P-C4' energy: -28.270
flat angles P-C4'-P energy: -17.641
tors. eta vs tors. theta energy: -40.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -539.380517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.380517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.380517 (E_RNA)
where:
Base-Base interactions energy: -371.504
where: short stacking energy: -155.997
Base-Backbone interact. energy: -0.880
local terms energy: -166.996005
where:
bonds (distance) C4'-P energy: -29.118
bonds (distance) P-C4' energy: -33.374
flat angles C4'-P-C4' energy: -37.960
flat angles P-C4'-P energy: -23.975
tors. eta vs tors. theta energy: -42.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -473.008281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.008281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.008281 (E_RNA)
where:
Base-Base interactions energy: -319.408
where: short stacking energy: -128.174
Base-Backbone interact. energy: 0.013
local terms energy: -153.613472
where:
bonds (distance) C4'-P energy: -31.551
bonds (distance) P-C4' energy: -35.550
flat angles C4'-P-C4' energy: -33.696
flat angles P-C4'-P energy: -21.586
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: 7, replica: 9
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -476.686406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.686406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.686406 (E_RNA)
where:
Base-Base interactions energy: -316.169
where: short stacking energy: -134.223
Base-Backbone interact. energy: 0.153
local terms energy: -160.670473
where:
bonds (distance) C4'-P energy: -34.197
bonds (distance) P-C4' energy: -34.305
flat angles C4'-P-C4' energy: -35.598
flat angles P-C4'-P energy: -22.494
tors. eta vs tors. theta energy: -34.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -329.360694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.360694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.360694 (E_RNA)
where:
Base-Base interactions energy: -206.404
where: short stacking energy: -104.327
Base-Backbone interact. energy: -0.441
local terms energy: -122.515454
where:
bonds (distance) C4'-P energy: -24.355
bonds (distance) P-C4' energy: -32.198
flat angles C4'-P-C4' energy: -33.686
flat angles P-C4'-P energy: -14.494
tors. eta vs tors. theta energy: -17.783
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: 4
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -282.323300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.323300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.323300 (E_RNA)
where:
Base-Base interactions energy: -170.405
where: short stacking energy: -91.519
Base-Backbone interact. energy: 0.021
local terms energy: -111.938688
where:
bonds (distance) C4'-P energy: -27.358
bonds (distance) P-C4' energy: -29.442
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -22.811
tors. eta vs tors. theta energy: -14.524
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: 3
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -156.259275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.259275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.259275 (E_RNA)
where:
Base-Base interactions energy: -53.863
where: short stacking energy: -42.227
Base-Backbone interact. energy: -1.374
local terms energy: -101.021957
where:
bonds (distance) C4'-P energy: -24.385
bonds (distance) P-C4' energy: -30.417
flat angles C4'-P-C4' energy: -31.201
flat angles P-C4'-P energy: -21.113
tors. eta vs tors. theta energy: 6.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -619.356198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.356198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.356198 (E_RNA)
where:
Base-Base interactions energy: -441.625
where: short stacking energy: -166.253
Base-Backbone interact. energy: -0.089
local terms energy: -177.642532
where:
bonds (distance) C4'-P energy: -34.728
bonds (distance) P-C4' energy: -32.716
flat angles C4'-P-C4' energy: -41.595
flat angles P-C4'-P energy: -22.058
tors. eta vs tors. theta energy: -46.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -590.603339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.603339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.603339 (E_RNA)
where:
Base-Base interactions energy: -417.049
where: short stacking energy: -174.181
Base-Backbone interact. energy: -1.103
local terms energy: -172.450585
where:
bonds (distance) C4'-P energy: -35.284
bonds (distance) P-C4' energy: -29.394
flat angles C4'-P-C4' energy: -35.593
flat angles P-C4'-P energy: -23.633
tors. eta vs tors. theta energy: -48.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -577.517112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.517112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.517112 (E_RNA)
where:
Base-Base interactions energy: -408.703
where: short stacking energy: -168.464
Base-Backbone interact. energy: -2.543
local terms energy: -166.271130
where:
bonds (distance) C4'-P energy: -31.425
bonds (distance) P-C4' energy: -33.152
flat angles C4'-P-C4' energy: -33.731
flat angles P-C4'-P energy: -27.119
tors. eta vs tors. theta energy: -40.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -539.139742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.139742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.139742 (E_RNA)
where:
Base-Base interactions energy: -374.590
where: short stacking energy: -166.201
Base-Backbone interact. energy: 0.657
local terms energy: -165.206985
where:
bonds (distance) C4'-P energy: -33.157
bonds (distance) P-C4' energy: -31.138
flat angles C4'-P-C4' energy: -30.170
flat angles P-C4'-P energy: -25.785
tors. eta vs tors. theta energy: -44.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -509.246970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.246970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.246970 (E_RNA)
where:
Base-Base interactions energy: -361.951
where: short stacking energy: -143.746
Base-Backbone interact. energy: 1.198
local terms energy: -148.493991
where:
bonds (distance) C4'-P energy: -28.881
bonds (distance) P-C4' energy: -34.606
flat angles C4'-P-C4' energy: -27.856
flat angles P-C4'-P energy: -20.181
tors. eta vs tors. theta energy: -36.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -475.703059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.703059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.703059 (E_RNA)
where:
Base-Base interactions energy: -323.695
where: short stacking energy: -130.707
Base-Backbone interact. energy: -1.947
local terms energy: -150.060312
where:
bonds (distance) C4'-P energy: -32.262
bonds (distance) P-C4' energy: -30.390
flat angles C4'-P-C4' energy: -34.306
flat angles P-C4'-P energy: -20.716
tors. eta vs tors. theta energy: -32.385
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: 364
Temperature: 1.200000
Total energy: -455.390862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.390862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.390862 (E_RNA)
where:
Base-Base interactions energy: -300.424
where: short stacking energy: -138.589
Base-Backbone interact. energy: 0.492
local terms energy: -155.459025
where:
bonds (distance) C4'-P energy: -30.834
bonds (distance) P-C4' energy: -25.731
flat angles C4'-P-C4' energy: -35.788
flat angles P-C4'-P energy: -22.274
tors. eta vs tors. theta energy: -40.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -380.557627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.557627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.557627 (E_RNA)
where:
Base-Base interactions energy: -234.539
where: short stacking energy: -108.175
Base-Backbone interact. energy: 0.000
local terms energy: -146.018385
where:
bonds (distance) C4'-P energy: -26.418
bonds (distance) P-C4' energy: -36.010
flat angles C4'-P-C4' energy: -36.450
flat angles P-C4'-P energy: -22.065
tors. eta vs tors. theta energy: -25.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -245.422318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.422318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.422318 (E_RNA)
where:
Base-Base interactions energy: -132.123
where: short stacking energy: -77.125
Base-Backbone interact. energy: -0.555
local terms energy: -112.744249
where:
bonds (distance) C4'-P energy: -32.639
bonds (distance) P-C4' energy: -29.260
flat angles C4'-P-C4' energy: -26.081
flat angles P-C4'-P energy: -16.924
tors. eta vs tors. theta energy: -7.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -178.223994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.223994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.223994 (E_RNA)
where:
Base-Base interactions energy: -80.226
where: short stacking energy: -67.353
Base-Backbone interact. energy: -0.308
local terms energy: -97.690141
where:
bonds (distance) C4'-P energy: -26.795
bonds (distance) P-C4' energy: -28.187
flat angles C4'-P-C4' energy: -25.086
flat angles P-C4'-P energy: -14.039
tors. eta vs tors. theta energy: -3.585
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: 1
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -612.022845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.022845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.022845 (E_RNA)
where:
Base-Base interactions energy: -423.119
where: short stacking energy: -163.448
Base-Backbone interact. energy: -0.318
local terms energy: -188.585470
where:
bonds (distance) C4'-P energy: -36.895
bonds (distance) P-C4' energy: -41.450
flat angles C4'-P-C4' energy: -36.737
flat angles P-C4'-P energy: -24.187
tors. eta vs tors. theta energy: -49.317
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: 8
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -593.796681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.796681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.796681 (E_RNA)
where:
Base-Base interactions energy: -411.054
where: short stacking energy: -178.834
Base-Backbone interact. energy: -0.445
local terms energy: -182.297710
where:
bonds (distance) C4'-P energy: -36.320
bonds (distance) P-C4' energy: -35.881
flat angles C4'-P-C4' energy: -39.945
flat angles P-C4'-P energy: -27.291
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: 3, replica: 2
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -580.567813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.567813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.567813 (E_RNA)
where:
Base-Base interactions energy: -407.818
where: short stacking energy: -149.925
Base-Backbone interact. energy: -0.743
local terms energy: -172.006883
where:
bonds (distance) C4'-P energy: -35.872
bonds (distance) P-C4' energy: -36.913
flat angles C4'-P-C4' energy: -35.689
flat angles P-C4'-P energy: -19.255
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: 4, replica: 6
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -553.966592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.966592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.966592 (E_RNA)
where:
Base-Base interactions energy: -379.400
where: short stacking energy: -160.066
Base-Backbone interact. energy: -0.252
local terms energy: -174.313856
where:
bonds (distance) C4'-P energy: -30.175
bonds (distance) P-C4' energy: -29.516
flat angles C4'-P-C4' energy: -38.681
flat angles P-C4'-P energy: -27.961
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: 5, replica: 5
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -507.536078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.536078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.536078 (E_RNA)
where:
Base-Base interactions energy: -358.211
where: short stacking energy: -158.345
Base-Backbone interact. energy: -0.246
local terms energy: -149.078303
where:
bonds (distance) C4'-P energy: -20.035
bonds (distance) P-C4' energy: -32.034
flat angles C4'-P-C4' energy: -35.265
flat angles P-C4'-P energy: -19.740
tors. eta vs tors. theta energy: -42.005
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: 6, replica: 7
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -460.397871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.397871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.397871 (E_RNA)
where:
Base-Base interactions energy: -317.764
where: short stacking energy: -124.424
Base-Backbone interact. energy: -0.908
local terms energy: -141.726462
where:
bonds (distance) C4'-P energy: -33.022
bonds (distance) P-C4' energy: -33.447
flat angles C4'-P-C4' energy: -26.196
flat angles P-C4'-P energy: -20.958
tors. eta vs tors. theta energy: -28.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -461.223406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.223406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.223406 (E_RNA)
where:
Base-Base interactions energy: -309.221
where: short stacking energy: -146.870
Base-Backbone interact. energy: -0.104
local terms energy: -151.898382
where:
bonds (distance) C4'-P energy: -24.285
bonds (distance) P-C4' energy: -26.552
flat angles C4'-P-C4' energy: -36.161
flat angles P-C4'-P energy: -21.522
tors. eta vs tors. theta energy: -43.378
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: 365
Temperature: 1.250000
Total energy: -368.863993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.863993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.863993 (E_RNA)
where:
Base-Base interactions energy: -240.631
where: short stacking energy: -94.252
Base-Backbone interact. energy: -0.237
local terms energy: -127.995508
where:
bonds (distance) C4'-P energy: -21.645
bonds (distance) P-C4' energy: -28.262
flat angles C4'-P-C4' energy: -33.831
flat angles P-C4'-P energy: -21.064
tors. eta vs tors. theta energy: -23.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -263.606141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.606141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.606141 (E_RNA)
where:
Base-Base interactions energy: -148.699
where: short stacking energy: -74.241
Base-Backbone interact. energy: 0.733
local terms energy: -115.640714
where:
bonds (distance) C4'-P energy: -33.007
bonds (distance) P-C4' energy: -22.767
flat angles C4'-P-C4' energy: -27.166
flat angles P-C4'-P energy: -18.496
tors. eta vs tors. theta energy: -14.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -156.631505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.631505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.631505 (E_RNA)
where:
Base-Base interactions energy: -52.582
where: short stacking energy: -43.276
Base-Backbone interact. energy: -0.746
local terms energy: -103.303602
where:
bonds (distance) C4'-P energy: -34.062
bonds (distance) P-C4' energy: -31.308
flat angles C4'-P-C4' energy: -27.422
flat angles P-C4'-P energy: -19.814
tors. eta vs tors. theta energy: 9.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -609.173560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.173560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.173560 (E_RNA)
where:
Base-Base interactions energy: -435.520
where: short stacking energy: -181.546
Base-Backbone interact. energy: -1.846
local terms energy: -171.807859
where:
bonds (distance) C4'-P energy: -25.713
bonds (distance) P-C4' energy: -33.893
flat angles C4'-P-C4' energy: -38.896
flat angles P-C4'-P energy: -27.459
tors. eta vs tors. theta energy: -45.847
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: 2, replica: 1
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -584.895705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.895705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.895705 (E_RNA)
where:
Base-Base interactions energy: -412.629
where: short stacking energy: -157.820
Base-Backbone interact. energy: -0.853
local terms energy: -171.412837
where:
bonds (distance) C4'-P energy: -30.595
bonds (distance) P-C4' energy: -37.398
flat angles C4'-P-C4' energy: -38.239
flat angles P-C4'-P energy: -21.971
tors. eta vs tors. theta energy: -43.208
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: 2
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -580.718283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.718283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.718283 (E_RNA)
where:
Base-Base interactions energy: -408.772
where: short stacking energy: -172.147
Base-Backbone interact. energy: -0.666
local terms energy: -171.280568
where:
bonds (distance) C4'-P energy: -36.550
bonds (distance) P-C4' energy: -26.863
flat angles C4'-P-C4' energy: -40.392
flat angles P-C4'-P energy: -18.441
tors. eta vs tors. theta energy: -49.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -553.859817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.859817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.859817 (E_RNA)
where:
Base-Base interactions energy: -383.652
where: short stacking energy: -156.136
Base-Backbone interact. energy: -1.282
local terms energy: -168.925803
where:
bonds (distance) C4'-P energy: -28.365
bonds (distance) P-C4' energy: -30.159
flat angles C4'-P-C4' energy: -40.804
flat angles P-C4'-P energy: -29.501
tors. eta vs tors. theta energy: -40.096
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: 7
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -476.179438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.179438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.179438 (E_RNA)
where:
Base-Base interactions energy: -323.275
where: short stacking energy: -126.522
Base-Backbone interact. energy: 0.250
local terms energy: -153.154063
where:
bonds (distance) C4'-P energy: -27.228
bonds (distance) P-C4' energy: -32.521
flat angles C4'-P-C4' energy: -34.135
flat angles P-C4'-P energy: -29.187
tors. eta vs tors. theta energy: -30.084
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: 366
Temperature: 1.150000
Total energy: -490.998003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.998003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.998003 (E_RNA)
where:
Base-Base interactions energy: -339.752
where: short stacking energy: -142.133
Base-Backbone interact. energy: -0.094
local terms energy: -151.151263
where:
bonds (distance) C4'-P energy: -27.852
bonds (distance) P-C4' energy: -25.770
flat angles C4'-P-C4' energy: -33.990
flat angles P-C4'-P energy: -23.204
tors. eta vs tors. theta energy: -40.335
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: 10
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -400.201984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.201984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.201984 (E_RNA)
where:
Base-Base interactions energy: -256.708
where: short stacking energy: -126.966
Base-Backbone interact. energy: 0.606
local terms energy: -144.099254
where:
bonds (distance) C4'-P energy: -27.616
bonds (distance) P-C4' energy: -34.523
flat angles C4'-P-C4' energy: -32.024
flat angles P-C4'-P energy: -22.408
tors. eta vs tors. theta energy: -27.529
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: 9
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -459.459710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.459710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.459710 (E_RNA)
where:
Base-Base interactions energy: -310.632
where: short stacking energy: -135.361
Base-Backbone interact. energy: -0.231
local terms energy: -148.597390
where:
bonds (distance) C4'-P energy: -35.798
bonds (distance) P-C4' energy: -26.545
flat angles C4'-P-C4' energy: -29.421
flat angles P-C4'-P energy: -19.997
tors. eta vs tors. theta energy: -36.837
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: 366
Temperature: 1.300000
Total energy: -278.457619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.457619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.457619 (E_RNA)
where:
Base-Base interactions energy: -152.919
where: short stacking energy: -78.175
Base-Backbone interact. energy: -0.421
local terms energy: -125.117855
where:
bonds (distance) C4'-P energy: -37.493
bonds (distance) P-C4' energy: -31.771
flat angles C4'-P-C4' energy: -28.581
flat angles P-C4'-P energy: -17.179
tors. eta vs tors. theta energy: -10.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -166.981577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.981577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.981577 (E_RNA)
where:
Base-Base interactions energy: -73.633
where: short stacking energy: -53.492
Base-Backbone interact. energy: -0.984
local terms energy: -92.364088
where:
bonds (distance) C4'-P energy: -24.309
bonds (distance) P-C4' energy: -24.352
flat angles C4'-P-C4' energy: -29.538
flat angles P-C4'-P energy: -15.931
tors. eta vs tors. theta energy: 1.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -593.282866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.282866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.282866 (E_RNA)
where:
Base-Base interactions energy: -412.055
where: short stacking energy: -179.089
Base-Backbone interact. energy: -0.786
local terms energy: -180.442181
where:
bonds (distance) C4'-P energy: -36.381
bonds (distance) P-C4' energy: -32.256
flat angles C4'-P-C4' energy: -39.664
flat angles P-C4'-P energy: -25.519
tors. eta vs tors. theta energy: -46.621
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: 367
Temperature: 0.950000
Total energy: -575.295482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.295482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.295482 (E_RNA)
where:
Base-Base interactions energy: -398.229
where: short stacking energy: -170.737
Base-Backbone interact. energy: -1.034
local terms energy: -176.031921
where:
bonds (distance) C4'-P energy: -37.384
bonds (distance) P-C4' energy: -30.074
flat angles C4'-P-C4' energy: -33.331
flat angles P-C4'-P energy: -26.995
tors. eta vs tors. theta energy: -48.248
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: 1
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -569.607722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.607722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.607722 (E_RNA)
where:
Base-Base interactions energy: -391.174
where: short stacking energy: -153.562
Base-Backbone interact. energy: -0.884
local terms energy: -177.549969
where:
bonds (distance) C4'-P energy: -36.061
bonds (distance) P-C4' energy: -39.917
flat angles C4'-P-C4' energy: -35.610
flat angles P-C4'-P energy: -24.614
tors. eta vs tors. theta energy: -41.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -548.473396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.473396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.473396 (E_RNA)
where:
Base-Base interactions energy: -382.264
where: short stacking energy: -150.217
Base-Backbone interact. energy: -0.632
local terms energy: -165.577348
where:
bonds (distance) C4'-P energy: -29.288
bonds (distance) P-C4' energy: -35.985
flat angles C4'-P-C4' energy: -34.965
flat angles P-C4'-P energy: -27.913
tors. eta vs tors. theta energy: -37.427
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: 5, replica: 7
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -466.731407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.731407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.731407 (E_RNA)
where:
Base-Base interactions energy: -316.778
where: short stacking energy: -120.812
Base-Backbone interact. energy: -0.124
local terms energy: -149.829856
where:
bonds (distance) C4'-P energy: -29.888
bonds (distance) P-C4' energy: -31.840
flat angles C4'-P-C4' energy: -30.752
flat angles P-C4'-P energy: -24.836
tors. eta vs tors. theta energy: -32.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -501.950565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.950565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.950565 (E_RNA)
where:
Base-Base interactions energy: -342.243
where: short stacking energy: -144.972
Base-Backbone interact. energy: -0.402
local terms energy: -159.305211
where:
bonds (distance) C4'-P energy: -23.911
bonds (distance) P-C4' energy: -33.782
flat angles C4'-P-C4' energy: -34.054
flat angles P-C4'-P energy: -27.543
tors. eta vs tors. theta energy: -40.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -392.107650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.107650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.107650 (E_RNA)
where:
Base-Base interactions energy: -253.056
where: short stacking energy: -114.561
Base-Backbone interact. energy: -1.367
local terms energy: -137.685031
where:
bonds (distance) C4'-P energy: -34.554
bonds (distance) P-C4' energy: -27.017
flat angles C4'-P-C4' energy: -28.268
flat angles P-C4'-P energy: -22.702
tors. eta vs tors. theta energy: -25.144
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: 9
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -438.553630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.553630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.553630 (E_RNA)
where:
Base-Base interactions energy: -292.685
where: short stacking energy: -129.877
Base-Backbone interact. energy: -0.246
local terms energy: -145.622677
where:
bonds (distance) C4'-P energy: -25.053
bonds (distance) P-C4' energy: -29.981
flat angles C4'-P-C4' energy: -33.062
flat angles P-C4'-P energy: -20.433
tors. eta vs tors. theta energy: -37.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -267.090862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.090862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.090862 (E_RNA)
where:
Base-Base interactions energy: -144.086
where: short stacking energy: -77.302
Base-Backbone interact. energy: 0.015
local terms energy: -123.019905
where:
bonds (distance) C4'-P energy: -34.071
bonds (distance) P-C4' energy: -31.258
flat angles C4'-P-C4' energy: -36.742
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -8.040
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: 3
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -165.047797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.047797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.047797 (E_RNA)
where:
Base-Base interactions energy: -74.662
where: short stacking energy: -59.369
Base-Backbone interact. energy: -0.157
local terms energy: -90.229437
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -29.430
flat angles C4'-P-C4' energy: -34.121
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -2.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -607.637107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.637107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.637107 (E_RNA)
where:
Base-Base interactions energy: -430.588
where: short stacking energy: -165.622
Base-Backbone interact. energy: -1.279
local terms energy: -175.769896
where:
bonds (distance) C4'-P energy: -36.170
bonds (distance) P-C4' energy: -35.198
flat angles C4'-P-C4' energy: -34.835
flat angles P-C4'-P energy: -23.883
tors. eta vs tors. theta energy: -45.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -575.018935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.018935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.018935 (E_RNA)
where:
Base-Base interactions energy: -403.636
where: short stacking energy: -168.537
Base-Backbone interact. energy: -0.706
local terms energy: -170.677341
where:
bonds (distance) C4'-P energy: -34.884
bonds (distance) P-C4' energy: -34.307
flat angles C4'-P-C4' energy: -36.280
flat angles P-C4'-P energy: -24.002
tors. eta vs tors. theta energy: -41.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -589.218271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.218271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.218271 (E_RNA)
where:
Base-Base interactions energy: -413.477
where: short stacking energy: -175.436
Base-Backbone interact. energy: 1.542
local terms energy: -177.283449
where:
bonds (distance) C4'-P energy: -36.135
bonds (distance) P-C4' energy: -28.535
flat angles C4'-P-C4' energy: -40.914
flat angles P-C4'-P energy: -23.576
tors. eta vs tors. theta energy: -48.123
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: 6
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -544.553452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.553452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.553452 (E_RNA)
where:
Base-Base interactions energy: -382.129
where: short stacking energy: -182.604
Base-Backbone interact. energy: -0.100
local terms energy: -162.324314
where:
bonds (distance) C4'-P energy: -29.025
bonds (distance) P-C4' energy: -22.376
flat angles C4'-P-C4' energy: -33.357
flat angles P-C4'-P energy: -28.009
tors. eta vs tors. theta energy: -49.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -494.116460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.116460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.116460 (E_RNA)
where:
Base-Base interactions energy: -341.053
where: short stacking energy: -150.243
Base-Backbone interact. energy: -0.684
local terms energy: -152.379851
where:
bonds (distance) C4'-P energy: -30.557
bonds (distance) P-C4' energy: -25.461
flat angles C4'-P-C4' energy: -35.809
flat angles P-C4'-P energy: -22.300
tors. eta vs tors. theta energy: -38.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -459.094616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.094616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.094616 (E_RNA)
where:
Base-Base interactions energy: -307.937
where: short stacking energy: -133.798
Base-Backbone interact. energy: -0.235
local terms energy: -150.922673
where:
bonds (distance) C4'-P energy: -30.162
bonds (distance) P-C4' energy: -28.941
flat angles C4'-P-C4' energy: -40.853
flat angles P-C4'-P energy: -20.423
tors. eta vs tors. theta energy: -30.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -431.070409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.070409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.070409 (E_RNA)
where:
Base-Base interactions energy: -286.929
where: short stacking energy: -131.150
Base-Backbone interact. energy: 2.972
local terms energy: -147.113281
where:
bonds (distance) C4'-P energy: -22.521
bonds (distance) P-C4' energy: -25.284
flat angles C4'-P-C4' energy: -40.032
flat angles P-C4'-P energy: -23.018
tors. eta vs tors. theta energy: -36.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -368.654978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.654978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.654978 (E_RNA)
where:
Base-Base interactions energy: -235.675
where: short stacking energy: -102.929
Base-Backbone interact. energy: 2.543
local terms energy: -135.522585
where:
bonds (distance) C4'-P energy: -29.035
bonds (distance) P-C4' energy: -32.496
flat angles C4'-P-C4' energy: -25.080
flat angles P-C4'-P energy: -23.739
tors. eta vs tors. theta energy: -25.171
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: 3
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -189.016093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.016093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.016093 (E_RNA)
where:
Base-Base interactions energy: -81.414
where: short stacking energy: -63.370
Base-Backbone interact. energy: -0.299
local terms energy: -107.303205
where:
bonds (distance) C4'-P energy: -26.177
bonds (distance) P-C4' energy: -32.898
flat angles C4'-P-C4' energy: -28.238
flat angles P-C4'-P energy: -18.988
tors. eta vs tors. theta energy: -1.002
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: 10, replica: 4
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -250.147684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.147684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.147684 (E_RNA)
where:
Base-Base interactions energy: -127.327
where: short stacking energy: -77.245
Base-Backbone interact. energy: 2.380
local terms energy: -125.200544
where:
bonds (distance) C4'-P energy: -29.902
bonds (distance) P-C4' energy: -30.972
flat angles C4'-P-C4' energy: -35.407
flat angles P-C4'-P energy: -20.774
tors. eta vs tors. theta energy: -8.146
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: 369
Temperature: 0.900000
Total energy: -602.235672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.235672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.235672 (E_RNA)
where:
Base-Base interactions energy: -427.147
where: short stacking energy: -171.016
Base-Backbone interact. energy: -0.764
local terms energy: -174.324896
where:
bonds (distance) C4'-P energy: -27.724
bonds (distance) P-C4' energy: -36.694
flat angles C4'-P-C4' energy: -36.218
flat angles P-C4'-P energy: -23.860
tors. eta vs tors. theta energy: -49.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -591.207381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.207381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.207381 (E_RNA)
where:
Base-Base interactions energy: -413.027
where: short stacking energy: -174.543
Base-Backbone interact. energy: -0.909
local terms energy: -177.271543
where:
bonds (distance) C4'-P energy: -35.715
bonds (distance) P-C4' energy: -38.772
flat angles C4'-P-C4' energy: -35.740
flat angles P-C4'-P energy: -24.089
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: 3, replica: 1
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -586.726052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.726052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.726052 (E_RNA)
where:
Base-Base interactions energy: -414.493
where: short stacking energy: -176.085
Base-Backbone interact. energy: -2.800
local terms energy: -169.432878
where:
bonds (distance) C4'-P energy: -35.144
bonds (distance) P-C4' energy: -28.464
flat angles C4'-P-C4' energy: -34.805
flat angles P-C4'-P energy: -24.165
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: 4, replica: 6
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -536.472520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.472520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.472520 (E_RNA)
where:
Base-Base interactions energy: -376.399
where: short stacking energy: -152.384
Base-Backbone interact. energy: -0.474
local terms energy: -159.599583
where:
bonds (distance) C4'-P energy: -28.448
bonds (distance) P-C4' energy: -34.877
flat angles C4'-P-C4' energy: -34.179
flat angles P-C4'-P energy: -25.536
tors. eta vs tors. theta energy: -36.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -500.855907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.855907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.855907 (E_RNA)
where:
Base-Base interactions energy: -354.529
where: short stacking energy: -152.287
Base-Backbone interact. energy: 0.993
local terms energy: -147.319885
where:
bonds (distance) C4'-P energy: -25.858
bonds (distance) P-C4' energy: -28.716
flat angles C4'-P-C4' energy: -34.417
flat angles P-C4'-P energy: -18.697
tors. eta vs tors. theta energy: -39.631
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: 9
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -447.762536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.762536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.762536 (E_RNA)
where:
Base-Base interactions energy: -287.414
where: short stacking energy: -128.318
Base-Backbone interact. energy: 0.163
local terms energy: -160.510575
where:
bonds (distance) C4'-P energy: -35.559
bonds (distance) P-C4' energy: -36.542
flat angles C4'-P-C4' energy: -36.419
flat angles P-C4'-P energy: -17.870
tors. eta vs tors. theta energy: -34.121
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: 7
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -460.663783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.663783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.663783 (E_RNA)
where:
Base-Base interactions energy: -329.865
where: short stacking energy: -127.974
Base-Backbone interact. energy: -0.385
local terms energy: -130.413137
where:
bonds (distance) C4'-P energy: -32.005
bonds (distance) P-C4' energy: -27.098
flat angles C4'-P-C4' energy: -31.080
flat angles P-C4'-P energy: -20.968
tors. eta vs tors. theta energy: -19.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -366.072911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.072911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.072911 (E_RNA)
where:
Base-Base interactions energy: -226.005
where: short stacking energy: -104.737
Base-Backbone interact. energy: -1.381
local terms energy: -138.687637
where:
bonds (distance) C4'-P energy: -30.040
bonds (distance) P-C4' energy: -34.653
flat angles C4'-P-C4' energy: -34.974
flat angles P-C4'-P energy: -16.069
tors. eta vs tors. theta energy: -22.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -173.911650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.911650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.911650 (E_RNA)
where:
Base-Base interactions energy: -64.295
where: short stacking energy: -60.848
Base-Backbone interact. energy: -0.524
local terms energy: -109.091772
where:
bonds (distance) C4'-P energy: -29.082
bonds (distance) P-C4' energy: -33.473
flat angles C4'-P-C4' energy: -24.407
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -11.060
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: 10, replica: 4
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -250.440512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.440512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.440512 (E_RNA)
where:
Base-Base interactions energy: -155.532
where: short stacking energy: -75.523
Base-Backbone interact. energy: -1.138
local terms energy: -93.770416
where:
bonds (distance) C4'-P energy: -24.470
bonds (distance) P-C4' energy: -30.709
flat angles C4'-P-C4' energy: -22.790
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: -2.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -610.209022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.209022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.209022 (E_RNA)
where:
Base-Base interactions energy: -429.070
where: short stacking energy: -180.934
Base-Backbone interact. energy: -0.243
local terms energy: -180.896587
where:
bonds (distance) C4'-P energy: -34.188
bonds (distance) P-C4' energy: -38.029
flat angles C4'-P-C4' energy: -36.595
flat angles P-C4'-P energy: -27.910
tors. eta vs tors. theta energy: -44.174
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: 2
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -590.912206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.912206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.912206 (E_RNA)
where:
Base-Base interactions energy: -407.157
where: short stacking energy: -162.025
Base-Backbone interact. energy: -2.211
local terms energy: -181.544039
where:
bonds (distance) C4'-P energy: -33.281
bonds (distance) P-C4' energy: -41.297
flat angles C4'-P-C4' energy: -39.148
flat angles P-C4'-P energy: -24.056
tors. eta vs tors. theta energy: -43.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -578.978295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.978295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.978295 (E_RNA)
where:
Base-Base interactions energy: -403.105
where: short stacking energy: -179.238
Base-Backbone interact. energy: -1.312
local terms energy: -174.561283
where:
bonds (distance) C4'-P energy: -26.499
bonds (distance) P-C4' energy: -35.299
flat angles C4'-P-C4' energy: -37.619
flat angles P-C4'-P energy: -24.808
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: 4, replica: 6
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -543.909585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.909585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.909585 (E_RNA)
where:
Base-Base interactions energy: -376.304
where: short stacking energy: -162.645
Base-Backbone interact. energy: 0.667
local terms energy: -168.272280
where:
bonds (distance) C4'-P energy: -35.958
bonds (distance) P-C4' energy: -32.814
flat angles C4'-P-C4' energy: -35.393
flat angles P-C4'-P energy: -22.117
tors. eta vs tors. theta energy: -41.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -489.228905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.228905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.228905 (E_RNA)
where:
Base-Base interactions energy: -333.865
where: short stacking energy: -137.761
Base-Backbone interact. energy: -0.254
local terms energy: -155.109115
where:
bonds (distance) C4'-P energy: -35.152
bonds (distance) P-C4' energy: -29.756
flat angles C4'-P-C4' energy: -42.041
flat angles P-C4'-P energy: -21.852
tors. eta vs tors. theta energy: -26.308
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: 9
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -449.333986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.333986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.333986 (E_RNA)
where:
Base-Base interactions energy: -310.638
where: short stacking energy: -152.512
Base-Backbone interact. energy: -0.265
local terms energy: -138.430541
where:
bonds (distance) C4'-P energy: -30.675
bonds (distance) P-C4' energy: -20.544
flat angles C4'-P-C4' energy: -27.790
flat angles P-C4'-P energy: -16.436
tors. eta vs tors. theta energy: -42.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -445.837403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.837403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.837403 (E_RNA)
where:
Base-Base interactions energy: -302.443
where: short stacking energy: -129.435
Base-Backbone interact. energy: -0.169
local terms energy: -143.225659
where:
bonds (distance) C4'-P energy: -36.087
bonds (distance) P-C4' energy: -28.583
flat angles C4'-P-C4' energy: -19.968
flat angles P-C4'-P energy: -22.802
tors. eta vs tors. theta energy: -35.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -387.492518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.492518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.492518 (E_RNA)
where:
Base-Base interactions energy: -231.619
where: short stacking energy: -122.776
Base-Backbone interact. energy: -2.277
local terms energy: -153.596722
where:
bonds (distance) C4'-P energy: -34.130
bonds (distance) P-C4' energy: -33.788
flat angles C4'-P-C4' energy: -34.971
flat angles P-C4'-P energy: -16.020
tors. eta vs tors. theta energy: -34.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -265.225000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.225000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.225000 (E_RNA)
where:
Base-Base interactions energy: -147.819
where: short stacking energy: -80.636
Base-Backbone interact. energy: -0.832
local terms energy: -116.573713
where:
bonds (distance) C4'-P energy: -24.512
bonds (distance) P-C4' energy: -26.346
flat angles C4'-P-C4' energy: -28.280
flat angles P-C4'-P energy: -16.064
tors. eta vs tors. theta energy: -21.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -175.787561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.787561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.787561 (E_RNA)
where:
Base-Base interactions energy: -77.267
where: short stacking energy: -60.173
Base-Backbone interact. energy: 0.776
local terms energy: -99.297361
where:
bonds (distance) C4'-P energy: -32.259
bonds (distance) P-C4' energy: -26.898
flat angles C4'-P-C4' energy: -19.992
flat angles P-C4'-P energy: -15.712
tors. eta vs tors. theta energy: -4.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -609.583939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.583939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.583939 (E_RNA)
where:
Base-Base interactions energy: -427.446
where: short stacking energy: -185.863
Base-Backbone interact. energy: -1.117
local terms energy: -181.020939
where:
bonds (distance) C4'-P energy: -32.839
bonds (distance) P-C4' energy: -36.162
flat angles C4'-P-C4' energy: -36.218
flat angles P-C4'-P energy: -28.479
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: 2, replica: 2
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -587.667946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.667946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.667946 (E_RNA)
where:
Base-Base interactions energy: -412.537
where: short stacking energy: -166.201
Base-Backbone interact. energy: -1.466
local terms energy: -173.664828
where:
bonds (distance) C4'-P energy: -34.216
bonds (distance) P-C4' energy: -26.673
flat angles C4'-P-C4' energy: -35.378
flat angles P-C4'-P energy: -26.252
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: 3, replica: 1
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -584.274100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.274100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.274100 (E_RNA)
where:
Base-Base interactions energy: -402.699
where: short stacking energy: -179.500
Base-Backbone interact. energy: -1.298
local terms energy: -180.277902
where:
bonds (distance) C4'-P energy: -34.299
bonds (distance) P-C4' energy: -37.923
flat angles C4'-P-C4' energy: -38.216
flat angles P-C4'-P energy: -25.224
tors. eta vs tors. theta energy: -44.616
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: 6
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -546.094335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.094335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.094335 (E_RNA)
where:
Base-Base interactions energy: -375.232
where: short stacking energy: -164.336
Base-Backbone interact. energy: -1.046
local terms energy: -169.816581
where:
bonds (distance) C4'-P energy: -26.545
bonds (distance) P-C4' energy: -33.522
flat angles C4'-P-C4' energy: -36.689
flat angles P-C4'-P energy: -29.044
tors. eta vs tors. theta energy: -44.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -488.300626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.300626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.300626 (E_RNA)
where:
Base-Base interactions energy: -347.843
where: short stacking energy: -142.959
Base-Backbone interact. energy: -0.538
local terms energy: -139.919950
where:
bonds (distance) C4'-P energy: -23.411
bonds (distance) P-C4' energy: -29.131
flat angles C4'-P-C4' energy: -34.023
flat angles P-C4'-P energy: -20.168
tors. eta vs tors. theta energy: -33.187
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: 6, replica: 7
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -459.545616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.545616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.545616 (E_RNA)
where:
Base-Base interactions energy: -318.796
where: short stacking energy: -131.371
Base-Backbone interact. energy: -0.910
local terms energy: -139.840065
where:
bonds (distance) C4'-P energy: -25.773
bonds (distance) P-C4' energy: -32.131
flat angles C4'-P-C4' energy: -33.098
flat angles P-C4'-P energy: -18.653
tors. eta vs tors. theta energy: -30.185
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: 9
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -453.320220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.320220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.320220 (E_RNA)
where:
Base-Base interactions energy: -306.806
where: short stacking energy: -148.197
Base-Backbone interact. energy: -1.234
local terms energy: -145.280017
where:
bonds (distance) C4'-P energy: -26.226
bonds (distance) P-C4' energy: -33.982
flat angles C4'-P-C4' energy: -29.792
flat angles P-C4'-P energy: -20.029
tors. eta vs tors. theta energy: -35.251
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: 371
Temperature: 1.250000
Total energy: -363.795959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.795959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.795959 (E_RNA)
where:
Base-Base interactions energy: -230.903
where: short stacking energy: -104.244
Base-Backbone interact. energy: 2.262
local terms energy: -135.155870
where:
bonds (distance) C4'-P energy: -34.120
bonds (distance) P-C4' energy: -29.793
flat angles C4'-P-C4' energy: -29.407
flat angles P-C4'-P energy: -20.889
tors. eta vs tors. theta energy: -20.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -251.595398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.595398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.595398 (E_RNA)
where:
Base-Base interactions energy: -141.371
where: short stacking energy: -79.346
Base-Backbone interact. energy: -0.958
local terms energy: -109.266192
where:
bonds (distance) C4'-P energy: -29.430
bonds (distance) P-C4' energy: -31.656
flat angles C4'-P-C4' energy: -27.379
flat angles P-C4'-P energy: -17.863
tors. eta vs tors. theta energy: -2.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -220.271423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.271423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.271423 (E_RNA)
where:
Base-Base interactions energy: -112.036
where: short stacking energy: -60.863
Base-Backbone interact. energy: -0.665
local terms energy: -107.571233
where:
bonds (distance) C4'-P energy: -34.191
bonds (distance) P-C4' energy: -30.946
flat angles C4'-P-C4' energy: -25.116
flat angles P-C4'-P energy: -15.597
tors. eta vs tors. theta energy: -1.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -609.802852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.802852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.802852 (E_RNA)
where:
Base-Base interactions energy: -431.126
where: short stacking energy: -178.345
Base-Backbone interact. energy: -0.992
local terms energy: -177.684528
where:
bonds (distance) C4'-P energy: -34.717
bonds (distance) P-C4' energy: -36.565
flat angles C4'-P-C4' energy: -36.802
flat angles P-C4'-P energy: -20.195
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: 2, replica: 2
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -592.623889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.623889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.623889 (E_RNA)
where:
Base-Base interactions energy: -410.843
where: short stacking energy: -168.827
Base-Backbone interact. energy: -1.204
local terms energy: -180.576574
where:
bonds (distance) C4'-P energy: -35.550
bonds (distance) P-C4' energy: -33.351
flat angles C4'-P-C4' energy: -37.453
flat angles P-C4'-P energy: -26.226
tors. eta vs tors. theta energy: -47.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -584.527138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.527138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.527138 (E_RNA)
where:
Base-Base interactions energy: -419.690
where: short stacking energy: -169.924
Base-Backbone interact. energy: -2.153
local terms energy: -162.683860
where:
bonds (distance) C4'-P energy: -30.299
bonds (distance) P-C4' energy: -32.799
flat angles C4'-P-C4' energy: -33.356
flat angles P-C4'-P energy: -21.355
tors. eta vs tors. theta energy: -44.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -554.652743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.652743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.652743 (E_RNA)
where:
Base-Base interactions energy: -388.860
where: short stacking energy: -166.270
Base-Backbone interact. energy: -0.375
local terms energy: -165.417872
where:
bonds (distance) C4'-P energy: -27.440
bonds (distance) P-C4' energy: -32.556
flat angles C4'-P-C4' energy: -29.213
flat angles P-C4'-P energy: -28.002
tors. eta vs tors. theta energy: -48.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -535.103593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.103593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.103593 (E_RNA)
where:
Base-Base interactions energy: -372.377
where: short stacking energy: -167.037
Base-Backbone interact. energy: -0.113
local terms energy: -162.613385
where:
bonds (distance) C4'-P energy: -27.840
bonds (distance) P-C4' energy: -31.918
flat angles C4'-P-C4' energy: -35.178
flat angles P-C4'-P energy: -24.571
tors. eta vs tors. theta energy: -43.107
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: 7
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -469.271241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.271241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.271241 (E_RNA)
where:
Base-Base interactions energy: -320.610
where: short stacking energy: -128.751
Base-Backbone interact. energy: -0.065
local terms energy: -148.595784
where:
bonds (distance) C4'-P energy: -27.191
bonds (distance) P-C4' energy: -36.407
flat angles C4'-P-C4' energy: -31.577
flat angles P-C4'-P energy: -18.699
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: 9
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -472.341461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.341461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.341461 (E_RNA)
where:
Base-Base interactions energy: -321.822
where: short stacking energy: -140.032
Base-Backbone interact. energy: 0.172
local terms energy: -150.691342
where:
bonds (distance) C4'-P energy: -34.458
bonds (distance) P-C4' energy: -27.150
flat angles C4'-P-C4' energy: -31.180
flat angles P-C4'-P energy: -24.261
tors. eta vs tors. theta energy: -33.643
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: 372
Temperature: 1.250000
Total energy: -363.419630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.419630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.419630 (E_RNA)
where:
Base-Base interactions energy: -224.875
where: short stacking energy: -103.584
Base-Backbone interact. energy: -0.575
local terms energy: -137.969594
where:
bonds (distance) C4'-P energy: -28.755
bonds (distance) P-C4' energy: -29.714
flat angles C4'-P-C4' energy: -35.931
flat angles P-C4'-P energy: -26.323
tors. eta vs tors. theta energy: -17.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -250.949946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.949946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.949946 (E_RNA)
where:
Base-Base interactions energy: -133.514
where: short stacking energy: -88.483
Base-Backbone interact. energy: 4.968
local terms energy: -122.403611
where:
bonds (distance) C4'-P energy: -26.623
bonds (distance) P-C4' energy: -33.093
flat angles C4'-P-C4' energy: -33.702
flat angles P-C4'-P energy: -16.599
tors. eta vs tors. theta energy: -12.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -256.878607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.878607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.878607 (E_RNA)
where:
Base-Base interactions energy: -153.429
where: short stacking energy: -67.214
Base-Backbone interact. energy: -1.104
local terms energy: -102.344998
where:
bonds (distance) C4'-P energy: -18.237
bonds (distance) P-C4' energy: -20.084
flat angles C4'-P-C4' energy: -32.846
flat angles P-C4'-P energy: -18.268
tors. eta vs tors. theta energy: -12.909
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: 8
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -610.533037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.533037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.533037 (E_RNA)
where:
Base-Base interactions energy: -424.062
where: short stacking energy: -168.447
Base-Backbone interact. energy: -0.711
local terms energy: -185.760293
where:
bonds (distance) C4'-P energy: -35.280
bonds (distance) P-C4' energy: -39.355
flat angles C4'-P-C4' energy: -39.669
flat angles P-C4'-P energy: -22.070
tors. eta vs tors. theta energy: -49.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -604.813282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.813282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.813282 (E_RNA)
where:
Base-Base interactions energy: -424.615
where: short stacking energy: -168.807
Base-Backbone interact. energy: -0.942
local terms energy: -179.257154
where:
bonds (distance) C4'-P energy: -30.312
bonds (distance) P-C4' energy: -40.955
flat angles C4'-P-C4' energy: -37.980
flat angles P-C4'-P energy: -22.868
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: 3, replica: 2
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -592.414876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.414876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.414876 (E_RNA)
where:
Base-Base interactions energy: -408.389
where: short stacking energy: -174.837
Base-Backbone interact. energy: -0.657
local terms energy: -183.369068
where:
bonds (distance) C4'-P energy: -33.876
bonds (distance) P-C4' energy: -33.404
flat angles C4'-P-C4' energy: -39.033
flat angles P-C4'-P energy: -26.015
tors. eta vs tors. theta energy: -51.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -562.953925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.953925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.953925 (E_RNA)
where:
Base-Base interactions energy: -386.402
where: short stacking energy: -167.740
Base-Backbone interact. energy: -0.314
local terms energy: -176.237262
where:
bonds (distance) C4'-P energy: -30.675
bonds (distance) P-C4' energy: -34.107
flat angles C4'-P-C4' energy: -36.456
flat angles P-C4'-P energy: -24.308
tors. eta vs tors. theta energy: -50.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -525.683777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.683777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.683777 (E_RNA)
where:
Base-Base interactions energy: -366.279
where: short stacking energy: -157.889
Base-Backbone interact. energy: -0.233
local terms energy: -159.171394
where:
bonds (distance) C4'-P energy: -27.128
bonds (distance) P-C4' energy: -34.211
flat angles C4'-P-C4' energy: -35.085
flat angles P-C4'-P energy: -23.715
tors. eta vs tors. theta energy: -39.033
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: 7
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -481.727184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.727184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.727184 (E_RNA)
where:
Base-Base interactions energy: -330.591
where: short stacking energy: -140.317
Base-Backbone interact. energy: -0.135
local terms energy: -151.000493
where:
bonds (distance) C4'-P energy: -31.686
bonds (distance) P-C4' energy: -32.513
flat angles C4'-P-C4' energy: -31.942
flat angles P-C4'-P energy: -23.036
tors. eta vs tors. theta energy: -31.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -436.579744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.579744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.579744 (E_RNA)
where:
Base-Base interactions energy: -290.960
where: short stacking energy: -134.481
Base-Backbone interact. energy: -0.581
local terms energy: -145.039508
where:
bonds (distance) C4'-P energy: -31.600
bonds (distance) P-C4' energy: -34.580
flat angles C4'-P-C4' energy: -30.910
flat angles P-C4'-P energy: -22.310
tors. eta vs tors. theta energy: -25.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -371.918996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.918996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.918996 (E_RNA)
where:
Base-Base interactions energy: -235.861
where: short stacking energy: -120.636
Base-Backbone interact. energy: -0.993
local terms energy: -135.065153
where:
bonds (distance) C4'-P energy: -23.790
bonds (distance) P-C4' energy: -33.470
flat angles C4'-P-C4' energy: -30.858
flat angles P-C4'-P energy: -17.672
tors. eta vs tors. theta energy: -29.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -237.274784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.274784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.274784 (E_RNA)
where:
Base-Base interactions energy: -121.137
where: short stacking energy: -73.316
Base-Backbone interact. energy: 0.005
local terms energy: -116.142809
where:
bonds (distance) C4'-P energy: -24.284
bonds (distance) P-C4' energy: -32.531
flat angles C4'-P-C4' energy: -24.444
flat angles P-C4'-P energy: -24.841
tors. eta vs tors. theta energy: -10.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -261.436675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.436675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.436675 (E_RNA)
where:
Base-Base interactions energy: -151.605
where: short stacking energy: -73.930
Base-Backbone interact. energy: -0.089
local terms energy: -109.742648
where:
bonds (distance) C4'-P energy: -22.438
bonds (distance) P-C4' energy: -34.840
flat angles C4'-P-C4' energy: -29.409
flat angles P-C4'-P energy: -19.001
tors. eta vs tors. theta energy: -4.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -609.322383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.322383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.322383 (E_RNA)
where:
Base-Base interactions energy: -421.514
where: short stacking energy: -182.516
Base-Backbone interact. energy: -1.250
local terms energy: -186.557965
where:
bonds (distance) C4'-P energy: -32.937
bonds (distance) P-C4' energy: -33.958
flat angles C4'-P-C4' energy: -39.717
flat angles P-C4'-P energy: -27.979
tors. eta vs tors. theta energy: -51.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -580.814289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.814289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.814289 (E_RNA)
where:
Base-Base interactions energy: -409.852
where: short stacking energy: -175.177
Base-Backbone interact. energy: -0.267
local terms energy: -170.694951
where:
bonds (distance) C4'-P energy: -30.097
bonds (distance) P-C4' energy: -28.206
flat angles C4'-P-C4' energy: -36.216
flat angles P-C4'-P energy: -27.927
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: 374
Temperature: 1.000000
Total energy: -574.172979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.172979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.172979 (E_RNA)
where:
Base-Base interactions energy: -407.210
where: short stacking energy: -159.644
Base-Backbone interact. energy: 0.028
local terms energy: -166.990836
where:
bonds (distance) C4'-P energy: -32.270
bonds (distance) P-C4' energy: -35.616
flat angles C4'-P-C4' energy: -31.426
flat angles P-C4'-P energy: -25.891
tors. eta vs tors. theta energy: -41.788
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: 374
Temperature: 1.050000
Total energy: -539.818444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.818444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.818444 (E_RNA)
where:
Base-Base interactions energy: -385.122
where: short stacking energy: -162.470
Base-Backbone interact. energy: 2.102
local terms energy: -156.798190
where:
bonds (distance) C4'-P energy: -33.652
bonds (distance) P-C4' energy: -24.662
flat angles C4'-P-C4' energy: -38.877
flat angles P-C4'-P energy: -21.274
tors. eta vs tors. theta energy: -38.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -537.228525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.228525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.228525 (E_RNA)
where:
Base-Base interactions energy: -375.792
where: short stacking energy: -153.381
Base-Backbone interact. energy: -0.814
local terms energy: -160.622720
where:
bonds (distance) C4'-P energy: -19.235
bonds (distance) P-C4' energy: -35.303
flat angles C4'-P-C4' energy: -37.433
flat angles P-C4'-P energy: -25.386
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: 6, replica: 7
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -454.485660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.485660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.485660 (E_RNA)
where:
Base-Base interactions energy: -321.945
where: short stacking energy: -134.118
Base-Backbone interact. energy: -1.233
local terms energy: -131.307558
where:
bonds (distance) C4'-P energy: -22.776
bonds (distance) P-C4' energy: -30.824
flat angles C4'-P-C4' energy: -26.909
flat angles P-C4'-P energy: -24.472
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: 7, replica: 10
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -379.105368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.105368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.105368 (E_RNA)
where:
Base-Base interactions energy: -252.508
where: short stacking energy: -119.311
Base-Backbone interact. energy: -0.655
local terms energy: -125.942659
where:
bonds (distance) C4'-P energy: -22.933
bonds (distance) P-C4' energy: -28.727
flat angles C4'-P-C4' energy: -27.665
flat angles P-C4'-P energy: -15.399
tors. eta vs tors. theta energy: -31.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -426.063316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.063316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.063316 (E_RNA)
where:
Base-Base interactions energy: -293.040
where: short stacking energy: -125.080
Base-Backbone interact. energy: 4.254
local terms energy: -137.277693
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -34.866
flat angles C4'-P-C4' energy: -35.159
flat angles P-C4'-P energy: -22.864
tors. eta vs tors. theta energy: -28.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -266.226719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.226719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.226719 (E_RNA)
where:
Base-Base interactions energy: -141.357
where: short stacking energy: -82.040
Base-Backbone interact. energy: 0.232
local terms energy: -125.101501
where:
bonds (distance) C4'-P energy: -29.159
bonds (distance) P-C4' energy: -31.166
flat angles C4'-P-C4' energy: -28.618
flat angles P-C4'-P energy: -20.675
tors. eta vs tors. theta energy: -15.484
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: 10, replica: 4
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -225.835406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.835406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.835406 (E_RNA)
where:
Base-Base interactions energy: -128.739
where: short stacking energy: -64.453
Base-Backbone interact. energy: -1.557
local terms energy: -95.538731
where:
bonds (distance) C4'-P energy: -22.615
bonds (distance) P-C4' energy: -27.712
flat angles C4'-P-C4' energy: -19.379
flat angles P-C4'-P energy: -19.452
tors. eta vs tors. theta energy: -6.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -606.890929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.890929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.890929 (E_RNA)
where:
Base-Base interactions energy: -418.017
where: short stacking energy: -181.397
Base-Backbone interact. energy: -2.321
local terms energy: -186.553397
where:
bonds (distance) C4'-P energy: -34.887
bonds (distance) P-C4' energy: -32.783
flat angles C4'-P-C4' energy: -37.170
flat angles P-C4'-P energy: -26.005
tors. eta vs tors. theta energy: -55.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -600.623523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.623523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.623523 (E_RNA)
where:
Base-Base interactions energy: -418.272
where: short stacking energy: -172.628
Base-Backbone interact. energy: -2.186
local terms energy: -180.165274
where:
bonds (distance) C4'-P energy: -32.742
bonds (distance) P-C4' energy: -36.026
flat angles C4'-P-C4' energy: -40.461
flat angles P-C4'-P energy: -27.308
tors. eta vs tors. theta energy: -43.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -576.623952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.623952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.623952 (E_RNA)
where:
Base-Base interactions energy: -410.457
where: short stacking energy: -160.101
Base-Backbone interact. energy: -1.110
local terms energy: -165.056971
where:
bonds (distance) C4'-P energy: -21.244
bonds (distance) P-C4' energy: -35.247
flat angles C4'-P-C4' energy: -35.966
flat angles P-C4'-P energy: -23.426
tors. eta vs tors. theta energy: -49.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -545.935994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.935994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.935994 (E_RNA)
where:
Base-Base interactions energy: -378.945
where: short stacking energy: -159.222
Base-Backbone interact. energy: -0.208
local terms energy: -166.783370
where:
bonds (distance) C4'-P energy: -33.408
bonds (distance) P-C4' energy: -26.991
flat angles C4'-P-C4' energy: -34.202
flat angles P-C4'-P energy: -28.836
tors. eta vs tors. theta energy: -43.346
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: 5, replica: 5
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -531.560041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.560041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.560041 (E_RNA)
where:
Base-Base interactions energy: -381.768
where: short stacking energy: -164.533
Base-Backbone interact. energy: -0.141
local terms energy: -149.650541
where:
bonds (distance) C4'-P energy: -24.358
bonds (distance) P-C4' energy: -27.721
flat angles C4'-P-C4' energy: -35.144
flat angles P-C4'-P energy: -18.768
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: 6, replica: 7
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -457.196073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.196073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.196073 (E_RNA)
where:
Base-Base interactions energy: -317.036
where: short stacking energy: -127.699
Base-Backbone interact. energy: -0.579
local terms energy: -139.580773
where:
bonds (distance) C4'-P energy: -25.924
bonds (distance) P-C4' energy: -28.576
flat angles C4'-P-C4' energy: -37.034
flat angles P-C4'-P energy: -19.618
tors. eta vs tors. theta energy: -28.428
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: 10
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -369.771485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.771485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.771485 (E_RNA)
where:
Base-Base interactions energy: -229.348
where: short stacking energy: -116.222
Base-Backbone interact. energy: -0.735
local terms energy: -139.687902
where:
bonds (distance) C4'-P energy: -38.534
bonds (distance) P-C4' energy: -27.946
flat angles C4'-P-C4' energy: -36.305
flat angles P-C4'-P energy: -19.807
tors. eta vs tors. theta energy: -17.096
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: 8, replica: 9
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -444.626339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.626339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.626339 (E_RNA)
where:
Base-Base interactions energy: -302.789
where: short stacking energy: -132.709
Base-Backbone interact. energy: -0.625
local terms energy: -141.212421
where:
bonds (distance) C4'-P energy: -23.526
bonds (distance) P-C4' energy: -37.341
flat angles C4'-P-C4' energy: -33.245
flat angles P-C4'-P energy: -22.068
tors. eta vs tors. theta energy: -25.031
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: 375
Temperature: 1.300000
Total energy: -246.197187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.197187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.197187 (E_RNA)
where:
Base-Base interactions energy: -139.889
where: short stacking energy: -81.348
Base-Backbone interact. energy: -0.954
local terms energy: -105.353981
where:
bonds (distance) C4'-P energy: -22.227
bonds (distance) P-C4' energy: -25.864
flat angles C4'-P-C4' energy: -28.163
flat angles P-C4'-P energy: -13.440
tors. eta vs tors. theta energy: -15.659
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: 10, replica: 4
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -266.130408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.130408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.130408 (E_RNA)
where:
Base-Base interactions energy: -154.076
where: short stacking energy: -80.158
Base-Backbone interact. energy: -1.419
local terms energy: -110.635336
where:
bonds (distance) C4'-P energy: -25.774
bonds (distance) P-C4' energy: -33.728
flat angles C4'-P-C4' energy: -23.403
flat angles P-C4'-P energy: -17.677
tors. eta vs tors. theta energy: -10.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -607.667683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.667683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.667683 (E_RNA)
where:
Base-Base interactions energy: -421.080
where: short stacking energy: -179.174
Base-Backbone interact. energy: 0.711
local terms energy: -187.299183
where:
bonds (distance) C4'-P energy: -31.600
bonds (distance) P-C4' energy: -39.180
flat angles C4'-P-C4' energy: -39.085
flat angles P-C4'-P energy: -28.172
tors. eta vs tors. theta energy: -49.263
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: 8
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -585.304738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.304738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.304738 (E_RNA)
where:
Base-Base interactions energy: -410.243
where: short stacking energy: -165.570
Base-Backbone interact. energy: -0.095
local terms energy: -174.966727
where:
bonds (distance) C4'-P energy: -36.962
bonds (distance) P-C4' energy: -31.957
flat angles C4'-P-C4' energy: -34.799
flat angles P-C4'-P energy: -26.307
tors. eta vs tors. theta energy: -44.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -587.830341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.830341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.830341 (E_RNA)
where:
Base-Base interactions energy: -417.316
where: short stacking energy: -176.958
Base-Backbone interact. energy: -0.522
local terms energy: -169.991923
where:
bonds (distance) C4'-P energy: -30.101
bonds (distance) P-C4' energy: -28.985
flat angles C4'-P-C4' energy: -36.368
flat angles P-C4'-P energy: -25.229
tors. eta vs tors. theta energy: -49.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -546.907358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.907358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.907358 (E_RNA)
where:
Base-Base interactions energy: -373.699
where: short stacking energy: -155.516
Base-Backbone interact. energy: -0.549
local terms energy: -172.659441
where:
bonds (distance) C4'-P energy: -34.784
bonds (distance) P-C4' energy: -37.117
flat angles C4'-P-C4' energy: -35.825
flat angles P-C4'-P energy: -23.428
tors. eta vs tors. theta energy: -41.505
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: 5, replica: 5
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -491.807263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.807263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.807263 (E_RNA)
where:
Base-Base interactions energy: -345.501
where: short stacking energy: -141.933
Base-Backbone interact. energy: 0.363
local terms energy: -146.669497
where:
bonds (distance) C4'-P energy: -27.049
bonds (distance) P-C4' energy: -32.982
flat angles C4'-P-C4' energy: -34.540
flat angles P-C4'-P energy: -16.701
tors. eta vs tors. theta energy: -35.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -458.932937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.932937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.932937 (E_RNA)
where:
Base-Base interactions energy: -320.082
where: short stacking energy: -132.170
Base-Backbone interact. energy: -0.940
local terms energy: -137.910893
where:
bonds (distance) C4'-P energy: -26.234
bonds (distance) P-C4' energy: -31.564
flat angles C4'-P-C4' energy: -28.649
flat angles P-C4'-P energy: -19.474
tors. eta vs tors. theta energy: -31.990
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: 9
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -432.869881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.869881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.869881 (E_RNA)
where:
Base-Base interactions energy: -298.159
where: short stacking energy: -139.762
Base-Backbone interact. energy: -0.286
local terms energy: -134.424881
where:
bonds (distance) C4'-P energy: -21.065
bonds (distance) P-C4' energy: -39.917
flat angles C4'-P-C4' energy: -30.118
flat angles P-C4'-P energy: -14.564
tors. eta vs tors. theta energy: -28.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -415.262071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.262071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.262071 (E_RNA)
where:
Base-Base interactions energy: -276.611
where: short stacking energy: -115.070
Base-Backbone interact. energy: -0.000
local terms energy: -138.650516
where:
bonds (distance) C4'-P energy: -33.380
bonds (distance) P-C4' energy: -32.535
flat angles C4'-P-C4' energy: -33.705
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -26.864
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: 4
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -279.248112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.248112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.248112 (E_RNA)
where:
Base-Base interactions energy: -168.272
where: short stacking energy: -74.423
Base-Backbone interact. energy: 0.246
local terms energy: -111.221795
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -32.677
flat angles C4'-P-C4' energy: -28.258
flat angles P-C4'-P energy: -20.948
tors. eta vs tors. theta energy: -12.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -235.996574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.996574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.996574 (E_RNA)
where:
Base-Base interactions energy: -116.640
where: short stacking energy: -58.840
Base-Backbone interact. energy: -0.355
local terms energy: -119.001529
where:
bonds (distance) C4'-P energy: -31.795
bonds (distance) P-C4' energy: -36.883
flat angles C4'-P-C4' energy: -25.999
flat angles P-C4'-P energy: -19.913
tors. eta vs tors. theta energy: -4.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -610.179728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.179728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.179728 (E_RNA)
where:
Base-Base interactions energy: -427.078
where: short stacking energy: -167.378
Base-Backbone interact. energy: -0.119
local terms energy: -182.981957
where:
bonds (distance) C4'-P energy: -34.183
bonds (distance) P-C4' energy: -33.184
flat angles C4'-P-C4' energy: -38.092
flat angles P-C4'-P energy: -28.857
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: 2, replica: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -590.155469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.155469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.155469 (E_RNA)
where:
Base-Base interactions energy: -411.243
where: short stacking energy: -164.118
Base-Backbone interact. energy: -0.928
local terms energy: -177.984106
where:
bonds (distance) C4'-P energy: -30.777
bonds (distance) P-C4' energy: -30.252
flat angles C4'-P-C4' energy: -39.637
flat angles P-C4'-P energy: -30.157
tors. eta vs tors. theta energy: -47.162
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: 3, replica: 8
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -577.164431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.164431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.164431 (E_RNA)
where:
Base-Base interactions energy: -400.508
where: short stacking energy: -162.256
Base-Backbone interact. energy: 0.405
local terms energy: -177.061921
where:
bonds (distance) C4'-P energy: -29.008
bonds (distance) P-C4' energy: -35.385
flat angles C4'-P-C4' energy: -41.213
flat angles P-C4'-P energy: -23.101
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: 4, replica: 6
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -540.307593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.307593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.307593 (E_RNA)
where:
Base-Base interactions energy: -366.612
where: short stacking energy: -151.709
Base-Backbone interact. energy: 1.323
local terms energy: -175.018710
where:
bonds (distance) C4'-P energy: -33.281
bonds (distance) P-C4' energy: -38.882
flat angles C4'-P-C4' energy: -33.849
flat angles P-C4'-P energy: -26.760
tors. eta vs tors. theta energy: -42.246
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: 5, replica: 5
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -482.042693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.042693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.042693 (E_RNA)
where:
Base-Base interactions energy: -330.803
where: short stacking energy: -122.005
Base-Backbone interact. energy: -0.577
local terms energy: -150.662560
where:
bonds (distance) C4'-P energy: -30.472
bonds (distance) P-C4' energy: -37.649
flat angles C4'-P-C4' energy: -29.569
flat angles P-C4'-P energy: -26.252
tors. eta vs tors. theta energy: -26.720
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: 7
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -482.238450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.238450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.238450 (E_RNA)
where:
Base-Base interactions energy: -320.866
where: short stacking energy: -139.726
Base-Backbone interact. energy: -0.479
local terms energy: -160.893299
where:
bonds (distance) C4'-P energy: -31.961
bonds (distance) P-C4' energy: -37.791
flat angles C4'-P-C4' energy: -33.577
flat angles P-C4'-P energy: -20.947
tors. eta vs tors. theta energy: -36.617
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: 9
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -419.255786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.255786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.255786 (E_RNA)
where:
Base-Base interactions energy: -273.366
where: short stacking energy: -131.604
Base-Backbone interact. energy: -0.712
local terms energy: -145.177395
where:
bonds (distance) C4'-P energy: -19.246
bonds (distance) P-C4' energy: -31.817
flat angles C4'-P-C4' energy: -35.682
flat angles P-C4'-P energy: -19.353
tors. eta vs tors. theta energy: -39.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -366.453479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.453479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.453479 (E_RNA)
where:
Base-Base interactions energy: -238.324
where: short stacking energy: -114.515
Base-Backbone interact. energy: -0.892
local terms energy: -127.236628
where:
bonds (distance) C4'-P energy: -30.847
bonds (distance) P-C4' energy: -31.420
flat angles C4'-P-C4' energy: -28.730
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -23.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -268.071165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.071165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.071165 (E_RNA)
where:
Base-Base interactions energy: -151.454
where: short stacking energy: -85.834
Base-Backbone interact. energy: -2.351
local terms energy: -114.265576
where:
bonds (distance) C4'-P energy: -26.768
bonds (distance) P-C4' energy: -26.029
flat angles C4'-P-C4' energy: -31.197
flat angles P-C4'-P energy: -16.558
tors. eta vs tors. theta energy: -13.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -228.969430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.969430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.969430 (E_RNA)
where:
Base-Base interactions energy: -119.151
where: short stacking energy: -70.518
Base-Backbone interact. energy: -0.554
local terms energy: -109.264562
where:
bonds (distance) C4'-P energy: -27.015
bonds (distance) P-C4' energy: -28.878
flat angles C4'-P-C4' energy: -30.792
flat angles P-C4'-P energy: -20.743
tors. eta vs tors. theta energy: -1.836
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: 1
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -629.825565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.825565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.825565 (E_RNA)
where:
Base-Base interactions energy: -437.877
where: short stacking energy: -178.396
Base-Backbone interact. energy: -1.230
local terms energy: -190.718837
where:
bonds (distance) C4'-P energy: -39.668
bonds (distance) P-C4' energy: -36.069
flat angles C4'-P-C4' energy: -36.594
flat angles P-C4'-P energy: -30.750
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: 2, replica: 2
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -601.321954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.321954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.321954 (E_RNA)
where:
Base-Base interactions energy: -414.121
where: short stacking energy: -171.958
Base-Backbone interact. energy: -1.218
local terms energy: -185.982565
where:
bonds (distance) C4'-P energy: -27.678
bonds (distance) P-C4' energy: -39.455
flat angles C4'-P-C4' energy: -38.954
flat angles P-C4'-P energy: -27.356
tors. eta vs tors. theta energy: -52.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -564.422554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.422554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.422554 (E_RNA)
where:
Base-Base interactions energy: -401.598
where: short stacking energy: -156.947
Base-Backbone interact. energy: 0.315
local terms energy: -163.139733
where:
bonds (distance) C4'-P energy: -31.582
bonds (distance) P-C4' energy: -29.505
flat angles C4'-P-C4' energy: -37.744
flat angles P-C4'-P energy: -22.605
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: 4, replica: 6
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -523.305397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.305397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.305397 (E_RNA)
where:
Base-Base interactions energy: -374.636
where: short stacking energy: -152.064
Base-Backbone interact. energy: -0.039
local terms energy: -148.630386
where:
bonds (distance) C4'-P energy: -24.206
bonds (distance) P-C4' energy: -23.780
flat angles C4'-P-C4' energy: -31.249
flat angles P-C4'-P energy: -31.511
tors. eta vs tors. theta energy: -37.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -517.533475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.533475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.533475 (E_RNA)
where:
Base-Base interactions energy: -353.685
where: short stacking energy: -155.391
Base-Backbone interact. energy: -0.232
local terms energy: -163.616606
where:
bonds (distance) C4'-P energy: -28.562
bonds (distance) P-C4' energy: -34.156
flat angles C4'-P-C4' energy: -38.782
flat angles P-C4'-P energy: -20.402
tors. eta vs tors. theta energy: -41.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -478.202162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.202162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.202162 (E_RNA)
where:
Base-Base interactions energy: -309.365
where: short stacking energy: -131.614
Base-Backbone interact. energy: 1.717
local terms energy: -170.554419
where:
bonds (distance) C4'-P energy: -32.494
bonds (distance) P-C4' energy: -38.653
flat angles C4'-P-C4' energy: -33.031
flat angles P-C4'-P energy: -28.933
tors. eta vs tors. theta energy: -37.443
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: 9
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -420.963022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.963022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.963022 (E_RNA)
where:
Base-Base interactions energy: -289.233
where: short stacking energy: -131.650
Base-Backbone interact. energy: -0.711
local terms energy: -131.019241
where:
bonds (distance) C4'-P energy: -24.708
bonds (distance) P-C4' energy: -26.282
flat angles C4'-P-C4' energy: -30.148
flat angles P-C4'-P energy: -15.823
tors. eta vs tors. theta energy: -34.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -375.306809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.306809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.306809 (E_RNA)
where:
Base-Base interactions energy: -231.448
where: short stacking energy: -121.514
Base-Backbone interact. energy: 0.950
local terms energy: -144.808171
where:
bonds (distance) C4'-P energy: -27.104
bonds (distance) P-C4' energy: -31.717
flat angles C4'-P-C4' energy: -32.453
flat angles P-C4'-P energy: -23.057
tors. eta vs tors. theta energy: -30.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -248.928591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.928591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.928591 (E_RNA)
where:
Base-Base interactions energy: -133.907
where: short stacking energy: -81.519
Base-Backbone interact. energy: -0.232
local terms energy: -114.790435
where:
bonds (distance) C4'-P energy: -28.534
bonds (distance) P-C4' energy: -32.059
flat angles C4'-P-C4' energy: -25.703
flat angles P-C4'-P energy: -14.941
tors. eta vs tors. theta energy: -13.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -250.635793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.635793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.635793 (E_RNA)
where:
Base-Base interactions energy: -143.316
where: short stacking energy: -76.068
Base-Backbone interact. energy: 0.086
local terms energy: -107.406096
where:
bonds (distance) C4'-P energy: -30.382
bonds (distance) P-C4' energy: -29.147
flat angles C4'-P-C4' energy: -25.546
flat angles P-C4'-P energy: -17.592
tors. eta vs tors. theta energy: -4.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -609.201731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.201731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.201731 (E_RNA)
where:
Base-Base interactions energy: -423.514
where: short stacking energy: -173.836
Base-Backbone interact. energy: -0.560
local terms energy: -185.127914
where:
bonds (distance) C4'-P energy: -31.522
bonds (distance) P-C4' energy: -37.887
flat angles C4'-P-C4' energy: -40.252
flat angles P-C4'-P energy: -29.055
tors. eta vs tors. theta energy: -46.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -588.606699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.606699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.606699 (E_RNA)
where:
Base-Base interactions energy: -413.253
where: short stacking energy: -162.406
Base-Backbone interact. energy: -2.247
local terms energy: -173.106400
where:
bonds (distance) C4'-P energy: -27.441
bonds (distance) P-C4' energy: -35.300
flat angles C4'-P-C4' energy: -36.208
flat angles P-C4'-P energy: -24.260
tors. eta vs tors. theta energy: -49.898
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: 8
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -582.532578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.532578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.532578 (E_RNA)
where:
Base-Base interactions energy: -414.036
where: short stacking energy: -181.239
Base-Backbone interact. energy: -0.641
local terms energy: -167.856270
where:
bonds (distance) C4'-P energy: -27.314
bonds (distance) P-C4' energy: -39.001
flat angles C4'-P-C4' energy: -37.852
flat angles P-C4'-P energy: -18.095
tors. eta vs tors. theta energy: -45.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -503.380219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.380219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.380219 (E_RNA)
where:
Base-Base interactions energy: -341.384
where: short stacking energy: -150.464
Base-Backbone interact. energy: -0.464
local terms energy: -161.531865
where:
bonds (distance) C4'-P energy: -33.761
bonds (distance) P-C4' energy: -32.909
flat angles C4'-P-C4' energy: -41.660
flat angles P-C4'-P energy: -17.833
tors. eta vs tors. theta energy: -35.369
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: 6
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -517.120392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.120392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.120392 (E_RNA)
where:
Base-Base interactions energy: -370.063
where: short stacking energy: -142.904
Base-Backbone interact. energy: 0.351
local terms energy: -147.408493
where:
bonds (distance) C4'-P energy: -30.212
bonds (distance) P-C4' energy: -29.092
flat angles C4'-P-C4' energy: -29.945
flat angles P-C4'-P energy: -22.134
tors. eta vs tors. theta energy: -36.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -497.384648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.384648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.384648 (E_RNA)
where:
Base-Base interactions energy: -339.486
where: short stacking energy: -146.370
Base-Backbone interact. energy: -0.318
local terms energy: -157.580754
where:
bonds (distance) C4'-P energy: -29.492
bonds (distance) P-C4' energy: -30.266
flat angles C4'-P-C4' energy: -32.095
flat angles P-C4'-P energy: -29.139
tors. eta vs tors. theta energy: -36.588
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: 9
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -406.032326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.032326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.032326 (E_RNA)
where:
Base-Base interactions energy: -282.923
where: short stacking energy: -121.839
Base-Backbone interact. energy: -0.978
local terms energy: -122.131214
where:
bonds (distance) C4'-P energy: -24.238
bonds (distance) P-C4' energy: -32.739
flat angles C4'-P-C4' energy: -24.349
flat angles P-C4'-P energy: -17.492
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: 8, replica: 10
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -378.554296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.554296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.554296 (E_RNA)
where:
Base-Base interactions energy: -246.383
where: short stacking energy: -123.517
Base-Backbone interact. energy: -0.658
local terms energy: -131.512791
where:
bonds (distance) C4'-P energy: -25.142
bonds (distance) P-C4' energy: -31.476
flat angles C4'-P-C4' energy: -29.291
flat angles P-C4'-P energy: -21.555
tors. eta vs tors. theta energy: -24.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -238.691729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.691729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.691729 (E_RNA)
where:
Base-Base interactions energy: -128.790
where: short stacking energy: -78.830
Base-Backbone interact. energy: -0.587
local terms energy: -109.314030
where:
bonds (distance) C4'-P energy: -31.365
bonds (distance) P-C4' energy: -26.704
flat angles C4'-P-C4' energy: -30.305
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -10.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -221.944243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.944243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.944243 (E_RNA)
where:
Base-Base interactions energy: -124.506
where: short stacking energy: -64.408
Base-Backbone interact. energy: -1.148
local terms energy: -96.290639
where:
bonds (distance) C4'-P energy: -33.675
bonds (distance) P-C4' energy: -24.731
flat angles C4'-P-C4' energy: -20.205
flat angles P-C4'-P energy: -20.515
tors. eta vs tors. theta energy: 2.836
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: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -592.282911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.282911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.282911 (E_RNA)
where:
Base-Base interactions energy: -406.283
where: short stacking energy: -171.299
Base-Backbone interact. energy: -0.665
local terms energy: -185.335559
where:
bonds (distance) C4'-P energy: -38.641
bonds (distance) P-C4' energy: -35.324
flat angles C4'-P-C4' energy: -37.836
flat angles P-C4'-P energy: -27.605
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: 2, replica: 1
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -590.400655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.400655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.400655 (E_RNA)
where:
Base-Base interactions energy: -416.405
where: short stacking energy: -168.761
Base-Backbone interact. energy: -1.688
local terms energy: -172.307611
where:
bonds (distance) C4'-P energy: -29.210
bonds (distance) P-C4' energy: -34.453
flat angles C4'-P-C4' energy: -36.575
flat angles P-C4'-P energy: -28.462
tors. eta vs tors. theta energy: -43.608
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: 3, replica: 8
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -564.866484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.866484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.866484 (E_RNA)
where:
Base-Base interactions energy: -387.433
where: short stacking energy: -160.485
Base-Backbone interact. energy: -0.930
local terms energy: -176.503652
where:
bonds (distance) C4'-P energy: -36.015
bonds (distance) P-C4' energy: -37.308
flat angles C4'-P-C4' energy: -37.292
flat angles P-C4'-P energy: -23.371
tors. eta vs tors. theta energy: -42.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -489.374318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.374318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.374318 (E_RNA)
where:
Base-Base interactions energy: -334.627
where: short stacking energy: -160.705
Base-Backbone interact. energy: -0.790
local terms energy: -153.957625
where:
bonds (distance) C4'-P energy: -25.616
bonds (distance) P-C4' energy: -30.963
flat angles C4'-P-C4' energy: -32.418
flat angles P-C4'-P energy: -20.218
tors. eta vs tors. theta energy: -44.742
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: 6
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -528.252943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.252943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.252943 (E_RNA)
where:
Base-Base interactions energy: -371.448
where: short stacking energy: -160.893
Base-Backbone interact. energy: -0.159
local terms energy: -156.645553
where:
bonds (distance) C4'-P energy: -22.018
bonds (distance) P-C4' energy: -27.687
flat angles C4'-P-C4' energy: -37.757
flat angles P-C4'-P energy: -22.938
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: 6, replica: 7
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -474.307978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.307978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.307978 (E_RNA)
where:
Base-Base interactions energy: -327.635
where: short stacking energy: -140.577
Base-Backbone interact. energy: 0.534
local terms energy: -147.206868
where:
bonds (distance) C4'-P energy: -26.307
bonds (distance) P-C4' energy: -34.113
flat angles C4'-P-C4' energy: -35.781
flat angles P-C4'-P energy: -20.193
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: 7, replica: 9
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -429.017454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.017454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.017454 (E_RNA)
where:
Base-Base interactions energy: -290.295
where: short stacking energy: -133.895
Base-Backbone interact. energy: -0.956
local terms energy: -137.767191
where:
bonds (distance) C4'-P energy: -21.216
bonds (distance) P-C4' energy: -36.341
flat angles C4'-P-C4' energy: -33.249
flat angles P-C4'-P energy: -13.816
tors. eta vs tors. theta energy: -33.144
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: 10
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -340.452860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.452860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.452860 (E_RNA)
where:
Base-Base interactions energy: -211.047
where: short stacking energy: -98.103
Base-Backbone interact. energy: -1.210
local terms energy: -128.195410
where:
bonds (distance) C4'-P energy: -26.427
bonds (distance) P-C4' energy: -36.048
flat angles C4'-P-C4' energy: -28.769
flat angles P-C4'-P energy: -19.916
tors. eta vs tors. theta energy: -17.035
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: 380
Temperature: 1.300000
Total energy: -251.611850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.611850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.611850 (E_RNA)
where:
Base-Base interactions energy: -149.247
where: short stacking energy: -81.748
Base-Backbone interact. energy: -1.229
local terms energy: -101.135889
where:
bonds (distance) C4'-P energy: -22.533
bonds (distance) P-C4' energy: -33.060
flat angles C4'-P-C4' energy: -27.818
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -9.390
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: 10, replica: 3
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -225.518840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.518840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.518840 (E_RNA)
where:
Base-Base interactions energy: -117.086
where: short stacking energy: -74.397
Base-Backbone interact. energy: 2.416
local terms energy: -110.848273
where:
bonds (distance) C4'-P energy: -28.827
bonds (distance) P-C4' energy: -32.156
flat angles C4'-P-C4' energy: -23.505
flat angles P-C4'-P energy: -17.462
tors. eta vs tors. theta energy: -8.898
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: 1, replica: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -603.831854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.831854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.831854 (E_RNA)
where:
Base-Base interactions energy: -428.618
where: short stacking energy: -181.677
Base-Backbone interact. energy: -1.254
local terms energy: -173.959387
where:
bonds (distance) C4'-P energy: -30.745
bonds (distance) P-C4' energy: -37.825
flat angles C4'-P-C4' energy: -37.156
flat angles P-C4'-P energy: -22.094
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: 2, replica: 8
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -594.643069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.643069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.643069 (E_RNA)
where:
Base-Base interactions energy: -414.311
where: short stacking energy: -178.599
Base-Backbone interact. energy: -0.085
local terms energy: -180.246889
where:
bonds (distance) C4'-P energy: -36.994
bonds (distance) P-C4' energy: -35.973
flat angles C4'-P-C4' energy: -38.210
flat angles P-C4'-P energy: -27.013
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: 3, replica: 1
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -576.839779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.839779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.839779 (E_RNA)
where:
Base-Base interactions energy: -410.862
where: short stacking energy: -162.614
Base-Backbone interact. energy: 0.147
local terms energy: -166.124227
where:
bonds (distance) C4'-P energy: -34.577
bonds (distance) P-C4' energy: -29.672
flat angles C4'-P-C4' energy: -33.279
flat angles P-C4'-P energy: -25.153
tors. eta vs tors. theta energy: -43.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -483.088683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.088683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.088683 (E_RNA)
where:
Base-Base interactions energy: -325.629
where: short stacking energy: -135.445
Base-Backbone interact. energy: 0.275
local terms energy: -157.734920
where:
bonds (distance) C4'-P energy: -33.889
bonds (distance) P-C4' energy: -33.070
flat angles C4'-P-C4' energy: -30.425
flat angles P-C4'-P energy: -25.646
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: 5, replica: 6
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -542.754909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.754909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.754909 (E_RNA)
where:
Base-Base interactions energy: -363.735
where: short stacking energy: -163.447
Base-Backbone interact. energy: -1.022
local terms energy: -177.998465
where:
bonds (distance) C4'-P energy: -30.010
bonds (distance) P-C4' energy: -33.380
flat angles C4'-P-C4' energy: -37.706
flat angles P-C4'-P energy: -30.188
tors. eta vs tors. theta energy: -46.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -453.489625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.489625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.489625 (E_RNA)
where:
Base-Base interactions energy: -310.396
where: short stacking energy: -142.672
Base-Backbone interact. energy: -0.076
local terms energy: -143.016993
where:
bonds (distance) C4'-P energy: -25.529
bonds (distance) P-C4' energy: -26.065
flat angles C4'-P-C4' energy: -34.308
flat angles P-C4'-P energy: -25.723
tors. eta vs tors. theta energy: -31.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -423.994485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.994485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.994485 (E_RNA)
where:
Base-Base interactions energy: -286.299
where: short stacking energy: -132.816
Base-Backbone interact. energy: -0.026
local terms energy: -137.669536
where:
bonds (distance) C4'-P energy: -30.754
bonds (distance) P-C4' energy: -31.200
flat angles C4'-P-C4' energy: -30.373
flat angles P-C4'-P energy: -21.237
tors. eta vs tors. theta energy: -24.106
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: 10
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -336.903665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.903665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.903665 (E_RNA)
where:
Base-Base interactions energy: -201.642
where: short stacking energy: -92.889
Base-Backbone interact. energy: -0.702
local terms energy: -134.559336
where:
bonds (distance) C4'-P energy: -20.479
bonds (distance) P-C4' energy: -35.094
flat angles C4'-P-C4' energy: -38.207
flat angles P-C4'-P energy: -23.346
tors. eta vs tors. theta energy: -17.434
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: 4
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -266.780158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.780158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.780158 (E_RNA)
where:
Base-Base interactions energy: -140.193
where: short stacking energy: -75.949
Base-Backbone interact. energy: -0.952
local terms energy: -125.634951
where:
bonds (distance) C4'-P energy: -30.658
bonds (distance) P-C4' energy: -27.201
flat angles C4'-P-C4' energy: -22.041
flat angles P-C4'-P energy: -28.012
tors. eta vs tors. theta energy: -17.723
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: 381
Temperature: 1.350000
Total energy: -227.191856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.191856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.191856 (E_RNA)
where:
Base-Base interactions energy: -124.959
where: short stacking energy: -77.316
Base-Backbone interact. energy: 0.002
local terms energy: -102.234033
where:
bonds (distance) C4'-P energy: -30.801
bonds (distance) P-C4' energy: -35.571
flat angles C4'-P-C4' energy: -18.893
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -5.044
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: 382
Temperature: 0.900000
Total energy: -609.942901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.942901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.942901 (E_RNA)
where:
Base-Base interactions energy: -424.002
where: short stacking energy: -182.586
Base-Backbone interact. energy: -0.018
local terms energy: -185.922845
where:
bonds (distance) C4'-P energy: -36.861
bonds (distance) P-C4' energy: -40.379
flat angles C4'-P-C4' energy: -40.946
flat angles P-C4'-P energy: -22.779
tors. eta vs tors. theta energy: -44.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -581.842751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.842751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.842751 (E_RNA)
where:
Base-Base interactions energy: -413.483
where: short stacking energy: -161.412
Base-Backbone interact. energy: -0.841
local terms energy: -167.518927
where:
bonds (distance) C4'-P energy: -28.749
bonds (distance) P-C4' energy: -36.003
flat angles C4'-P-C4' energy: -41.277
flat angles P-C4'-P energy: -20.386
tors. eta vs tors. theta energy: -41.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -526.709194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.709194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.709194 (E_RNA)
where:
Base-Base interactions energy: -367.276
where: short stacking energy: -159.702
Base-Backbone interact. energy: -0.644
local terms energy: -158.789310
where:
bonds (distance) C4'-P energy: -28.665
bonds (distance) P-C4' energy: -36.004
flat angles C4'-P-C4' energy: -31.514
flat angles P-C4'-P energy: -20.737
tors. eta vs tors. theta energy: -41.869
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: 4, replica: 1
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -569.631407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.631407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.631407 (E_RNA)
where:
Base-Base interactions energy: -404.813
where: short stacking energy: -164.771
Base-Backbone interact. energy: -0.525
local terms energy: -164.293274
where:
bonds (distance) C4'-P energy: -32.933
bonds (distance) P-C4' energy: -33.228
flat angles C4'-P-C4' energy: -33.953
flat angles P-C4'-P energy: -23.010
tors. eta vs tors. theta energy: -41.169
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: 6
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -526.774784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.774784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.774784 (E_RNA)
where:
Base-Base interactions energy: -357.120
where: short stacking energy: -170.583
Base-Backbone interact. energy: -1.062
local terms energy: -168.592256
where:
bonds (distance) C4'-P energy: -34.774
bonds (distance) P-C4' energy: -35.467
flat angles C4'-P-C4' energy: -31.327
flat angles P-C4'-P energy: -21.514
tors. eta vs tors. theta energy: -45.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -464.046216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.046216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.046216 (E_RNA)
where:
Base-Base interactions energy: -311.553
where: short stacking energy: -121.368
Base-Backbone interact. energy: -0.032
local terms energy: -152.461250
where:
bonds (distance) C4'-P energy: -28.504
bonds (distance) P-C4' energy: -35.437
flat angles C4'-P-C4' energy: -31.954
flat angles P-C4'-P energy: -22.265
tors. eta vs tors. theta energy: -34.301
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: 7, replica: 9
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -421.293409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.293409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.293409 (E_RNA)
where:
Base-Base interactions energy: -295.912
where: short stacking energy: -126.701
Base-Backbone interact. energy: -0.329
local terms energy: -125.052393
where:
bonds (distance) C4'-P energy: -23.668
bonds (distance) P-C4' energy: -31.137
flat angles C4'-P-C4' energy: -25.843
flat angles P-C4'-P energy: -23.199
tors. eta vs tors. theta energy: -21.206
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: 8, replica: 10
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -342.463023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.463023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.463023 (E_RNA)
where:
Base-Base interactions energy: -213.058
where: short stacking energy: -103.075
Base-Backbone interact. energy: -0.503
local terms energy: -128.902078
where:
bonds (distance) C4'-P energy: -24.976
bonds (distance) P-C4' energy: -25.193
flat angles C4'-P-C4' energy: -31.418
flat angles P-C4'-P energy: -27.706
tors. eta vs tors. theta energy: -19.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -273.938905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.938905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.938905 (E_RNA)
where:
Base-Base interactions energy: -144.944
where: short stacking energy: -80.829
Base-Backbone interact. energy: -1.605
local terms energy: -127.389083
where:
bonds (distance) C4'-P energy: -31.576
bonds (distance) P-C4' energy: -25.872
flat angles C4'-P-C4' energy: -31.594
flat angles P-C4'-P energy: -25.175
tors. eta vs tors. theta energy: -13.172
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: 3
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -217.144738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.144738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.144738 (E_RNA)
where:
Base-Base interactions energy: -104.419
where: short stacking energy: -82.090
Base-Backbone interact. energy: -1.103
local terms energy: -111.622821
where:
bonds (distance) C4'-P energy: -31.917
bonds (distance) P-C4' energy: -26.245
flat angles C4'-P-C4' energy: -20.186
flat angles P-C4'-P energy: -17.206
tors. eta vs tors. theta energy: -16.070
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: 2
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -619.092665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.092665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.092665 (E_RNA)
where:
Base-Base interactions energy: -434.453
where: short stacking energy: -185.857
Base-Backbone interact. energy: 0.594
local terms energy: -185.234260
where:
bonds (distance) C4'-P energy: -38.385
bonds (distance) P-C4' energy: -33.812
flat angles C4'-P-C4' energy: -38.700
flat angles P-C4'-P energy: -26.453
tors. eta vs tors. theta energy: -47.885
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: 8
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -579.674882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.674882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.674882 (E_RNA)
where:
Base-Base interactions energy: -404.890
where: short stacking energy: -166.382
Base-Backbone interact. energy: 1.200
local terms energy: -175.985229
where:
bonds (distance) C4'-P energy: -36.585
bonds (distance) P-C4' energy: -32.516
flat angles C4'-P-C4' energy: -39.471
flat angles P-C4'-P energy: -23.507
tors. eta vs tors. theta energy: -43.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -543.832395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.832395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.832395 (E_RNA)
where:
Base-Base interactions energy: -384.002
where: short stacking energy: -157.517
Base-Backbone interact. energy: -0.583
local terms energy: -159.246821
where:
bonds (distance) C4'-P energy: -26.858
bonds (distance) P-C4' energy: -30.094
flat angles C4'-P-C4' energy: -34.129
flat angles P-C4'-P energy: -25.548
tors. eta vs tors. theta energy: -42.619
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: 1
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -577.946762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.946762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.946762 (E_RNA)
where:
Base-Base interactions energy: -410.287
where: short stacking energy: -163.144
Base-Backbone interact. energy: -0.459
local terms energy: -167.200936
where:
bonds (distance) C4'-P energy: -27.521
bonds (distance) P-C4' energy: -33.777
flat angles C4'-P-C4' energy: -35.678
flat angles P-C4'-P energy: -24.512
tors. eta vs tors. theta energy: -45.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -533.948067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.948067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.948067 (E_RNA)
where:
Base-Base interactions energy: -365.648
where: short stacking energy: -161.488
Base-Backbone interact. energy: -1.177
local terms energy: -167.123789
where:
bonds (distance) C4'-P energy: -28.860
bonds (distance) P-C4' energy: -35.124
flat angles C4'-P-C4' energy: -37.815
flat angles P-C4'-P energy: -21.335
tors. eta vs tors. theta energy: -43.989
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: 9
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -459.664611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.664611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.664611 (E_RNA)
where:
Base-Base interactions energy: -296.316
where: short stacking energy: -149.320
Base-Backbone interact. energy: 2.030
local terms energy: -165.378373
where:
bonds (distance) C4'-P energy: -39.486
bonds (distance) P-C4' energy: -31.533
flat angles C4'-P-C4' energy: -33.095
flat angles P-C4'-P energy: -23.515
tors. eta vs tors. theta energy: -37.749
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: 7
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -454.397899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.397899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.397899 (E_RNA)
where:
Base-Base interactions energy: -298.350
where: short stacking energy: -124.751
Base-Backbone interact. energy: -0.551
local terms energy: -155.496845
where:
bonds (distance) C4'-P energy: -26.304
bonds (distance) P-C4' energy: -29.832
flat angles C4'-P-C4' energy: -38.885
flat angles P-C4'-P energy: -27.037
tors. eta vs tors. theta energy: -33.439
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: 8, replica: 4
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -317.849538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.849538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.849538 (E_RNA)
where:
Base-Base interactions energy: -176.453
where: short stacking energy: -104.636
Base-Backbone interact. energy: -0.194
local terms energy: -141.203403
where:
bonds (distance) C4'-P energy: -35.849
bonds (distance) P-C4' energy: -33.018
flat angles C4'-P-C4' energy: -31.461
flat angles P-C4'-P energy: -16.212
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: 9, replica: 10
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -332.825678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.825678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.825678 (E_RNA)
where:
Base-Base interactions energy: -210.948
where: short stacking energy: -106.127
Base-Backbone interact. energy: 0.314
local terms energy: -122.191367
where:
bonds (distance) C4'-P energy: -30.205
bonds (distance) P-C4' energy: -29.123
flat angles C4'-P-C4' energy: -27.777
flat angles P-C4'-P energy: -20.194
tors. eta vs tors. theta energy: -14.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -207.447810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.447810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.447810 (E_RNA)
where:
Base-Base interactions energy: -114.243
where: short stacking energy: -65.207
Base-Backbone interact. energy: -0.748
local terms energy: -92.456623
where:
bonds (distance) C4'-P energy: -26.581
bonds (distance) P-C4' energy: -29.412
flat angles C4'-P-C4' energy: -30.630
flat angles P-C4'-P energy: -2.604
tors. eta vs tors. theta energy: -3.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -586.439181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.439181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.439181 (E_RNA)
where:
Base-Base interactions energy: -408.159
where: short stacking energy: -190.902
Base-Backbone interact. energy: -0.655
local terms energy: -177.625249
where:
bonds (distance) C4'-P energy: -36.666
bonds (distance) P-C4' energy: -30.699
flat angles C4'-P-C4' energy: -36.947
flat angles P-C4'-P energy: -30.386
tors. eta vs tors. theta energy: -42.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -594.523450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.523450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.523450 (E_RNA)
where:
Base-Base interactions energy: -423.815
where: short stacking energy: -179.842
Base-Backbone interact. energy: -1.872
local terms energy: -168.836970
where:
bonds (distance) C4'-P energy: -36.194
bonds (distance) P-C4' energy: -24.001
flat angles C4'-P-C4' energy: -35.016
flat angles P-C4'-P energy: -24.552
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: 3, replica: 1
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -579.320400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.320400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.320400 (E_RNA)
where:
Base-Base interactions energy: -403.767
where: short stacking energy: -173.767
Base-Backbone interact. energy: -1.080
local terms energy: -174.473569
where:
bonds (distance) C4'-P energy: -35.354
bonds (distance) P-C4' energy: -32.204
flat angles C4'-P-C4' energy: -36.294
flat angles P-C4'-P energy: -20.938
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: 4, replica: 5
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -537.933421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.933421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.933421 (E_RNA)
where:
Base-Base interactions energy: -370.686
where: short stacking energy: -166.115
Base-Backbone interact. energy: -1.658
local terms energy: -165.588861
where:
bonds (distance) C4'-P energy: -32.801
bonds (distance) P-C4' energy: -27.395
flat angles C4'-P-C4' energy: -36.928
flat angles P-C4'-P energy: -22.653
tors. eta vs tors. theta energy: -45.811
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: 5, replica: 6
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -512.396242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.396242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.396242 (E_RNA)
where:
Base-Base interactions energy: -361.537
where: short stacking energy: -144.174
Base-Backbone interact. energy: -0.460
local terms energy: -150.398626
where:
bonds (distance) C4'-P energy: -35.596
bonds (distance) P-C4' energy: -29.959
flat angles C4'-P-C4' energy: -36.775
flat angles P-C4'-P energy: -15.808
tors. eta vs tors. theta energy: -32.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -466.711170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.711170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.711170 (E_RNA)
where:
Base-Base interactions energy: -309.930
where: short stacking energy: -139.280
Base-Backbone interact. energy: -0.073
local terms energy: -156.707930
where:
bonds (distance) C4'-P energy: -33.777
bonds (distance) P-C4' energy: -30.949
flat angles C4'-P-C4' energy: -36.533
flat angles P-C4'-P energy: -20.427
tors. eta vs tors. theta energy: -35.021
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: 7
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -470.164919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.164919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.164919 (E_RNA)
where:
Base-Base interactions energy: -313.128
where: short stacking energy: -143.030
Base-Backbone interact. energy: 0.793
local terms energy: -157.829940
where:
bonds (distance) C4'-P energy: -30.909
bonds (distance) P-C4' energy: -34.391
flat angles C4'-P-C4' energy: -30.126
flat angles P-C4'-P energy: -24.500
tors. eta vs tors. theta energy: -37.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -271.194763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.194763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.194763 (E_RNA)
where:
Base-Base interactions energy: -156.155
where: short stacking energy: -88.509
Base-Backbone interact. energy: -0.512
local terms energy: -114.527354
where:
bonds (distance) C4'-P energy: -26.594
bonds (distance) P-C4' energy: -27.347
flat angles C4'-P-C4' energy: -26.657
flat angles P-C4'-P energy: -14.794
tors. eta vs tors. theta energy: -19.135
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: 10
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -331.885437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.885437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.885437 (E_RNA)
where:
Base-Base interactions energy: -196.269
where: short stacking energy: -93.251
Base-Backbone interact. energy: -0.051
local terms energy: -135.565137
where:
bonds (distance) C4'-P energy: -33.211
bonds (distance) P-C4' energy: -33.605
flat angles C4'-P-C4' energy: -31.562
flat angles P-C4'-P energy: -16.065
tors. eta vs tors. theta energy: -21.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -159.857465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.857465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.857465 (E_RNA)
where:
Base-Base interactions energy: -60.989
where: short stacking energy: -56.786
Base-Backbone interact. energy: -0.240
local terms energy: -98.628860
where:
bonds (distance) C4'-P energy: -30.234
bonds (distance) P-C4' energy: -31.475
flat angles C4'-P-C4' energy: -22.324
flat angles P-C4'-P energy: -17.872
tors. eta vs tors. theta energy: 3.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -589.615719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.615719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.615719 (E_RNA)
where:
Base-Base interactions energy: -407.365
where: short stacking energy: -176.062
Base-Backbone interact. energy: -0.600
local terms energy: -181.651154
where:
bonds (distance) C4'-P energy: -35.052
bonds (distance) P-C4' energy: -36.639
flat angles C4'-P-C4' energy: -36.460
flat angles P-C4'-P energy: -28.061
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: 2, replica: 2
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -596.264718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.264718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.264718 (E_RNA)
where:
Base-Base interactions energy: -417.774
where: short stacking energy: -175.899
Base-Backbone interact. energy: -1.164
local terms energy: -177.326649
where:
bonds (distance) C4'-P energy: -30.658
bonds (distance) P-C4' energy: -39.958
flat angles C4'-P-C4' energy: -37.861
flat angles P-C4'-P energy: -21.941
tors. eta vs tors. theta energy: -46.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -578.608731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.608731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.608731 (E_RNA)
where:
Base-Base interactions energy: -402.206
where: short stacking energy: -153.058
Base-Backbone interact. energy: -1.714
local terms energy: -174.688841
where:
bonds (distance) C4'-P energy: -35.661
bonds (distance) P-C4' energy: -36.883
flat angles C4'-P-C4' energy: -37.322
flat angles P-C4'-P energy: -23.557
tors. eta vs tors. theta energy: -41.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -551.596623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.596623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.596623 (E_RNA)
where:
Base-Base interactions energy: -379.219
where: short stacking energy: -175.748
Base-Backbone interact. energy: -0.019
local terms energy: -172.359270
where:
bonds (distance) C4'-P energy: -39.243
bonds (distance) P-C4' energy: -32.181
flat angles C4'-P-C4' energy: -29.734
flat angles P-C4'-P energy: -16.412
tors. eta vs tors. theta energy: -54.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -501.220439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.220439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.220439 (E_RNA)
where:
Base-Base interactions energy: -353.776
where: short stacking energy: -133.753
Base-Backbone interact. energy: 0.137
local terms energy: -147.581367
where:
bonds (distance) C4'-P energy: -34.565
bonds (distance) P-C4' energy: -28.037
flat angles C4'-P-C4' energy: -30.968
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -40.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -465.535530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.535530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.535530 (E_RNA)
where:
Base-Base interactions energy: -310.247
where: short stacking energy: -145.701
Base-Backbone interact. energy: -0.422
local terms energy: -154.865955
where:
bonds (distance) C4'-P energy: -34.907
bonds (distance) P-C4' energy: -32.600
flat angles C4'-P-C4' energy: -32.116
flat angles P-C4'-P energy: -21.152
tors. eta vs tors. theta energy: -34.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -473.628476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.628476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.628476 (E_RNA)
where:
Base-Base interactions energy: -329.378
where: short stacking energy: -134.059
Base-Backbone interact. energy: -0.785
local terms energy: -143.465571
where:
bonds (distance) C4'-P energy: -24.104
bonds (distance) P-C4' energy: -31.877
flat angles C4'-P-C4' energy: -36.720
flat angles P-C4'-P energy: -19.730
tors. eta vs tors. theta energy: -31.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -340.831139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.831139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.831139 (E_RNA)
where:
Base-Base interactions energy: -211.078
where: short stacking energy: -103.419
Base-Backbone interact. energy: -0.593
local terms energy: -129.160444
where:
bonds (distance) C4'-P energy: -25.830
bonds (distance) P-C4' energy: -28.679
flat angles C4'-P-C4' energy: -34.006
flat angles P-C4'-P energy: -17.776
tors. eta vs tors. theta energy: -22.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -262.335051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.335051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.335051 (E_RNA)
where:
Base-Base interactions energy: -139.462
where: short stacking energy: -82.152
Base-Backbone interact. energy: -0.537
local terms energy: -122.335732
where:
bonds (distance) C4'-P energy: -33.099
bonds (distance) P-C4' energy: -26.842
flat angles C4'-P-C4' energy: -29.635
flat angles P-C4'-P energy: -16.409
tors. eta vs tors. theta energy: -16.351
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: 3
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -222.896274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.896274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.896274 (E_RNA)
where:
Base-Base interactions energy: -111.270
where: short stacking energy: -64.620
Base-Backbone interact. energy: -0.119
local terms energy: -111.507053
where:
bonds (distance) C4'-P energy: -36.020
bonds (distance) P-C4' energy: -32.060
flat angles C4'-P-C4' energy: -24.026
flat angles P-C4'-P energy: -19.495
tors. eta vs tors. theta energy: 0.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -605.388117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.388117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.388117 (E_RNA)
where:
Base-Base interactions energy: -416.441
where: short stacking energy: -180.518
Base-Backbone interact. energy: 1.848
local terms energy: -190.795002
where:
bonds (distance) C4'-P energy: -37.338
bonds (distance) P-C4' energy: -35.419
flat angles C4'-P-C4' energy: -39.677
flat angles P-C4'-P energy: -28.431
tors. eta vs tors. theta energy: -49.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -594.484284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.484284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.484284 (E_RNA)
where:
Base-Base interactions energy: -418.778
where: short stacking energy: -187.331
Base-Backbone interact. energy: 1.303
local terms energy: -177.008442
where:
bonds (distance) C4'-P energy: -31.260
bonds (distance) P-C4' energy: -36.802
flat angles C4'-P-C4' energy: -39.037
flat angles P-C4'-P energy: -22.984
tors. eta vs tors. theta energy: -46.926
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: 3, replica: 6
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -557.965738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.965738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.965738 (E_RNA)
where:
Base-Base interactions energy: -385.541
where: short stacking energy: -174.710
Base-Backbone interact. energy: -0.346
local terms energy: -172.078378
where:
bonds (distance) C4'-P energy: -29.385
bonds (distance) P-C4' energy: -35.534
flat angles C4'-P-C4' energy: -35.246
flat angles P-C4'-P energy: -23.871
tors. eta vs tors. theta energy: -48.042
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: 1
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -563.326321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.326321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.326321 (E_RNA)
where:
Base-Base interactions energy: -388.160
where: short stacking energy: -169.319
Base-Backbone interact. energy: -1.136
local terms energy: -174.029805
where:
bonds (distance) C4'-P energy: -31.932
bonds (distance) P-C4' energy: -31.899
flat angles C4'-P-C4' energy: -38.183
flat angles P-C4'-P energy: -27.465
tors. eta vs tors. theta energy: -44.551
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: 5, replica: 5
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -505.855997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.855997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.855997 (E_RNA)
where:
Base-Base interactions energy: -350.214
where: short stacking energy: -130.624
Base-Backbone interact. energy: -0.080
local terms energy: -155.561755
where:
bonds (distance) C4'-P energy: -33.396
bonds (distance) P-C4' energy: -28.504
flat angles C4'-P-C4' energy: -39.076
flat angles P-C4'-P energy: -21.172
tors. eta vs tors. theta energy: -33.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -466.719424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.719424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.719424 (E_RNA)
where:
Base-Base interactions energy: -313.783
where: short stacking energy: -136.145
Base-Backbone interact. energy: -0.259
local terms energy: -152.677719
where:
bonds (distance) C4'-P energy: -26.689
bonds (distance) P-C4' energy: -29.947
flat angles C4'-P-C4' energy: -35.131
flat angles P-C4'-P energy: -27.812
tors. eta vs tors. theta energy: -33.099
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: 7
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -443.734862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.734862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.734862 (E_RNA)
where:
Base-Base interactions energy: -310.420
where: short stacking energy: -129.589
Base-Backbone interact. energy: 0.093
local terms energy: -133.408175
where:
bonds (distance) C4'-P energy: -21.391
bonds (distance) P-C4' energy: -30.394
flat angles C4'-P-C4' energy: -33.543
flat angles P-C4'-P energy: -23.061
tors. eta vs tors. theta energy: -25.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -335.295691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.295691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.295691 (E_RNA)
where:
Base-Base interactions energy: -222.600
where: short stacking energy: -94.595
Base-Backbone interact. energy: -1.538
local terms energy: -111.156905
where:
bonds (distance) C4'-P energy: -19.929
bonds (distance) P-C4' energy: -29.185
flat angles C4'-P-C4' energy: -22.518
flat angles P-C4'-P energy: -26.442
tors. eta vs tors. theta energy: -13.083
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: 4
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -323.060187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.060187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.060187 (E_RNA)
where:
Base-Base interactions energy: -221.117
where: short stacking energy: -84.798
Base-Backbone interact. energy: 6.520
local terms energy: -108.463436
where:
bonds (distance) C4'-P energy: -26.370
bonds (distance) P-C4' energy: -31.081
flat angles C4'-P-C4' energy: -21.978
flat angles P-C4'-P energy: -14.411
tors. eta vs tors. theta energy: -14.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -218.430976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.430976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.430976 (E_RNA)
where:
Base-Base interactions energy: -112.662
where: short stacking energy: -68.721
Base-Backbone interact. energy: 0.632
local terms energy: -106.401292
where:
bonds (distance) C4'-P energy: -26.817
bonds (distance) P-C4' energy: -28.361
flat angles C4'-P-C4' energy: -33.404
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -5.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -606.775037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.775037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.775037 (E_RNA)
where:
Base-Base interactions energy: -425.801
where: short stacking energy: -188.577
Base-Backbone interact. energy: -0.656
local terms energy: -180.318443
where:
bonds (distance) C4'-P energy: -31.791
bonds (distance) P-C4' energy: -39.624
flat angles C4'-P-C4' energy: -38.296
flat angles P-C4'-P energy: -23.615
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: 2, replica: 8
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -595.211364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.211364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.211364 (E_RNA)
where:
Base-Base interactions energy: -420.170
where: short stacking energy: -169.349
Base-Backbone interact. energy: -0.195
local terms energy: -174.845975
where:
bonds (distance) C4'-P energy: -29.987
bonds (distance) P-C4' energy: -31.697
flat angles C4'-P-C4' energy: -40.040
flat angles P-C4'-P energy: -27.422
tors. eta vs tors. theta energy: -45.701
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: 6
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -550.246263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.246263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.246263 (E_RNA)
where:
Base-Base interactions energy: -389.904
where: short stacking energy: -183.153
Base-Backbone interact. energy: -0.075
local terms energy: -160.267230
where:
bonds (distance) C4'-P energy: -27.579
bonds (distance) P-C4' energy: -29.074
flat angles C4'-P-C4' energy: -35.398
flat angles P-C4'-P energy: -22.499
tors. eta vs tors. theta energy: -45.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -565.919982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.919982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.919982 (E_RNA)
where:
Base-Base interactions energy: -394.473
where: short stacking energy: -166.606
Base-Backbone interact. energy: -1.001
local terms energy: -170.445635
where:
bonds (distance) C4'-P energy: -34.614
bonds (distance) P-C4' energy: -35.566
flat angles C4'-P-C4' energy: -30.109
flat angles P-C4'-P energy: -26.058
tors. eta vs tors. theta energy: -44.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -513.523243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.523243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.523243 (E_RNA)
where:
Base-Base interactions energy: -354.553
where: short stacking energy: -153.470
Base-Backbone interact. energy: -0.571
local terms energy: -158.399183
where:
bonds (distance) C4'-P energy: -34.044
bonds (distance) P-C4' energy: -31.162
flat angles C4'-P-C4' energy: -33.394
flat angles P-C4'-P energy: -20.436
tors. eta vs tors. theta energy: -39.362
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: 7
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -436.430649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.430649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.430649 (E_RNA)
where:
Base-Base interactions energy: -291.529
where: short stacking energy: -126.292
Base-Backbone interact. energy: 0.604
local terms energy: -145.505309
where:
bonds (distance) C4'-P energy: -38.464
bonds (distance) P-C4' energy: -27.960
flat angles C4'-P-C4' energy: -32.426
flat angles P-C4'-P energy: -24.906
tors. eta vs tors. theta energy: -21.750
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: 9
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -425.080602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.080602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.080602 (E_RNA)
where:
Base-Base interactions energy: -294.212
where: short stacking energy: -129.417
Base-Backbone interact. energy: 1.157
local terms energy: -132.025539
where:
bonds (distance) C4'-P energy: -24.910
bonds (distance) P-C4' energy: -28.740
flat angles C4'-P-C4' energy: -35.993
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -30.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -346.873744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.873744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.873744 (E_RNA)
where:
Base-Base interactions energy: -228.447
where: short stacking energy: -99.574
Base-Backbone interact. energy: 0.026
local terms energy: -118.452219
where:
bonds (distance) C4'-P energy: -30.241
bonds (distance) P-C4' energy: -30.962
flat angles C4'-P-C4' energy: -30.862
flat angles P-C4'-P energy: -13.453
tors. eta vs tors. theta energy: -12.933
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: 10
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -329.240533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.240533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.240533 (E_RNA)
where:
Base-Base interactions energy: -219.506
where: short stacking energy: -96.933
Base-Backbone interact. energy: -0.112
local terms energy: -109.622077
where:
bonds (distance) C4'-P energy: -22.374
bonds (distance) P-C4' energy: -23.519
flat angles C4'-P-C4' energy: -34.073
flat angles P-C4'-P energy: -5.080
tors. eta vs tors. theta energy: -24.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -206.511225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.511225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.511225 (E_RNA)
where:
Base-Base interactions energy: -111.941
where: short stacking energy: -50.174
Base-Backbone interact. energy: 1.435
local terms energy: -96.005438
where:
bonds (distance) C4'-P energy: -27.634
bonds (distance) P-C4' energy: -25.694
flat angles C4'-P-C4' energy: -32.261
flat angles P-C4'-P energy: -16.311
tors. eta vs tors. theta energy: 5.894
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: 1, replica: 2
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -602.783101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.783101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.783101 (E_RNA)
where:
Base-Base interactions energy: -424.265
where: short stacking energy: -173.500
Base-Backbone interact. energy: -0.495
local terms energy: -178.022820
where:
bonds (distance) C4'-P energy: -34.323
bonds (distance) P-C4' energy: -35.623
flat angles C4'-P-C4' energy: -38.955
flat angles P-C4'-P energy: -20.816
tors. eta vs tors. theta energy: -48.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -592.033191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.033191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.033191 (E_RNA)
where:
Base-Base interactions energy: -421.962
where: short stacking energy: -174.024
Base-Backbone interact. energy: -0.449
local terms energy: -169.622994
where:
bonds (distance) C4'-P energy: -28.465
bonds (distance) P-C4' energy: -36.877
flat angles C4'-P-C4' energy: -34.933
flat angles P-C4'-P energy: -22.658
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: 3, replica: 1
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -559.805674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.805674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.805674 (E_RNA)
where:
Base-Base interactions energy: -394.356
where: short stacking energy: -178.401
Base-Backbone interact. energy: -0.562
local terms energy: -164.887443
where:
bonds (distance) C4'-P energy: -30.179
bonds (distance) P-C4' energy: -29.132
flat angles C4'-P-C4' energy: -36.966
flat angles P-C4'-P energy: -21.946
tors. eta vs tors. theta energy: -46.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -547.413744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.413744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.413744 (E_RNA)
where:
Base-Base interactions energy: -371.232
where: short stacking energy: -176.916
Base-Backbone interact. energy: -0.679
local terms energy: -175.502910
where:
bonds (distance) C4'-P energy: -35.469
bonds (distance) P-C4' energy: -33.359
flat angles C4'-P-C4' energy: -36.076
flat angles P-C4'-P energy: -21.052
tors. eta vs tors. theta energy: -49.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -509.534378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.534378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.534378 (E_RNA)
where:
Base-Base interactions energy: -335.296
where: short stacking energy: -150.850
Base-Backbone interact. energy: -1.327
local terms energy: -172.911014
where:
bonds (distance) C4'-P energy: -35.092
bonds (distance) P-C4' energy: -32.744
flat angles C4'-P-C4' energy: -36.672
flat angles P-C4'-P energy: -27.435
tors. eta vs tors. theta energy: -40.967
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: 7
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -453.552108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.552108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.552108 (E_RNA)
where:
Base-Base interactions energy: -300.835
where: short stacking energy: -123.906
Base-Backbone interact. energy: -0.627
local terms energy: -152.089927
where:
bonds (distance) C4'-P energy: -30.259
bonds (distance) P-C4' energy: -32.304
flat angles C4'-P-C4' energy: -31.966
flat angles P-C4'-P energy: -29.298
tors. eta vs tors. theta energy: -28.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -459.502873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.502873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.502873 (E_RNA)
where:
Base-Base interactions energy: -311.209
where: short stacking energy: -136.890
Base-Backbone interact. energy: -0.396
local terms energy: -147.897137
where:
bonds (distance) C4'-P energy: -34.270
bonds (distance) P-C4' energy: -32.326
flat angles C4'-P-C4' energy: -26.527
flat angles P-C4'-P energy: -22.898
tors. eta vs tors. theta energy: -31.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -369.582249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.582249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.582249 (E_RNA)
where:
Base-Base interactions energy: -235.997
where: short stacking energy: -104.795
Base-Backbone interact. energy: -0.439
local terms energy: -133.145838
where:
bonds (distance) C4'-P energy: -19.783
bonds (distance) P-C4' energy: -32.447
flat angles C4'-P-C4' energy: -33.361
flat angles P-C4'-P energy: -27.416
tors. eta vs tors. theta energy: -20.139
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: 10
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -318.744563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.744563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.744563 (E_RNA)
where:
Base-Base interactions energy: -192.927
where: short stacking energy: -92.375
Base-Backbone interact. energy: -1.524
local terms energy: -124.292864
where:
bonds (distance) C4'-P energy: -26.822
bonds (distance) P-C4' energy: -35.207
flat angles C4'-P-C4' energy: -23.479
flat angles P-C4'-P energy: -22.568
tors. eta vs tors. theta energy: -16.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -227.940334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.940334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.940334 (E_RNA)
where:
Base-Base interactions energy: -118.175
where: short stacking energy: -60.943
Base-Backbone interact. energy: -3.088
local terms energy: -106.677456
where:
bonds (distance) C4'-P energy: -26.346
bonds (distance) P-C4' energy: -31.001
flat angles C4'-P-C4' energy: -31.012
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -6.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -620.230860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.230860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.230860 (E_RNA)
where:
Base-Base interactions energy: -441.376
where: short stacking energy: -180.305
Base-Backbone interact. energy: -1.009
local terms energy: -177.845888
where:
bonds (distance) C4'-P energy: -27.907
bonds (distance) P-C4' energy: -34.556
flat angles C4'-P-C4' energy: -39.325
flat angles P-C4'-P energy: -29.545
tors. eta vs tors. theta energy: -46.512
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: 1
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -572.112568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.112568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.112568 (E_RNA)
where:
Base-Base interactions energy: -404.631
where: short stacking energy: -174.151
Base-Backbone interact. energy: -0.541
local terms energy: -166.940611
where:
bonds (distance) C4'-P energy: -26.912
bonds (distance) P-C4' energy: -34.098
flat angles C4'-P-C4' energy: -39.473
flat angles P-C4'-P energy: -23.320
tors. eta vs tors. theta energy: -43.138
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: 8
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -588.334653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.334653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.334653 (E_RNA)
where:
Base-Base interactions energy: -407.963
where: short stacking energy: -164.309
Base-Backbone interact. energy: -1.766
local terms energy: -178.605187
where:
bonds (distance) C4'-P energy: -37.043
bonds (distance) P-C4' energy: -30.780
flat angles C4'-P-C4' energy: -36.648
flat angles P-C4'-P energy: -24.733
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: 5
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -535.958464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.958464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.958464 (E_RNA)
where:
Base-Base interactions energy: -375.898
where: short stacking energy: -159.071
Base-Backbone interact. energy: -0.784
local terms energy: -159.276375
where:
bonds (distance) C4'-P energy: -33.159
bonds (distance) P-C4' energy: -23.372
flat angles C4'-P-C4' energy: -39.833
flat angles P-C4'-P energy: -23.018
tors. eta vs tors. theta energy: -39.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -521.503850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.503850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.503850 (E_RNA)
where:
Base-Base interactions energy: -371.220
where: short stacking energy: -159.764
Base-Backbone interact. energy: 2.697
local terms energy: -152.981344
where:
bonds (distance) C4'-P energy: -33.064
bonds (distance) P-C4' energy: -30.178
flat angles C4'-P-C4' energy: -31.176
flat angles P-C4'-P energy: -20.671
tors. eta vs tors. theta energy: -37.893
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: 6, replica: 9
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -452.440255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.440255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.440255 (E_RNA)
where:
Base-Base interactions energy: -302.502
where: short stacking energy: -129.906
Base-Backbone interact. energy: -2.142
local terms energy: -147.795731
where:
bonds (distance) C4'-P energy: -35.016
bonds (distance) P-C4' energy: -24.583
flat angles C4'-P-C4' energy: -32.341
flat angles P-C4'-P energy: -23.992
tors. eta vs tors. theta energy: -31.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -455.495168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.495168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.495168 (E_RNA)
where:
Base-Base interactions energy: -309.709
where: short stacking energy: -131.442
Base-Backbone interact. energy: -1.232
local terms energy: -144.554197
where:
bonds (distance) C4'-P energy: -29.345
bonds (distance) P-C4' energy: -31.409
flat angles C4'-P-C4' energy: -31.806
flat angles P-C4'-P energy: -21.558
tors. eta vs tors. theta energy: -30.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -340.545227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.545227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.545227 (E_RNA)
where:
Base-Base interactions energy: -218.168
where: short stacking energy: -88.879
Base-Backbone interact. energy: -0.930
local terms energy: -121.447421
where:
bonds (distance) C4'-P energy: -29.765
bonds (distance) P-C4' energy: -29.767
flat angles C4'-P-C4' energy: -24.249
flat angles P-C4'-P energy: -18.962
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: 4
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -355.056590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.056590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.056590 (E_RNA)
where:
Base-Base interactions energy: -221.733
where: short stacking energy: -91.756
Base-Backbone interact. energy: 1.690
local terms energy: -135.013085
where:
bonds (distance) C4'-P energy: -31.376
bonds (distance) P-C4' energy: -35.478
flat angles C4'-P-C4' energy: -27.457
flat angles P-C4'-P energy: -21.649
tors. eta vs tors. theta energy: -19.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -213.468524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.468524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.468524 (E_RNA)
where:
Base-Base interactions energy: -109.841
where: short stacking energy: -63.742
Base-Backbone interact. energy: 3.636
local terms energy: -107.263544
where:
bonds (distance) C4'-P energy: -26.849
bonds (distance) P-C4' energy: -29.498
flat angles C4'-P-C4' energy: -25.602
flat angles P-C4'-P energy: -19.466
tors. eta vs tors. theta energy: -5.849
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: 1
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -601.875344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.875344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.875344 (E_RNA)
where:
Base-Base interactions energy: -413.441
where: short stacking energy: -169.584
Base-Backbone interact. energy: -2.904
local terms energy: -185.530416
where:
bonds (distance) C4'-P energy: -32.998
bonds (distance) P-C4' energy: -33.425
flat angles C4'-P-C4' energy: -38.810
flat angles P-C4'-P energy: -27.655
tors. eta vs tors. theta energy: -52.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -600.753020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.753020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.753020 (E_RNA)
where:
Base-Base interactions energy: -424.625
where: short stacking energy: -176.880
Base-Backbone interact. energy: -1.723
local terms energy: -174.404521
where:
bonds (distance) C4'-P energy: -30.898
bonds (distance) P-C4' energy: -33.429
flat angles C4'-P-C4' energy: -37.846
flat angles P-C4'-P energy: -21.956
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: 3, replica: 5
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -558.013719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.013719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.013719 (E_RNA)
where:
Base-Base interactions energy: -385.587
where: short stacking energy: -156.779
Base-Backbone interact. energy: -0.290
local terms energy: -172.136789
where:
bonds (distance) C4'-P energy: -36.136
bonds (distance) P-C4' energy: -33.929
flat angles C4'-P-C4' energy: -33.919
flat angles P-C4'-P energy: -26.623
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: 4, replica: 8
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -573.120974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.120974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.120974 (E_RNA)
where:
Base-Base interactions energy: -414.074
where: short stacking energy: -163.786
Base-Backbone interact. energy: -0.619
local terms energy: -158.428223
where:
bonds (distance) C4'-P energy: -28.976
bonds (distance) P-C4' energy: -20.997
flat angles C4'-P-C4' energy: -35.065
flat angles P-C4'-P energy: -28.307
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: 5, replica: 6
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -531.677289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.677289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.677289 (E_RNA)
where:
Base-Base interactions energy: -372.833
where: short stacking energy: -156.491
Base-Backbone interact. energy: -0.365
local terms energy: -158.478979
where:
bonds (distance) C4'-P energy: -28.318
bonds (distance) P-C4' energy: -32.483
flat angles C4'-P-C4' energy: -30.285
flat angles P-C4'-P energy: -26.555
tors. eta vs tors. theta energy: -40.839
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: 6, replica: 9
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -480.216145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.216145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.216145 (E_RNA)
where:
Base-Base interactions energy: -324.171
where: short stacking energy: -146.966
Base-Backbone interact. energy: -0.892
local terms energy: -155.153081
where:
bonds (distance) C4'-P energy: -25.034
bonds (distance) P-C4' energy: -28.757
flat angles C4'-P-C4' energy: -38.176
flat angles P-C4'-P energy: -23.484
tors. eta vs tors. theta energy: -39.702
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: 7
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -468.264154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.264154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.264154 (E_RNA)
where:
Base-Base interactions energy: -321.511
where: short stacking energy: -140.642
Base-Backbone interact. energy: -0.415
local terms energy: -146.338149
where:
bonds (distance) C4'-P energy: -18.593
bonds (distance) P-C4' energy: -25.118
flat angles C4'-P-C4' energy: -37.378
flat angles P-C4'-P energy: -27.640
tors. eta vs tors. theta energy: -37.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -359.321484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.321484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.321484 (E_RNA)
where:
Base-Base interactions energy: -228.559
where: short stacking energy: -105.745
Base-Backbone interact. energy: -0.547
local terms energy: -130.214934
where:
bonds (distance) C4'-P energy: -36.401
bonds (distance) P-C4' energy: -21.797
flat angles C4'-P-C4' energy: -32.557
flat angles P-C4'-P energy: -17.557
tors. eta vs tors. theta energy: -21.904
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: 4
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -333.216941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.216941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.216941 (E_RNA)
where:
Base-Base interactions energy: -223.519
where: short stacking energy: -105.396
Base-Backbone interact. energy: 3.156
local terms energy: -112.853968
where:
bonds (distance) C4'-P energy: -25.804
bonds (distance) P-C4' energy: -27.918
flat angles C4'-P-C4' energy: -29.290
flat angles P-C4'-P energy: -12.285
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: 10, replica: 3
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -244.773606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.773606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.773606 (E_RNA)
where:
Base-Base interactions energy: -140.391
where: short stacking energy: -82.678
Base-Backbone interact. energy: -2.792
local terms energy: -101.590436
where:
bonds (distance) C4'-P energy: -21.625
bonds (distance) P-C4' energy: -24.830
flat angles C4'-P-C4' energy: -31.849
flat angles P-C4'-P energy: -15.676
tors. eta vs tors. theta energy: -7.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -597.101249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.101249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.101249 (E_RNA)
where:
Base-Base interactions energy: -422.241
where: short stacking energy: -173.843
Base-Backbone interact. energy: -1.187
local terms energy: -173.673991
where:
bonds (distance) C4'-P energy: -32.189
bonds (distance) P-C4' energy: -36.369
flat angles C4'-P-C4' energy: -35.502
flat angles P-C4'-P energy: -22.590
tors. eta vs tors. theta energy: -47.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -603.231392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.231392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.231392 (E_RNA)
where:
Base-Base interactions energy: -418.541
where: short stacking energy: -170.560
Base-Backbone interact. energy: -0.815
local terms energy: -183.875407
where:
bonds (distance) C4'-P energy: -35.580
bonds (distance) P-C4' energy: -39.246
flat angles C4'-P-C4' energy: -35.186
flat angles P-C4'-P energy: -28.162
tors. eta vs tors. theta energy: -45.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -553.525145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.525145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.525145 (E_RNA)
where:
Base-Base interactions energy: -390.438
where: short stacking energy: -181.713
Base-Backbone interact. energy: 0.171
local terms energy: -163.258406
where:
bonds (distance) C4'-P energy: -30.318
bonds (distance) P-C4' energy: -34.600
flat angles C4'-P-C4' energy: -35.559
flat angles P-C4'-P energy: -18.055
tors. eta vs tors. theta energy: -44.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -565.628700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.628700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.628700 (E_RNA)
where:
Base-Base interactions energy: -403.632
where: short stacking energy: -172.755
Base-Backbone interact. energy: -0.420
local terms energy: -161.576376
where:
bonds (distance) C4'-P energy: -27.518
bonds (distance) P-C4' energy: -31.908
flat angles C4'-P-C4' energy: -37.075
flat angles P-C4'-P energy: -19.678
tors. eta vs tors. theta energy: -45.397
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: 391
Temperature: 1.100000
Total energy: -536.525832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.525832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.525832 (E_RNA)
where:
Base-Base interactions energy: -361.740
where: short stacking energy: -165.826
Base-Backbone interact. energy: -0.501
local terms energy: -174.285038
where:
bonds (distance) C4'-P energy: -28.922
bonds (distance) P-C4' energy: -30.085
flat angles C4'-P-C4' energy: -38.628
flat angles P-C4'-P energy: -29.397
tors. eta vs tors. theta energy: -47.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -487.595243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.595243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.595243 (E_RNA)
where:
Base-Base interactions energy: -341.816
where: short stacking energy: -140.366
Base-Backbone interact. energy: 2.034
local terms energy: -147.813171
where:
bonds (distance) C4'-P energy: -31.579
bonds (distance) P-C4' energy: -32.741
flat angles C4'-P-C4' energy: -35.752
flat angles P-C4'-P energy: -15.307
tors. eta vs tors. theta energy: -32.435
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: 9
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -450.550989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.550989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.550989 (E_RNA)
where:
Base-Base interactions energy: -294.513
where: short stacking energy: -132.593
Base-Backbone interact. energy: 0.506
local terms energy: -156.543775
where:
bonds (distance) C4'-P energy: -27.148
bonds (distance) P-C4' energy: -35.112
flat angles C4'-P-C4' energy: -37.617
flat angles P-C4'-P energy: -20.289
tors. eta vs tors. theta energy: -36.378
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: 4
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -345.017877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.017877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.017877 (E_RNA)
where:
Base-Base interactions energy: -207.311
where: short stacking energy: -91.511
Base-Backbone interact. energy: -1.014
local terms energy: -136.693011
where:
bonds (distance) C4'-P energy: -35.247
bonds (distance) P-C4' energy: -33.444
flat angles C4'-P-C4' energy: -29.475
flat angles P-C4'-P energy: -20.968
tors. eta vs tors. theta energy: -17.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -340.804756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.804756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.804756 (E_RNA)
where:
Base-Base interactions energy: -201.833
where: short stacking energy: -96.839
Base-Backbone interact. energy: -0.726
local terms energy: -138.245842
where:
bonds (distance) C4'-P energy: -35.563
bonds (distance) P-C4' energy: -38.310
flat angles C4'-P-C4' energy: -35.883
flat angles P-C4'-P energy: -15.815
tors. eta vs tors. theta energy: -12.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -222.072219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.072219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.072219 (E_RNA)
where:
Base-Base interactions energy: -118.421
where: short stacking energy: -71.396
Base-Backbone interact. energy: 0.090
local terms energy: -103.741596
where:
bonds (distance) C4'-P energy: -20.372
bonds (distance) P-C4' energy: -31.820
flat angles C4'-P-C4' energy: -24.218
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: -12.129
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: 1
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -601.437268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.437268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.437268 (E_RNA)
where:
Base-Base interactions energy: -416.847
where: short stacking energy: -180.264
Base-Backbone interact. energy: -0.313
local terms energy: -184.276676
where:
bonds (distance) C4'-P energy: -36.986
bonds (distance) P-C4' energy: -37.690
flat angles C4'-P-C4' energy: -41.798
flat angles P-C4'-P energy: -21.014
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: 2
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -583.724399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.724399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.724399 (E_RNA)
where:
Base-Base interactions energy: -405.473
where: short stacking energy: -157.955
Base-Backbone interact. energy: -3.006
local terms energy: -175.245103
where:
bonds (distance) C4'-P energy: -31.597
bonds (distance) P-C4' energy: -37.255
flat angles C4'-P-C4' energy: -39.907
flat angles P-C4'-P energy: -21.659
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: 3, replica: 8
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -574.417740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.417740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.417740 (E_RNA)
where:
Base-Base interactions energy: -398.366
where: short stacking energy: -167.978
Base-Backbone interact. energy: 1.823
local terms energy: -177.875233
where:
bonds (distance) C4'-P energy: -38.122
bonds (distance) P-C4' energy: -35.896
flat angles C4'-P-C4' energy: -36.969
flat angles P-C4'-P energy: -24.666
tors. eta vs tors. theta energy: -42.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -538.215848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.215848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.215848 (E_RNA)
where:
Base-Base interactions energy: -375.865
where: short stacking energy: -159.599
Base-Backbone interact. energy: -0.916
local terms energy: -161.434926
where:
bonds (distance) C4'-P energy: -25.552
bonds (distance) P-C4' energy: -30.726
flat angles C4'-P-C4' energy: -36.142
flat angles P-C4'-P energy: -22.634
tors. eta vs tors. theta energy: -46.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -526.050078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.050078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.050078 (E_RNA)
where:
Base-Base interactions energy: -370.584
where: short stacking energy: -164.378
Base-Backbone interact. energy: -0.958
local terms energy: -154.508527
where:
bonds (distance) C4'-P energy: -25.050
bonds (distance) P-C4' energy: -30.784
flat angles C4'-P-C4' energy: -35.952
flat angles P-C4'-P energy: -21.513
tors. eta vs tors. theta energy: -41.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -513.909795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.909795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.909795 (E_RNA)
where:
Base-Base interactions energy: -348.363
where: short stacking energy: -143.668
Base-Backbone interact. energy: -0.871
local terms energy: -164.675041
where:
bonds (distance) C4'-P energy: -30.077
bonds (distance) P-C4' energy: -33.260
flat angles C4'-P-C4' energy: -34.537
flat angles P-C4'-P energy: -24.331
tors. eta vs tors. theta energy: -42.469
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: 9
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -467.654781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.654781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.654781 (E_RNA)
where:
Base-Base interactions energy: -319.538
where: short stacking energy: -148.425
Base-Backbone interact. energy: -1.170
local terms energy: -146.946194
where:
bonds (distance) C4'-P energy: -31.284
bonds (distance) P-C4' energy: -31.563
flat angles C4'-P-C4' energy: -29.996
flat angles P-C4'-P energy: -14.274
tors. eta vs tors. theta energy: -39.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -356.333526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.333526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.333526 (E_RNA)
where:
Base-Base interactions energy: -223.157
where: short stacking energy: -98.312
Base-Backbone interact. energy: 0.850
local terms energy: -134.025933
where:
bonds (distance) C4'-P energy: -24.378
bonds (distance) P-C4' energy: -36.968
flat angles C4'-P-C4' energy: -36.465
flat angles P-C4'-P energy: -20.481
tors. eta vs tors. theta energy: -15.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -341.397661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.397661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.397661 (E_RNA)
where:
Base-Base interactions energy: -214.755
where: short stacking energy: -98.060
Base-Backbone interact. energy: -0.497
local terms energy: -126.145510
where:
bonds (distance) C4'-P energy: -35.360
bonds (distance) P-C4' energy: -19.864
flat angles C4'-P-C4' energy: -28.174
flat angles P-C4'-P energy: -23.726
tors. eta vs tors. theta energy: -19.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -261.113513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.113513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.113513 (E_RNA)
where:
Base-Base interactions energy: -144.958
where: short stacking energy: -69.513
Base-Backbone interact. energy: -1.074
local terms energy: -115.081062
where:
bonds (distance) C4'-P energy: -26.291
bonds (distance) P-C4' energy: -38.998
flat angles C4'-P-C4' energy: -22.392
flat angles P-C4'-P energy: -17.740
tors. eta vs tors. theta energy: -9.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -595.606246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.606246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.606246 (E_RNA)
where:
Base-Base interactions energy: -407.316
where: short stacking energy: -180.741
Base-Backbone interact. energy: -2.559
local terms energy: -185.730583
where:
bonds (distance) C4'-P energy: -30.765
bonds (distance) P-C4' energy: -35.994
flat angles C4'-P-C4' energy: -36.784
flat angles P-C4'-P energy: -31.951
tors. eta vs tors. theta energy: -50.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -593.277713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.277713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.277713 (E_RNA)
where:
Base-Base interactions energy: -418.209
where: short stacking energy: -180.875
Base-Backbone interact. energy: 0.334
local terms energy: -175.403415
where:
bonds (distance) C4'-P energy: -32.736
bonds (distance) P-C4' energy: -35.515
flat angles C4'-P-C4' energy: -39.951
flat angles P-C4'-P energy: -23.297
tors. eta vs tors. theta energy: -43.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -564.378009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.378009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.378009 (E_RNA)
where:
Base-Base interactions energy: -389.172
where: short stacking energy: -144.088
Base-Backbone interact. energy: -1.968
local terms energy: -173.238078
where:
bonds (distance) C4'-P energy: -31.730
bonds (distance) P-C4' energy: -35.587
flat angles C4'-P-C4' energy: -38.081
flat angles P-C4'-P energy: -27.460
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: 6
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -545.282481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.282481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.282481 (E_RNA)
where:
Base-Base interactions energy: -376.961
where: short stacking energy: -166.881
Base-Backbone interact. energy: 0.583
local terms energy: -168.903863
where:
bonds (distance) C4'-P energy: -37.251
bonds (distance) P-C4' energy: -27.814
flat angles C4'-P-C4' energy: -35.353
flat angles P-C4'-P energy: -20.561
tors. eta vs tors. theta energy: -47.925
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: 5
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -486.857167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.857167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.857167 (E_RNA)
where:
Base-Base interactions energy: -331.952
where: short stacking energy: -140.345
Base-Backbone interact. energy: -0.116
local terms energy: -154.789845
where:
bonds (distance) C4'-P energy: -31.400
bonds (distance) P-C4' energy: -28.330
flat angles C4'-P-C4' energy: -33.393
flat angles P-C4'-P energy: -25.920
tors. eta vs tors. theta energy: -35.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -523.252888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.252888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.252888 (E_RNA)
where:
Base-Base interactions energy: -362.633
where: short stacking energy: -164.176
Base-Backbone interact. energy: -0.031
local terms energy: -160.588931
where:
bonds (distance) C4'-P energy: -24.994
bonds (distance) P-C4' energy: -29.462
flat angles C4'-P-C4' energy: -32.691
flat angles P-C4'-P energy: -28.737
tors. eta vs tors. theta energy: -44.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -488.057854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.057854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.057854 (E_RNA)
where:
Base-Base interactions energy: -330.595
where: short stacking energy: -146.356
Base-Backbone interact. energy: 0.712
local terms energy: -158.175461
where:
bonds (distance) C4'-P energy: -30.755
bonds (distance) P-C4' energy: -32.833
flat angles C4'-P-C4' energy: -34.822
flat angles P-C4'-P energy: -23.465
tors. eta vs tors. theta energy: -36.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -366.534773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.534773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.534773 (E_RNA)
where:
Base-Base interactions energy: -245.177
where: short stacking energy: -108.831
Base-Backbone interact. energy: 0.378
local terms energy: -121.735863
where:
bonds (distance) C4'-P energy: -18.529
bonds (distance) P-C4' energy: -36.937
flat angles C4'-P-C4' energy: -28.192
flat angles P-C4'-P energy: -16.548
tors. eta vs tors. theta energy: -21.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -336.566752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.566752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.566752 (E_RNA)
where:
Base-Base interactions energy: -202.015
where: short stacking energy: -87.215
Base-Backbone interact. energy: 1.701
local terms energy: -136.253110
where:
bonds (distance) C4'-P energy: -34.914
bonds (distance) P-C4' energy: -30.072
flat angles C4'-P-C4' energy: -30.134
flat angles P-C4'-P energy: -21.354
tors. eta vs tors. theta energy: -19.779
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: 3
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -249.886581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.886581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.886581 (E_RNA)
where:
Base-Base interactions energy: -156.055
where: short stacking energy: -72.331
Base-Backbone interact. energy: -0.904
local terms energy: -92.927071
where:
bonds (distance) C4'-P energy: -26.196
bonds (distance) P-C4' energy: -28.486
flat angles C4'-P-C4' energy: -27.800
flat angles P-C4'-P energy: -8.078
tors. eta vs tors. theta energy: -2.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -611.943900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.943900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.943900 (E_RNA)
where:
Base-Base interactions energy: -429.125
where: short stacking energy: -180.045
Base-Backbone interact. energy: -1.931
local terms energy: -180.887994
where:
bonds (distance) C4'-P energy: -32.743
bonds (distance) P-C4' energy: -36.817
flat angles C4'-P-C4' energy: -35.557
flat angles P-C4'-P energy: -24.673
tors. eta vs tors. theta energy: -51.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -581.061585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.061585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.061585 (E_RNA)
where:
Base-Base interactions energy: -405.618
where: short stacking energy: -177.685
Base-Backbone interact. energy: -0.983
local terms energy: -174.460724
where:
bonds (distance) C4'-P energy: -29.541
bonds (distance) P-C4' energy: -35.439
flat angles C4'-P-C4' energy: -36.367
flat angles P-C4'-P energy: -25.093
tors. eta vs tors. theta energy: -48.021
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: 6
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -550.826948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.826948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.826948 (E_RNA)
where:
Base-Base interactions energy: -382.652
where: short stacking energy: -159.032
Base-Backbone interact. energy: -0.107
local terms energy: -168.067883
where:
bonds (distance) C4'-P energy: -27.150
bonds (distance) P-C4' energy: -32.363
flat angles C4'-P-C4' energy: -40.191
flat angles P-C4'-P energy: -19.877
tors. eta vs tors. theta energy: -48.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -532.779630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.779630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.779630 (E_RNA)
where:
Base-Base interactions energy: -367.668
where: short stacking energy: -150.328
Base-Backbone interact. energy: -1.378
local terms energy: -163.733447
where:
bonds (distance) C4'-P energy: -29.768
bonds (distance) P-C4' energy: -28.572
flat angles C4'-P-C4' energy: -39.996
flat angles P-C4'-P energy: -30.716
tors. eta vs tors. theta energy: -34.681
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: 9
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -507.522732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.522732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.522732 (E_RNA)
where:
Base-Base interactions energy: -342.574
where: short stacking energy: -152.595
Base-Backbone interact. energy: -2.093
local terms energy: -162.855928
where:
bonds (distance) C4'-P energy: -29.114
bonds (distance) P-C4' energy: -35.163
flat angles C4'-P-C4' energy: -38.747
flat angles P-C4'-P energy: -22.209
tors. eta vs tors. theta energy: -37.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -469.728789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.728789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.728789 (E_RNA)
where:
Base-Base interactions energy: -321.406
where: short stacking energy: -135.098
Base-Backbone interact. energy: -0.736
local terms energy: -147.587040
where:
bonds (distance) C4'-P energy: -28.115
bonds (distance) P-C4' energy: -31.144
flat angles C4'-P-C4' energy: -32.574
flat angles P-C4'-P energy: -24.549
tors. eta vs tors. theta energy: -31.205
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: 7
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -470.094208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.094208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.094208 (E_RNA)
where:
Base-Base interactions energy: -321.279
where: short stacking energy: -137.119
Base-Backbone interact. energy: -0.294
local terms energy: -148.520938
where:
bonds (distance) C4'-P energy: -34.232
bonds (distance) P-C4' energy: -29.801
flat angles C4'-P-C4' energy: -33.097
flat angles P-C4'-P energy: -16.741
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: 8, replica: 4
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -370.761776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.761776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.761776 (E_RNA)
where:
Base-Base interactions energy: -238.044
where: short stacking energy: -99.030
Base-Backbone interact. energy: -0.323
local terms energy: -132.394624
where:
bonds (distance) C4'-P energy: -31.380
bonds (distance) P-C4' energy: -35.828
flat angles C4'-P-C4' energy: -30.677
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: -21.148
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: 10
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -341.056007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.056007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.056007 (E_RNA)
where:
Base-Base interactions energy: -211.731
where: short stacking energy: -101.127
Base-Backbone interact. energy: 0.716
local terms energy: -130.041410
where:
bonds (distance) C4'-P energy: -22.964
bonds (distance) P-C4' energy: -36.208
flat angles C4'-P-C4' energy: -25.728
flat angles P-C4'-P energy: -22.048
tors. eta vs tors. theta energy: -23.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -233.776206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.776206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.776206 (E_RNA)
where:
Base-Base interactions energy: -117.056
where: short stacking energy: -69.525
Base-Backbone interact. energy: 1.219
local terms energy: -117.938310
where:
bonds (distance) C4'-P energy: -27.603
bonds (distance) P-C4' energy: -34.572
flat angles C4'-P-C4' energy: -25.865
flat angles P-C4'-P energy: -17.958
tors. eta vs tors. theta energy: -11.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -599.237844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.237844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.237844 (E_RNA)
where:
Base-Base interactions energy: -409.701
where: short stacking energy: -173.189
Base-Backbone interact. energy: -1.643
local terms energy: -187.893044
where:
bonds (distance) C4'-P energy: -38.331
bonds (distance) P-C4' energy: -43.493
flat angles C4'-P-C4' energy: -40.489
flat angles P-C4'-P energy: -23.655
tors. eta vs tors. theta energy: -41.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -568.333397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.333397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.333397 (E_RNA)
where:
Base-Base interactions energy: -382.378
where: short stacking energy: -166.066
Base-Backbone interact. energy: -0.995
local terms energy: -184.960544
where:
bonds (distance) C4'-P energy: -41.594
bonds (distance) P-C4' energy: -35.137
flat angles C4'-P-C4' energy: -38.547
flat angles P-C4'-P energy: -20.496
tors. eta vs tors. theta energy: -49.187
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: 8
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -578.567598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.567598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.567598 (E_RNA)
where:
Base-Base interactions energy: -412.990
where: short stacking energy: -174.045
Base-Backbone interact. energy: -1.516
local terms energy: -164.061227
where:
bonds (distance) C4'-P energy: -27.688
bonds (distance) P-C4' energy: -33.312
flat angles C4'-P-C4' energy: -34.005
flat angles P-C4'-P energy: -18.586
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: 4, replica: 9
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -541.968473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.968473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.968473 (E_RNA)
where:
Base-Base interactions energy: -372.283
where: short stacking energy: -167.331
Base-Backbone interact. energy: -2.363
local terms energy: -167.322296
where:
bonds (distance) C4'-P energy: -33.116
bonds (distance) P-C4' energy: -28.559
flat angles C4'-P-C4' energy: -37.587
flat angles P-C4'-P energy: -23.905
tors. eta vs tors. theta energy: -44.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -539.020267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.020267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.020267 (E_RNA)
where:
Base-Base interactions energy: -377.589
where: short stacking energy: -145.977
Base-Backbone interact. energy: -1.214
local terms energy: -160.217075
where:
bonds (distance) C4'-P energy: -27.707
bonds (distance) P-C4' energy: -35.620
flat angles C4'-P-C4' energy: -34.747
flat angles P-C4'-P energy: -20.304
tors. eta vs tors. theta energy: -41.839
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: 6, replica: 7
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -503.120572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.120572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.120572 (E_RNA)
where:
Base-Base interactions energy: -356.222
where: short stacking energy: -143.769
Base-Backbone interact. energy: -0.603
local terms energy: -146.295383
where:
bonds (distance) C4'-P energy: -28.881
bonds (distance) P-C4' energy: -27.923
flat angles C4'-P-C4' energy: -28.974
flat angles P-C4'-P energy: -26.998
tors. eta vs tors. theta energy: -33.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -473.951661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.951661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.951661 (E_RNA)
where:
Base-Base interactions energy: -320.923
where: short stacking energy: -149.766
Base-Backbone interact. energy: 0.646
local terms energy: -153.674382
where:
bonds (distance) C4'-P energy: -21.841
bonds (distance) P-C4' energy: -29.311
flat angles C4'-P-C4' energy: -37.524
flat angles P-C4'-P energy: -25.717
tors. eta vs tors. theta energy: -39.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -381.121163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.121163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.121163 (E_RNA)
where:
Base-Base interactions energy: -243.539
where: short stacking energy: -105.318
Base-Backbone interact. energy: -0.598
local terms energy: -136.984655
where:
bonds (distance) C4'-P energy: -26.998
bonds (distance) P-C4' energy: -31.450
flat angles C4'-P-C4' energy: -27.168
flat angles P-C4'-P energy: -19.835
tors. eta vs tors. theta energy: -31.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -345.394029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.394029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.394029 (E_RNA)
where:
Base-Base interactions energy: -230.413
where: short stacking energy: -100.064
Base-Backbone interact. energy: 0.596
local terms energy: -115.577193
where:
bonds (distance) C4'-P energy: -26.963
bonds (distance) P-C4' energy: -30.075
flat angles C4'-P-C4' energy: -33.585
flat angles P-C4'-P energy: -13.446
tors. eta vs tors. theta energy: -11.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -226.550273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.550273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.550273 (E_RNA)
where:
Base-Base interactions energy: -129.494
where: short stacking energy: -82.937
Base-Backbone interact. energy: 0.954
local terms energy: -98.010638
where:
bonds (distance) C4'-P energy: -18.862
bonds (distance) P-C4' energy: -34.708
flat angles C4'-P-C4' energy: -21.372
flat angles P-C4'-P energy: -14.854
tors. eta vs tors. theta energy: -8.215
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: 1, replica: 1
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -598.679959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.679959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.679959 (E_RNA)
where:
Base-Base interactions energy: -419.253
where: short stacking energy: -186.461
Base-Backbone interact. energy: -2.115
local terms energy: -177.311962
where:
bonds (distance) C4'-P energy: -29.251
bonds (distance) P-C4' energy: -35.798
flat angles C4'-P-C4' energy: -40.074
flat angles P-C4'-P energy: -23.985
tors. eta vs tors. theta energy: -48.204
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: 6
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -578.220007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.220007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.220007 (E_RNA)
where:
Base-Base interactions energy: -402.880
where: short stacking energy: -177.154
Base-Backbone interact. energy: -1.117
local terms energy: -174.223140
where:
bonds (distance) C4'-P energy: -34.619
bonds (distance) P-C4' energy: -27.897
flat angles C4'-P-C4' energy: -34.007
flat angles P-C4'-P energy: -28.076
tors. eta vs tors. theta energy: -49.624
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: 8
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -577.993237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.993237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.993237 (E_RNA)
where:
Base-Base interactions energy: -406.797
where: short stacking energy: -177.869
Base-Backbone interact. energy: -0.186
local terms energy: -171.009758
where:
bonds (distance) C4'-P energy: -28.597
bonds (distance) P-C4' energy: -36.265
flat angles C4'-P-C4' energy: -35.495
flat angles P-C4'-P energy: -22.753
tors. eta vs tors. theta energy: -47.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -540.036755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.036755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.036755 (E_RNA)
where:
Base-Base interactions energy: -374.213
where: short stacking energy: -164.485
Base-Backbone interact. energy: -0.124
local terms energy: -165.699824
where:
bonds (distance) C4'-P energy: -28.972
bonds (distance) P-C4' energy: -33.832
flat angles C4'-P-C4' energy: -32.357
flat angles P-C4'-P energy: -27.527
tors. eta vs tors. theta energy: -43.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -541.459640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.459640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.459640 (E_RNA)
where:
Base-Base interactions energy: -378.794
where: short stacking energy: -156.460
Base-Backbone interact. energy: -1.003
local terms energy: -161.662122
where:
bonds (distance) C4'-P energy: -29.407
bonds (distance) P-C4' energy: -34.594
flat angles C4'-P-C4' energy: -35.512
flat angles P-C4'-P energy: -26.401
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: 6, replica: 7
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -503.223656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.223656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.223656 (E_RNA)
where:
Base-Base interactions energy: -347.786
where: short stacking energy: -139.081
Base-Backbone interact. energy: 0.754
local terms energy: -156.192175
where:
bonds (distance) C4'-P energy: -31.004
bonds (distance) P-C4' energy: -34.629
flat angles C4'-P-C4' energy: -31.696
flat angles P-C4'-P energy: -19.507
tors. eta vs tors. theta energy: -39.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -471.550228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.550228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.550228 (E_RNA)
where:
Base-Base interactions energy: -328.605
where: short stacking energy: -133.988
Base-Backbone interact. energy: -0.723
local terms energy: -142.222907
where:
bonds (distance) C4'-P energy: -25.696
bonds (distance) P-C4' energy: -29.339
flat angles C4'-P-C4' energy: -27.180
flat angles P-C4'-P energy: -23.709
tors. eta vs tors. theta energy: -36.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -388.627980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.627980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.627980 (E_RNA)
where:
Base-Base interactions energy: -265.396
where: short stacking energy: -118.105
Base-Backbone interact. energy: -0.204
local terms energy: -123.028455
where:
bonds (distance) C4'-P energy: -26.805
bonds (distance) P-C4' energy: -20.752
flat angles C4'-P-C4' energy: -29.117
flat angles P-C4'-P energy: -24.141
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: 396
Temperature: 1.300000
Total energy: -334.702650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.702650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.702650 (E_RNA)
where:
Base-Base interactions energy: -206.163
where: short stacking energy: -96.365
Base-Backbone interact. energy: -0.279
local terms energy: -128.260625
where:
bonds (distance) C4'-P energy: -29.068
bonds (distance) P-C4' energy: -31.188
flat angles C4'-P-C4' energy: -30.396
flat angles P-C4'-P energy: -16.921
tors. eta vs tors. theta energy: -20.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -231.041133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.041133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.041133 (E_RNA)
where:
Base-Base interactions energy: -118.621
where: short stacking energy: -66.903
Base-Backbone interact. energy: -0.866
local terms energy: -111.553433
where:
bonds (distance) C4'-P energy: -29.132
bonds (distance) P-C4' energy: -36.913
flat angles C4'-P-C4' energy: -30.760
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -4.664
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: 1
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -605.803411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.803411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.803411 (E_RNA)
where:
Base-Base interactions energy: -413.474
where: short stacking energy: -179.560
Base-Backbone interact. energy: -1.936
local terms energy: -190.392685
where:
bonds (distance) C4'-P energy: -36.544
bonds (distance) P-C4' energy: -38.954
flat angles C4'-P-C4' energy: -39.213
flat angles P-C4'-P energy: -28.802
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: 2, replica: 8
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -562.806245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.806245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.806245 (E_RNA)
where:
Base-Base interactions energy: -394.268
where: short stacking energy: -177.739
Base-Backbone interact. energy: 0.177
local terms energy: -168.714816
where:
bonds (distance) C4'-P energy: -31.279
bonds (distance) P-C4' energy: -31.636
flat angles C4'-P-C4' energy: -35.201
flat angles P-C4'-P energy: -27.878
tors. eta vs tors. theta energy: -42.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -561.969124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.969124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.969124 (E_RNA)
where:
Base-Base interactions energy: -387.251
where: short stacking energy: -163.505
Base-Backbone interact. energy: -0.116
local terms energy: -174.602385
where:
bonds (distance) C4'-P energy: -29.864
bonds (distance) P-C4' energy: -34.313
flat angles C4'-P-C4' energy: -37.516
flat angles P-C4'-P energy: -26.942
tors. eta vs tors. theta energy: -45.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -554.095155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.095155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.095155 (E_RNA)
where:
Base-Base interactions energy: -406.512
where: short stacking energy: -161.530
Base-Backbone interact. energy: -0.635
local terms energy: -146.948811
where:
bonds (distance) C4'-P energy: -35.437
bonds (distance) P-C4' energy: -26.541
flat angles C4'-P-C4' energy: -27.643
flat angles P-C4'-P energy: -19.428
tors. eta vs tors. theta energy: -37.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -544.696066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.696066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.696066 (E_RNA)
where:
Base-Base interactions energy: -382.004
where: short stacking energy: -179.451
Base-Backbone interact. energy: -0.093
local terms energy: -162.599259
where:
bonds (distance) C4'-P energy: -30.689
bonds (distance) P-C4' energy: -27.728
flat angles C4'-P-C4' energy: -31.725
flat angles P-C4'-P energy: -22.172
tors. eta vs tors. theta energy: -50.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -526.702362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.702362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.702362 (E_RNA)
where:
Base-Base interactions energy: -344.647
where: short stacking energy: -147.722
Base-Backbone interact. energy: -0.044
local terms energy: -182.011536
where:
bonds (distance) C4'-P energy: -30.722
bonds (distance) P-C4' energy: -38.448
flat angles C4'-P-C4' energy: -37.131
flat angles P-C4'-P energy: -28.820
tors. eta vs tors. theta energy: -46.890
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: 5
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -437.183441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.183441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.183441 (E_RNA)
where:
Base-Base interactions energy: -300.350
where: short stacking energy: -110.263
Base-Backbone interact. energy: 1.881
local terms energy: -138.714973
where:
bonds (distance) C4'-P energy: -36.379
bonds (distance) P-C4' energy: -24.745
flat angles C4'-P-C4' energy: -27.951
flat angles P-C4'-P energy: -21.486
tors. eta vs tors. theta energy: -28.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -374.691416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.691416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.691416 (E_RNA)
where:
Base-Base interactions energy: -238.494
where: short stacking energy: -100.664
Base-Backbone interact. energy: -0.222
local terms energy: -135.974817
where:
bonds (distance) C4'-P energy: -27.508
bonds (distance) P-C4' energy: -36.950
flat angles C4'-P-C4' energy: -29.613
flat angles P-C4'-P energy: -25.271
tors. eta vs tors. theta energy: -16.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -355.635376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.635376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.635376 (E_RNA)
where:
Base-Base interactions energy: -225.208
where: short stacking energy: -117.450
Base-Backbone interact. energy: -0.285
local terms energy: -130.142595
where:
bonds (distance) C4'-P energy: -32.446
bonds (distance) P-C4' energy: -30.097
flat angles C4'-P-C4' energy: -22.993
flat angles P-C4'-P energy: -15.531
tors. eta vs tors. theta energy: -29.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -222.392954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.392954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.392954 (E_RNA)
where:
Base-Base interactions energy: -121.831
where: short stacking energy: -68.389
Base-Backbone interact. energy: -0.651
local terms energy: -99.911088
where:
bonds (distance) C4'-P energy: -28.797
bonds (distance) P-C4' energy: -26.868
flat angles C4'-P-C4' energy: -23.369
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -10.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -610.736975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.736975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.736975 (E_RNA)
where:
Base-Base interactions energy: -432.077
where: short stacking energy: -182.761
Base-Backbone interact. energy: 0.289
local terms energy: -178.948817
where:
bonds (distance) C4'-P energy: -28.847
bonds (distance) P-C4' energy: -35.550
flat angles C4'-P-C4' energy: -39.965
flat angles P-C4'-P energy: -24.732
tors. eta vs tors. theta energy: -49.855
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: 8
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -570.373116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.373116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.373116 (E_RNA)
where:
Base-Base interactions energy: -393.209
where: short stacking energy: -166.659
Base-Backbone interact. energy: -1.389
local terms energy: -175.775504
where:
bonds (distance) C4'-P energy: -32.352
bonds (distance) P-C4' energy: -31.028
flat angles C4'-P-C4' energy: -38.697
flat angles P-C4'-P energy: -27.454
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: 3, replica: 2
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -585.437334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.437334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.437334 (E_RNA)
where:
Base-Base interactions energy: -422.795
where: short stacking energy: -162.291
Base-Backbone interact. energy: -1.288
local terms energy: -161.354132
where:
bonds (distance) C4'-P energy: -30.393
bonds (distance) P-C4' energy: -35.288
flat angles C4'-P-C4' energy: -35.379
flat angles P-C4'-P energy: -20.668
tors. eta vs tors. theta energy: -39.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -562.148522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.148522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.148522 (E_RNA)
where:
Base-Base interactions energy: -383.778
where: short stacking energy: -172.798
Base-Backbone interact. energy: 0.158
local terms energy: -178.528787
where:
bonds (distance) C4'-P energy: -29.603
bonds (distance) P-C4' energy: -37.165
flat angles C4'-P-C4' energy: -39.951
flat angles P-C4'-P energy: -21.222
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: 5, replica: 9
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -542.999067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.999067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.999067 (E_RNA)
where:
Base-Base interactions energy: -369.623
where: short stacking energy: -163.768
Base-Backbone interact. energy: -0.226
local terms energy: -173.149808
where:
bonds (distance) C4'-P energy: -26.475
bonds (distance) P-C4' energy: -33.190
flat angles C4'-P-C4' energy: -37.444
flat angles P-C4'-P energy: -24.451
tors. eta vs tors. theta energy: -51.588
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: 398
Temperature: 1.150000
Total energy: -496.808317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.808317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.808317 (E_RNA)
where:
Base-Base interactions energy: -339.160
where: short stacking energy: -144.649
Base-Backbone interact. energy: -0.322
local terms energy: -157.325757
where:
bonds (distance) C4'-P energy: -30.235
bonds (distance) P-C4' energy: -32.112
flat angles C4'-P-C4' energy: -32.777
flat angles P-C4'-P energy: -23.620
tors. eta vs tors. theta energy: -38.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -442.803676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.803676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.803676 (E_RNA)
where:
Base-Base interactions energy: -317.849
where: short stacking energy: -127.453
Base-Backbone interact. energy: -0.352
local terms energy: -124.602827
where:
bonds (distance) C4'-P energy: -25.597
bonds (distance) P-C4' energy: -26.344
flat angles C4'-P-C4' energy: -29.848
flat angles P-C4'-P energy: -19.117
tors. eta vs tors. theta energy: -23.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -385.813012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.813012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.813012 (E_RNA)
where:
Base-Base interactions energy: -246.644
where: short stacking energy: -114.959
Base-Backbone interact. energy: 0.070
local terms energy: -139.239055
where:
bonds (distance) C4'-P energy: -38.331
bonds (distance) P-C4' energy: -21.917
flat angles C4'-P-C4' energy: -34.412
flat angles P-C4'-P energy: -17.209
tors. eta vs tors. theta energy: -27.370
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: 398
Temperature: 1.300000
Total energy: -350.187469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.187469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.187469 (E_RNA)
where:
Base-Base interactions energy: -216.637
where: short stacking energy: -96.014
Base-Backbone interact. energy: 5.527
local terms energy: -139.077463
where:
bonds (distance) C4'-P energy: -31.405
bonds (distance) P-C4' energy: -29.312
flat angles C4'-P-C4' energy: -38.002
flat angles P-C4'-P energy: -25.991
tors. eta vs tors. theta energy: -14.368
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: 10, replica: 3
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -218.364543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.364543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.364543 (E_RNA)
where:
Base-Base interactions energy: -110.362
where: short stacking energy: -65.891
Base-Backbone interact. energy: 0.671
local terms energy: -108.672607
where:
bonds (distance) C4'-P energy: -20.692
bonds (distance) P-C4' energy: -35.616
flat angles C4'-P-C4' energy: -28.619
flat angles P-C4'-P energy: -13.672
tors. eta vs tors. theta energy: -10.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -601.969401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.969401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.969401 (E_RNA)
where:
Base-Base interactions energy: -420.542
where: short stacking energy: -185.206
Base-Backbone interact. energy: 0.252
local terms energy: -181.679524
where:
bonds (distance) C4'-P energy: -32.023
bonds (distance) P-C4' energy: -29.222
flat angles C4'-P-C4' energy: -40.781
flat angles P-C4'-P energy: -26.915
tors. eta vs tors. theta energy: -52.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -610.863679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.863679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.863679 (E_RNA)
where:
Base-Base interactions energy: -436.066
where: short stacking energy: -177.799
Base-Backbone interact. energy: -1.503
local terms energy: -173.295029
where:
bonds (distance) C4'-P energy: -30.328
bonds (distance) P-C4' energy: -31.615
flat angles C4'-P-C4' energy: -35.586
flat angles P-C4'-P energy: -28.069
tors. eta vs tors. theta energy: -47.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -556.215863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.215863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.215863 (E_RNA)
where:
Base-Base interactions energy: -390.943
where: short stacking energy: -170.647
Base-Backbone interact. energy: -1.379
local terms energy: -163.893410
where:
bonds (distance) C4'-P energy: -33.414
bonds (distance) P-C4' energy: -33.174
flat angles C4'-P-C4' energy: -32.991
flat angles P-C4'-P energy: -21.445
tors. eta vs tors. theta energy: -42.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -563.627986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.627986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.627986 (E_RNA)
where:
Base-Base interactions energy: -384.833
where: short stacking energy: -168.894
Base-Backbone interact. energy: -0.004
local terms energy: -178.790741
where:
bonds (distance) C4'-P energy: -30.945
bonds (distance) P-C4' energy: -32.568
flat angles C4'-P-C4' energy: -40.936
flat angles P-C4'-P energy: -25.159
tors. eta vs tors. theta energy: -49.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -547.725780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.725780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.725780 (E_RNA)
where:
Base-Base interactions energy: -385.229
where: short stacking energy: -177.816
Base-Backbone interact. energy: -0.499
local terms energy: -161.998086
where:
bonds (distance) C4'-P energy: -31.421
bonds (distance) P-C4' energy: -26.913
flat angles C4'-P-C4' energy: -37.119
flat angles P-C4'-P energy: -20.139
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: 6, replica: 7
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -509.497390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.497390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.497390 (E_RNA)
where:
Base-Base interactions energy: -355.101
where: short stacking energy: -150.291
Base-Backbone interact. energy: -0.316
local terms energy: -154.080531
where:
bonds (distance) C4'-P energy: -21.422
bonds (distance) P-C4' energy: -35.642
flat angles C4'-P-C4' energy: -37.645
flat angles P-C4'-P energy: -20.390
tors. eta vs tors. theta energy: -38.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -417.159202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.159202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.159202 (E_RNA)
where:
Base-Base interactions energy: -300.748
where: short stacking energy: -124.866
Base-Backbone interact. energy: 0.333
local terms energy: -116.743344
where:
bonds (distance) C4'-P energy: -25.404
bonds (distance) P-C4' energy: -27.312
flat angles C4'-P-C4' energy: -30.829
flat angles P-C4'-P energy: -4.318
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: 8, replica: 4
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -369.329713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.329713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.329713 (E_RNA)
where:
Base-Base interactions energy: -245.633
where: short stacking energy: -111.624
Base-Backbone interact. energy: -0.267
local terms energy: -123.429202
where:
bonds (distance) C4'-P energy: -31.866
bonds (distance) P-C4' energy: -22.540
flat angles C4'-P-C4' energy: -26.752
flat angles P-C4'-P energy: -19.205
tors. eta vs tors. theta energy: -23.065
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: 10
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -363.808954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.808954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.808954 (E_RNA)
where:
Base-Base interactions energy: -232.168
where: short stacking energy: -105.148
Base-Backbone interact. energy: -0.084
local terms energy: -131.556200
where:
bonds (distance) C4'-P energy: -27.817
bonds (distance) P-C4' energy: -36.168
flat angles C4'-P-C4' energy: -30.314
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: -24.992
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: 3
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -226.006307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.006307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.006307 (E_RNA)
where:
Base-Base interactions energy: -124.747
where: short stacking energy: -69.315
Base-Backbone interact. energy: 7.537
local terms energy: -108.796102
where:
bonds (distance) C4'-P energy: -23.579
bonds (distance) P-C4' energy: -26.647
flat angles C4'-P-C4' energy: -27.573
flat angles P-C4'-P energy: -17.596
tors. eta vs tors. theta energy: -13.401
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: 2
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -612.320153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.320153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.320153 (E_RNA)
where:
Base-Base interactions energy: -434.239
where: short stacking energy: -168.028
Base-Backbone interact. energy: 0.052
local terms energy: -178.132870
where:
bonds (distance) C4'-P energy: -26.830
bonds (distance) P-C4' energy: -37.589
flat angles C4'-P-C4' energy: -40.507
flat angles P-C4'-P energy: -27.561
tors. eta vs tors. theta energy: -45.646
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: 1
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -591.073752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.073752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.073752 (E_RNA)
where:
Base-Base interactions energy: -412.386
where: short stacking energy: -171.417
Base-Backbone interact. energy: -0.487
local terms energy: -178.201370
where:
bonds (distance) C4'-P energy: -31.805
bonds (distance) P-C4' energy: -30.408
flat angles C4'-P-C4' energy: -39.721
flat angles P-C4'-P energy: -28.276
tors. eta vs tors. theta energy: -47.992
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: 9
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -581.019515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.019515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.019515 (E_RNA)
where:
Base-Base interactions energy: -407.566
where: short stacking energy: -187.372
Base-Backbone interact. energy: -0.931
local terms energy: -172.522420
where:
bonds (distance) C4'-P energy: -27.538
bonds (distance) P-C4' energy: -32.068
flat angles C4'-P-C4' energy: -38.889
flat angles P-C4'-P energy: -24.632
tors. eta vs tors. theta energy: -49.395
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: 400
Temperature: 1.050000
Total energy: -531.751400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.751400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.751400 (E_RNA)
where:
Base-Base interactions energy: -372.322
where: short stacking energy: -161.059
Base-Backbone interact. energy: -2.114
local terms energy: -157.315569
where:
bonds (distance) C4'-P energy: -19.008
bonds (distance) P-C4' energy: -32.088
flat angles C4'-P-C4' energy: -38.641
flat angles P-C4'-P energy: -28.058
tors. eta vs tors. theta energy: -39.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -513.307355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.307355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.307355 (E_RNA)
where:
Base-Base interactions energy: -361.370
where: short stacking energy: -147.689
Base-Backbone interact. energy: 0.426
local terms energy: -152.362743
where:
bonds (distance) C4'-P energy: -28.452
bonds (distance) P-C4' energy: -33.812
flat angles C4'-P-C4' energy: -27.770
flat angles P-C4'-P energy: -22.782
tors. eta vs tors. theta energy: -39.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -516.666413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.666413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.666413 (E_RNA)
where:
Base-Base interactions energy: -365.147
where: short stacking energy: -150.854
Base-Backbone interact. energy: -0.503
local terms energy: -151.016576
where:
bonds (distance) C4'-P energy: -26.609
bonds (distance) P-C4' energy: -32.193
flat angles C4'-P-C4' energy: -35.543
flat angles P-C4'-P energy: -19.398
tors. eta vs tors. theta energy: -37.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -386.937779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.937779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.937779 (E_RNA)
where:
Base-Base interactions energy: -259.269
where: short stacking energy: -118.499
Base-Backbone interact. energy: -1.179
local terms energy: -126.489788
where:
bonds (distance) C4'-P energy: -29.527
bonds (distance) P-C4' energy: -31.152
flat angles C4'-P-C4' energy: -27.579
flat angles P-C4'-P energy: -14.432
tors. eta vs tors. theta energy: -23.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -439.216087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.216087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.216087 (E_RNA)
where:
Base-Base interactions energy: -314.347
where: short stacking energy: -133.482
Base-Backbone interact. energy: 0.941
local terms energy: -125.809562
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -36.438
flat angles C4'-P-C4' energy: -30.981
flat angles P-C4'-P energy: -14.295
tors. eta vs tors. theta energy: -28.932
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: 10
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -372.869403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.869403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.869403 (E_RNA)
where:
Base-Base interactions energy: -243.757
where: short stacking energy: -117.655
Base-Backbone interact. energy: -0.175
local terms energy: -128.938120
where:
bonds (distance) C4'-P energy: -29.875
bonds (distance) P-C4' energy: -26.799
flat angles C4'-P-C4' energy: -30.898
flat angles P-C4'-P energy: -19.837
tors. eta vs tors. theta energy: -21.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -224.815612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.815612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.815612 (E_RNA)
where:
Base-Base interactions energy: -118.190
where: short stacking energy: -67.066
Base-Backbone interact. energy: -1.277
local terms energy: -105.349159
where:
bonds (distance) C4'-P energy: -29.188
bonds (distance) P-C4' energy: -32.238
flat angles C4'-P-C4' energy: -27.782
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -4.759
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: 2
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -626.700056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.700056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.700056 (E_RNA)
where:
Base-Base interactions energy: -439.215
where: short stacking energy: -181.399
Base-Backbone interact. energy: -0.339
local terms energy: -187.146623
where:
bonds (distance) C4'-P energy: -34.847
bonds (distance) P-C4' energy: -36.062
flat angles C4'-P-C4' energy: -40.451
flat angles P-C4'-P energy: -29.887
tors. eta vs tors. theta energy: -45.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -585.021089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.021089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.021089 (E_RNA)
where:
Base-Base interactions energy: -407.525
where: short stacking energy: -183.393
Base-Backbone interact. energy: -0.627
local terms energy: -176.869418
where:
bonds (distance) C4'-P energy: -34.118
bonds (distance) P-C4' energy: -25.983
flat angles C4'-P-C4' energy: -38.414
flat angles P-C4'-P energy: -27.414
tors. eta vs tors. theta energy: -50.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -581.417691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.417691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.417691 (E_RNA)
where:
Base-Base interactions energy: -411.149
where: short stacking energy: -161.163
Base-Backbone interact. energy: -1.461
local terms energy: -168.807371
where:
bonds (distance) C4'-P energy: -35.961
bonds (distance) P-C4' energy: -31.787
flat angles C4'-P-C4' energy: -33.548
flat angles P-C4'-P energy: -25.059
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: 4, replica: 8
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -544.311272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.311272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.311272 (E_RNA)
where:
Base-Base interactions energy: -376.997
where: short stacking energy: -169.429
Base-Backbone interact. energy: -0.491
local terms energy: -166.823255
where:
bonds (distance) C4'-P energy: -33.886
bonds (distance) P-C4' energy: -29.539
flat angles C4'-P-C4' energy: -38.275
flat angles P-C4'-P energy: -20.039
tors. eta vs tors. theta energy: -45.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -515.949302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.949302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.949302 (E_RNA)
where:
Base-Base interactions energy: -345.918
where: short stacking energy: -153.919
Base-Backbone interact. energy: -0.132
local terms energy: -169.898434
where:
bonds (distance) C4'-P energy: -37.726
bonds (distance) P-C4' energy: -31.386
flat angles C4'-P-C4' energy: -39.540
flat angles P-C4'-P energy: -16.974
tors. eta vs tors. theta energy: -44.273
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: 6
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -491.561530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.561530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.561530 (E_RNA)
where:
Base-Base interactions energy: -333.634
where: short stacking energy: -161.536
Base-Backbone interact. energy: -0.603
local terms energy: -157.324873
where:
bonds (distance) C4'-P energy: -27.525
bonds (distance) P-C4' energy: -32.142
flat angles C4'-P-C4' energy: -37.250
flat angles P-C4'-P energy: -18.448
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: 7, replica: 4
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -383.598225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.598225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.598225 (E_RNA)
where:
Base-Base interactions energy: -245.149
where: short stacking energy: -115.528
Base-Backbone interact. energy: -0.738
local terms energy: -137.710893
where:
bonds (distance) C4'-P energy: -34.766
bonds (distance) P-C4' energy: -24.892
flat angles C4'-P-C4' energy: -29.104
flat angles P-C4'-P energy: -20.906
tors. eta vs tors. theta energy: -28.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -432.181476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.181476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.181476 (E_RNA)
where:
Base-Base interactions energy: -298.999
where: short stacking energy: -121.971
Base-Backbone interact. energy: 0.836
local terms energy: -134.018547
where:
bonds (distance) C4'-P energy: -25.786
bonds (distance) P-C4' energy: -28.795
flat angles C4'-P-C4' energy: -22.587
flat angles P-C4'-P energy: -28.306
tors. eta vs tors. theta energy: -28.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -346.326990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.326990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.326990 (E_RNA)
where:
Base-Base interactions energy: -233.979
where: short stacking energy: -98.503
Base-Backbone interact. energy: -0.571
local terms energy: -111.776509
where:
bonds (distance) C4'-P energy: -23.378
bonds (distance) P-C4' energy: -33.875
flat angles C4'-P-C4' energy: -19.543
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -25.505
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: 401
Temperature: 1.350000
Total energy: -237.242114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.242114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.242114 (E_RNA)
where:
Base-Base interactions energy: -114.909
where: short stacking energy: -59.001
Base-Backbone interact. energy: -0.958
local terms energy: -121.375142
where:
bonds (distance) C4'-P energy: -29.745
bonds (distance) P-C4' energy: -31.643
flat angles C4'-P-C4' energy: -31.626
flat angles P-C4'-P energy: -21.523
tors. eta vs tors. theta energy: -6.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -598.642485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.642485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.642485 (E_RNA)
where:
Base-Base interactions energy: -396.669
where: short stacking energy: -171.948
Base-Backbone interact. energy: -1.107
local terms energy: -200.866922
where:
bonds (distance) C4'-P energy: -35.131
bonds (distance) P-C4' energy: -39.867
flat angles C4'-P-C4' energy: -38.217
flat angles P-C4'-P energy: -31.643
tors. eta vs tors. theta energy: -56.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -591.456444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.456444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.456444 (E_RNA)
where:
Base-Base interactions energy: -424.691
where: short stacking energy: -180.811
Base-Backbone interact. energy: -0.596
local terms energy: -166.168804
where:
bonds (distance) C4'-P energy: -27.181
bonds (distance) P-C4' energy: -35.774
flat angles C4'-P-C4' energy: -32.809
flat angles P-C4'-P energy: -21.638
tors. eta vs tors. theta energy: -48.767
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: 1
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -581.737204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.737204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.737204 (E_RNA)
where:
Base-Base interactions energy: -405.743
where: short stacking energy: -154.226
Base-Backbone interact. energy: -0.523
local terms energy: -175.470757
where:
bonds (distance) C4'-P energy: -27.763
bonds (distance) P-C4' energy: -33.600
flat angles C4'-P-C4' energy: -40.818
flat angles P-C4'-P energy: -23.328
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: 8
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -534.181214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.181214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.181214 (E_RNA)
where:
Base-Base interactions energy: -367.286
where: short stacking energy: -156.337
Base-Backbone interact. energy: -0.894
local terms energy: -166.001105
where:
bonds (distance) C4'-P energy: -30.351
bonds (distance) P-C4' energy: -34.680
flat angles C4'-P-C4' energy: -38.821
flat angles P-C4'-P energy: -22.971
tors. eta vs tors. theta energy: -39.178
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: 5, replica: 7
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -521.515928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.515928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.515928 (E_RNA)
where:
Base-Base interactions energy: -365.067
where: short stacking energy: -153.964
Base-Backbone interact. energy: -0.447
local terms energy: -156.001527
where:
bonds (distance) C4'-P energy: -22.040
bonds (distance) P-C4' energy: -31.851
flat angles C4'-P-C4' energy: -37.894
flat angles P-C4'-P energy: -21.941
tors. eta vs tors. theta energy: -42.275
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: 6
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -485.995083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.995083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.995083 (E_RNA)
where:
Base-Base interactions energy: -342.671
where: short stacking energy: -137.694
Base-Backbone interact. energy: -0.789
local terms energy: -142.534491
where:
bonds (distance) C4'-P energy: -30.651
bonds (distance) P-C4' energy: -25.208
flat angles C4'-P-C4' energy: -31.307
flat angles P-C4'-P energy: -20.042
tors. eta vs tors. theta energy: -35.327
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: 5
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -412.222809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.222809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.222809 (E_RNA)
where:
Base-Base interactions energy: -272.467
where: short stacking energy: -97.199
Base-Backbone interact. energy: -1.509
local terms energy: -138.246655
where:
bonds (distance) C4'-P energy: -29.636
bonds (distance) P-C4' energy: -36.308
flat angles C4'-P-C4' energy: -28.470
flat angles P-C4'-P energy: -23.548
tors. eta vs tors. theta energy: -20.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -361.139416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.139416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.139416 (E_RNA)
where:
Base-Base interactions energy: -237.195
where: short stacking energy: -107.025
Base-Backbone interact. energy: -0.371
local terms energy: -123.573273
where:
bonds (distance) C4'-P energy: -31.356
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -29.660
flat angles P-C4'-P energy: -19.669
tors. eta vs tors. theta energy: -25.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -329.609560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.609560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.609560 (E_RNA)
where:
Base-Base interactions energy: -205.266
where: short stacking energy: -86.728
Base-Backbone interact. energy: -0.498
local terms energy: -123.845476
where:
bonds (distance) C4'-P energy: -27.264
bonds (distance) P-C4' energy: -35.426
flat angles C4'-P-C4' energy: -30.346
flat angles P-C4'-P energy: -20.751
tors. eta vs tors. theta energy: -10.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -214.353569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.353569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.353569 (E_RNA)
where:
Base-Base interactions energy: -98.658
where: short stacking energy: -56.686
Base-Backbone interact. energy: -0.498
local terms energy: -115.197186
where:
bonds (distance) C4'-P energy: -37.143
bonds (distance) P-C4' energy: -24.446
flat angles C4'-P-C4' energy: -24.061
flat angles P-C4'-P energy: -23.871
tors. eta vs tors. theta energy: -5.677
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: 9
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -599.474010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.474010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.474010 (E_RNA)
where:
Base-Base interactions energy: -410.097
where: short stacking energy: -188.004
Base-Backbone interact. energy: 0.158
local terms energy: -189.534939
where:
bonds (distance) C4'-P energy: -35.389
bonds (distance) P-C4' energy: -35.064
flat angles C4'-P-C4' energy: -41.079
flat angles P-C4'-P energy: -26.275
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: 403
Temperature: 0.950000
Total energy: -604.997250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.997250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.997250 (E_RNA)
where:
Base-Base interactions energy: -429.220
where: short stacking energy: -174.224
Base-Backbone interact. energy: -0.000
local terms energy: -175.777065
where:
bonds (distance) C4'-P energy: -32.527
bonds (distance) P-C4' energy: -38.028
flat angles C4'-P-C4' energy: -39.783
flat angles P-C4'-P energy: -28.816
tors. eta vs tors. theta energy: -36.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -576.895344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.895344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.895344 (E_RNA)
where:
Base-Base interactions energy: -414.528
where: short stacking energy: -172.477
Base-Backbone interact. energy: -0.055
local terms energy: -162.311758
where:
bonds (distance) C4'-P energy: -33.306
bonds (distance) P-C4' energy: -32.506
flat angles C4'-P-C4' energy: -34.070
flat angles P-C4'-P energy: -18.461
tors. eta vs tors. theta energy: -43.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -540.319855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.319855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.319855 (E_RNA)
where:
Base-Base interactions energy: -375.134
where: short stacking energy: -159.735
Base-Backbone interact. energy: 0.356
local terms energy: -165.541027
where:
bonds (distance) C4'-P energy: -21.081
bonds (distance) P-C4' energy: -31.820
flat angles C4'-P-C4' energy: -41.882
flat angles P-C4'-P energy: -31.724
tors. eta vs tors. theta energy: -39.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -522.986263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.986263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.986263 (E_RNA)
where:
Base-Base interactions energy: -357.529
where: short stacking energy: -147.891
Base-Backbone interact. energy: -0.070
local terms energy: -165.387104
where:
bonds (distance) C4'-P energy: -24.865
bonds (distance) P-C4' energy: -32.074
flat angles C4'-P-C4' energy: -39.840
flat angles P-C4'-P energy: -24.800
tors. eta vs tors. theta energy: -43.807
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: 6, replica: 6
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -477.445607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.445607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.445607 (E_RNA)
where:
Base-Base interactions energy: -330.901
where: short stacking energy: -140.714
Base-Backbone interact. energy: -0.823
local terms energy: -145.720905
where:
bonds (distance) C4'-P energy: -32.924
bonds (distance) P-C4' energy: -26.843
flat angles C4'-P-C4' energy: -29.802
flat angles P-C4'-P energy: -22.279
tors. eta vs tors. theta energy: -33.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -444.665463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.665463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.665463 (E_RNA)
where:
Base-Base interactions energy: -300.594
where: short stacking energy: -123.244
Base-Backbone interact. energy: -0.235
local terms energy: -143.835966
where:
bonds (distance) C4'-P energy: -30.446
bonds (distance) P-C4' energy: -29.580
flat angles C4'-P-C4' energy: -31.837
flat angles P-C4'-P energy: -20.110
tors. eta vs tors. theta energy: -31.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -329.732532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.732532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.732532 (E_RNA)
where:
Base-Base interactions energy: -217.068
where: short stacking energy: -106.549
Base-Backbone interact. energy: -0.492
local terms energy: -112.172573
where:
bonds (distance) C4'-P energy: -30.655
bonds (distance) P-C4' energy: -22.211
flat angles C4'-P-C4' energy: -26.019
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -19.264
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: 4
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -345.388121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.388121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.388121 (E_RNA)
where:
Base-Base interactions energy: -225.574
where: short stacking energy: -112.963
Base-Backbone interact. energy: -1.083
local terms energy: -118.730714
where:
bonds (distance) C4'-P energy: -22.955
bonds (distance) P-C4' energy: -31.204
flat angles C4'-P-C4' energy: -20.936
flat angles P-C4'-P energy: -14.862
tors. eta vs tors. theta energy: -28.774
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: 403
Temperature: 1.350000
Total energy: -214.027645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.027645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.027645 (E_RNA)
where:
Base-Base interactions energy: -113.086
where: short stacking energy: -67.468
Base-Backbone interact. energy: -0.160
local terms energy: -100.782431
where:
bonds (distance) C4'-P energy: -32.524
bonds (distance) P-C4' energy: -32.808
flat angles C4'-P-C4' energy: -23.001
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -2.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -620.864776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.864776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.864776 (E_RNA)
where:
Base-Base interactions energy: -445.997
where: short stacking energy: -174.632
Base-Backbone interact. energy: -0.436
local terms energy: -174.431355
where:
bonds (distance) C4'-P energy: -38.001
bonds (distance) P-C4' energy: -27.984
flat angles C4'-P-C4' energy: -37.522
flat angles P-C4'-P energy: -21.714
tors. eta vs tors. theta energy: -49.211
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: 2, replica: 9
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -588.706740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.706740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.706740 (E_RNA)
where:
Base-Base interactions energy: -403.791
where: short stacking energy: -183.765
Base-Backbone interact. energy: -0.347
local terms energy: -184.568138
where:
bonds (distance) C4'-P energy: -32.857
bonds (distance) P-C4' energy: -38.372
flat angles C4'-P-C4' energy: -35.349
flat angles P-C4'-P energy: -22.147
tors. eta vs tors. theta energy: -55.843
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: 1
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -557.638788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.638788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.638788 (E_RNA)
where:
Base-Base interactions energy: -399.994
where: short stacking energy: -150.916
Base-Backbone interact. energy: -2.420
local terms energy: -155.224283
where:
bonds (distance) C4'-P energy: -28.275
bonds (distance) P-C4' energy: -29.550
flat angles C4'-P-C4' energy: -30.442
flat angles P-C4'-P energy: -25.754
tors. eta vs tors. theta energy: -41.204
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: 8
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -532.675612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.675612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.675612 (E_RNA)
where:
Base-Base interactions energy: -373.243
where: short stacking energy: -162.560
Base-Backbone interact. energy: -0.839
local terms energy: -158.593028
where:
bonds (distance) C4'-P energy: -29.320
bonds (distance) P-C4' energy: -27.907
flat angles C4'-P-C4' energy: -37.489
flat angles P-C4'-P energy: -21.903
tors. eta vs tors. theta energy: -41.974
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: 6
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -473.818775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.818775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.818775 (E_RNA)
where:
Base-Base interactions energy: -323.615
where: short stacking energy: -146.209
Base-Backbone interact. energy: -0.626
local terms energy: -149.577809
where:
bonds (distance) C4'-P energy: -25.539
bonds (distance) P-C4' energy: -25.159
flat angles C4'-P-C4' energy: -38.533
flat angles P-C4'-P energy: -24.797
tors. eta vs tors. theta energy: -35.551
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: 7
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -478.839568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.839568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.839568 (E_RNA)
where:
Base-Base interactions energy: -323.401
where: short stacking energy: -134.055
Base-Backbone interact. energy: -0.180
local terms energy: -155.258237
where:
bonds (distance) C4'-P energy: -29.629
bonds (distance) P-C4' energy: -29.242
flat angles C4'-P-C4' energy: -34.687
flat angles P-C4'-P energy: -24.327
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: 5
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -419.340922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.340922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.340922 (E_RNA)
where:
Base-Base interactions energy: -271.298
where: short stacking energy: -113.261
Base-Backbone interact. energy: -0.443
local terms energy: -147.600582
where:
bonds (distance) C4'-P energy: -31.875
bonds (distance) P-C4' energy: -39.031
flat angles C4'-P-C4' energy: -35.542
flat angles P-C4'-P energy: -20.186
tors. eta vs tors. theta energy: -20.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -347.677480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.677480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.677480 (E_RNA)
where:
Base-Base interactions energy: -218.698
where: short stacking energy: -96.988
Base-Backbone interact. energy: -0.807
local terms energy: -128.172811
where:
bonds (distance) C4'-P energy: -31.894
bonds (distance) P-C4' energy: -31.464
flat angles C4'-P-C4' energy: -33.058
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: -17.326
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: 4
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -321.314072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.314072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.314072 (E_RNA)
where:
Base-Base interactions energy: -204.155
where: short stacking energy: -84.054
Base-Backbone interact. energy: -0.545
local terms energy: -116.613555
where:
bonds (distance) C4'-P energy: -30.984
bonds (distance) P-C4' energy: -35.648
flat angles C4'-P-C4' energy: -24.626
flat angles P-C4'-P energy: -15.078
tors. eta vs tors. theta energy: -10.279
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: 3
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -217.975549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.975549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.975549 (E_RNA)
where:
Base-Base interactions energy: -119.197
where: short stacking energy: -73.603
Base-Backbone interact. energy: 1.765
local terms energy: -100.543018
where:
bonds (distance) C4'-P energy: -29.566
bonds (distance) P-C4' energy: -28.697
flat angles C4'-P-C4' energy: -21.468
flat angles P-C4'-P energy: -12.380
tors. eta vs tors. theta energy: -8.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -629.450086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.450086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.450086 (E_RNA)
where:
Base-Base interactions energy: -449.075
where: short stacking energy: -177.220
Base-Backbone interact. energy: -0.352
local terms energy: -180.022735
where:
bonds (distance) C4'-P energy: -35.969
bonds (distance) P-C4' energy: -37.451
flat angles C4'-P-C4' energy: -35.481
flat angles P-C4'-P energy: -24.456
tors. eta vs tors. theta energy: -46.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -581.553626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.553626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.553626 (E_RNA)
where:
Base-Base interactions energy: -408.626
where: short stacking energy: -174.400
Base-Backbone interact. energy: -0.859
local terms energy: -172.067911
where:
bonds (distance) C4'-P energy: -32.190
bonds (distance) P-C4' energy: -35.368
flat angles C4'-P-C4' energy: -32.686
flat angles P-C4'-P energy: -21.988
tors. eta vs tors. theta energy: -49.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -573.530840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.530840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.530840 (E_RNA)
where:
Base-Base interactions energy: -397.685
where: short stacking energy: -175.677
Base-Backbone interact. energy: -0.502
local terms energy: -175.343683
where:
bonds (distance) C4'-P energy: -30.114
bonds (distance) P-C4' energy: -33.209
flat angles C4'-P-C4' energy: -40.477
flat angles P-C4'-P energy: -24.988
tors. eta vs tors. theta energy: -46.555
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: 405
Temperature: 1.050000
Total energy: -520.144970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.144970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.144970 (E_RNA)
where:
Base-Base interactions energy: -370.750
where: short stacking energy: -147.485
Base-Backbone interact. energy: -0.405
local terms energy: -148.989754
where:
bonds (distance) C4'-P energy: -33.023
bonds (distance) P-C4' energy: -29.793
flat angles C4'-P-C4' energy: -29.157
flat angles P-C4'-P energy: -22.786
tors. eta vs tors. theta energy: -34.231
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: 6
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -457.367128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.367128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.367128 (E_RNA)
where:
Base-Base interactions energy: -304.391
where: short stacking energy: -133.221
Base-Backbone interact. energy: -1.458
local terms energy: -151.517737
where:
bonds (distance) C4'-P energy: -33.198
bonds (distance) P-C4' energy: -34.826
flat angles C4'-P-C4' energy: -33.164
flat angles P-C4'-P energy: -19.342
tors. eta vs tors. theta energy: -30.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -426.237431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.237431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.237431 (E_RNA)
where:
Base-Base interactions energy: -290.646
where: short stacking energy: -131.188
Base-Backbone interact. energy: 4.934
local terms energy: -140.526160
where:
bonds (distance) C4'-P energy: -28.936
bonds (distance) P-C4' energy: -21.987
flat angles C4'-P-C4' energy: -35.799
flat angles P-C4'-P energy: -24.085
tors. eta vs tors. theta energy: -29.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -474.349356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.349356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.349356 (E_RNA)
where:
Base-Base interactions energy: -317.923
where: short stacking energy: -132.804
Base-Backbone interact. energy: 0.073
local terms energy: -156.499792
where:
bonds (distance) C4'-P energy: -36.799
bonds (distance) P-C4' energy: -31.908
flat angles C4'-P-C4' energy: -30.070
flat angles P-C4'-P energy: -19.666
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: 8, replica: 10
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -340.598004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.598004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.598004 (E_RNA)
where:
Base-Base interactions energy: -234.328
where: short stacking energy: -104.360
Base-Backbone interact. energy: 1.575
local terms energy: -107.844492
where:
bonds (distance) C4'-P energy: -28.713
bonds (distance) P-C4' energy: -22.739
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -23.683
tors. eta vs tors. theta energy: -14.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -334.784962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.784962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.784962 (E_RNA)
where:
Base-Base interactions energy: -199.487
where: short stacking energy: -98.895
Base-Backbone interact. energy: -0.612
local terms energy: -134.686361
where:
bonds (distance) C4'-P energy: -36.515
bonds (distance) P-C4' energy: -27.302
flat angles C4'-P-C4' energy: -29.840
flat angles P-C4'-P energy: -20.540
tors. eta vs tors. theta energy: -20.490
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: 3
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -216.170877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.170877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.170877 (E_RNA)
where:
Base-Base interactions energy: -100.168
where: short stacking energy: -59.474
Base-Backbone interact. energy: -0.617
local terms energy: -115.385881
where:
bonds (distance) C4'-P energy: -23.258
bonds (distance) P-C4' energy: -34.263
flat angles C4'-P-C4' energy: -28.982
flat angles P-C4'-P energy: -22.817
tors. eta vs tors. theta energy: -6.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -618.387245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.387245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.387245 (E_RNA)
where:
Base-Base interactions energy: -439.064
where: short stacking energy: -178.204
Base-Backbone interact. energy: -0.959
local terms energy: -178.364419
where:
bonds (distance) C4'-P energy: -35.056
bonds (distance) P-C4' energy: -32.419
flat angles C4'-P-C4' energy: -38.862
flat angles P-C4'-P energy: -24.293
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: 2, replica: 1
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -577.211382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.211382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.211382 (E_RNA)
where:
Base-Base interactions energy: -419.087
where: short stacking energy: -156.857
Base-Backbone interact. energy: -0.607
local terms energy: -157.517718
where:
bonds (distance) C4'-P energy: -31.191
bonds (distance) P-C4' energy: -31.136
flat angles C4'-P-C4' energy: -32.966
flat angles P-C4'-P energy: -22.277
tors. eta vs tors. theta energy: -39.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -591.274896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.274896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.274896 (E_RNA)
where:
Base-Base interactions energy: -395.229
where: short stacking energy: -177.886
Base-Backbone interact. energy: -0.006
local terms energy: -196.040058
where:
bonds (distance) C4'-P energy: -33.919
bonds (distance) P-C4' energy: -36.880
flat angles C4'-P-C4' energy: -40.756
flat angles P-C4'-P energy: -28.154
tors. eta vs tors. theta energy: -56.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -561.377551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.377551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.377551 (E_RNA)
where:
Base-Base interactions energy: -397.562
where: short stacking energy: -176.008
Base-Backbone interact. energy: 1.113
local terms energy: -164.928349
where:
bonds (distance) C4'-P energy: -24.692
bonds (distance) P-C4' energy: -30.269
flat angles C4'-P-C4' energy: -35.877
flat angles P-C4'-P energy: -27.927
tors. eta vs tors. theta energy: -46.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -501.785562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.785562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.785562 (E_RNA)
where:
Base-Base interactions energy: -350.136
where: short stacking energy: -149.391
Base-Backbone interact. energy: -0.379
local terms energy: -151.270201
where:
bonds (distance) C4'-P energy: -33.400
bonds (distance) P-C4' energy: -30.699
flat angles C4'-P-C4' energy: -31.647
flat angles P-C4'-P energy: -15.467
tors. eta vs tors. theta energy: -40.057
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: 5
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -449.378965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.378965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.378965 (E_RNA)
where:
Base-Base interactions energy: -298.192
where: short stacking energy: -134.228
Base-Backbone interact. energy: -0.298
local terms energy: -150.888861
where:
bonds (distance) C4'-P energy: -29.014
bonds (distance) P-C4' energy: -36.597
flat angles C4'-P-C4' energy: -36.101
flat angles P-C4'-P energy: -23.396
tors. eta vs tors. theta energy: -25.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -490.105911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.105911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.105911 (E_RNA)
where:
Base-Base interactions energy: -340.750
where: short stacking energy: -142.795
Base-Backbone interact. energy: -0.514
local terms energy: -148.841763
where:
bonds (distance) C4'-P energy: -31.124
bonds (distance) P-C4' energy: -28.103
flat angles C4'-P-C4' energy: -28.337
flat angles P-C4'-P energy: -21.385
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: 8, replica: 10
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -374.366836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.366836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.366836 (E_RNA)
where:
Base-Base interactions energy: -256.374
where: short stacking energy: -110.636
Base-Backbone interact. energy: 0.154
local terms energy: -118.147002
where:
bonds (distance) C4'-P energy: -21.806
bonds (distance) P-C4' energy: -25.393
flat angles C4'-P-C4' energy: -35.015
flat angles P-C4'-P energy: -19.301
tors. eta vs tors. theta energy: -16.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -325.675887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.675887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.675887 (E_RNA)
where:
Base-Base interactions energy: -202.741
where: short stacking energy: -110.943
Base-Backbone interact. energy: 2.732
local terms energy: -125.667240
where:
bonds (distance) C4'-P energy: -33.670
bonds (distance) P-C4' energy: -24.683
flat angles C4'-P-C4' energy: -30.899
flat angles P-C4'-P energy: -15.789
tors. eta vs tors. theta energy: -20.627
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: 3
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -219.485061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.485061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.485061 (E_RNA)
where:
Base-Base interactions energy: -109.214
where: short stacking energy: -61.303
Base-Backbone interact. energy: -0.437
local terms energy: -109.834219
where:
bonds (distance) C4'-P energy: -28.830
bonds (distance) P-C4' energy: -36.137
flat angles C4'-P-C4' energy: -27.279
flat angles P-C4'-P energy: -16.378
tors. eta vs tors. theta energy: -1.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -623.426701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.426701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.426701 (E_RNA)
where:
Base-Base interactions energy: -453.285
where: short stacking energy: -176.150
Base-Backbone interact. energy: -1.258
local terms energy: -168.883837
where:
bonds (distance) C4'-P energy: -36.101
bonds (distance) P-C4' energy: -34.604
flat angles C4'-P-C4' energy: -28.502
flat angles P-C4'-P energy: -22.600
tors. eta vs tors. theta energy: -47.077
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: 1
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -588.761498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.761498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.761498 (E_RNA)
where:
Base-Base interactions energy: -406.076
where: short stacking energy: -164.109
Base-Backbone interact. energy: -1.344
local terms energy: -181.341795
where:
bonds (distance) C4'-P energy: -36.201
bonds (distance) P-C4' energy: -30.714
flat angles C4'-P-C4' energy: -36.053
flat angles P-C4'-P energy: -30.975
tors. eta vs tors. theta energy: -47.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -577.424996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.424996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.424996 (E_RNA)
where:
Base-Base interactions energy: -390.421
where: short stacking energy: -166.934
Base-Backbone interact. energy: 1.188
local terms energy: -188.192219
where:
bonds (distance) C4'-P energy: -33.556
bonds (distance) P-C4' energy: -35.549
flat angles C4'-P-C4' energy: -40.119
flat angles P-C4'-P energy: -24.590
tors. eta vs tors. theta energy: -54.379
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: 407
Temperature: 1.050000
Total energy: -522.615296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.615296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.615296 (E_RNA)
where:
Base-Base interactions energy: -357.737
where: short stacking energy: -159.259
Base-Backbone interact. energy: 0.918
local terms energy: -165.796764
where:
bonds (distance) C4'-P energy: -31.923
bonds (distance) P-C4' energy: -29.132
flat angles C4'-P-C4' energy: -35.424
flat angles P-C4'-P energy: -25.410
tors. eta vs tors. theta energy: -43.908
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: 5, replica: 8
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -532.566837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.566837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.566837 (E_RNA)
where:
Base-Base interactions energy: -369.554
where: short stacking energy: -148.786
Base-Backbone interact. energy: 0.881
local terms energy: -163.894260
where:
bonds (distance) C4'-P energy: -33.703
bonds (distance) P-C4' energy: -34.755
flat angles C4'-P-C4' energy: -29.942
flat angles P-C4'-P energy: -23.554
tors. eta vs tors. theta energy: -41.940
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: 7
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -489.017706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.017706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.017706 (E_RNA)
where:
Base-Base interactions energy: -347.458
where: short stacking energy: -150.420
Base-Backbone interact. energy: -1.965
local terms energy: -139.594313
where:
bonds (distance) C4'-P energy: -23.923
bonds (distance) P-C4' energy: -35.689
flat angles C4'-P-C4' energy: -26.727
flat angles P-C4'-P energy: -21.933
tors. eta vs tors. theta energy: -31.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -428.106243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.106243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.106243 (E_RNA)
where:
Base-Base interactions energy: -298.681
where: short stacking energy: -117.324
Base-Backbone interact. energy: -0.659
local terms energy: -128.766523
where:
bonds (distance) C4'-P energy: -24.214
bonds (distance) P-C4' energy: -30.451
flat angles C4'-P-C4' energy: -30.577
flat angles P-C4'-P energy: -14.767
tors. eta vs tors. theta energy: -28.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -357.350151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.350151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.350151 (E_RNA)
where:
Base-Base interactions energy: -218.803
where: short stacking energy: -108.306
Base-Backbone interact. energy: -1.355
local terms energy: -137.192352
where:
bonds (distance) C4'-P energy: -31.430
bonds (distance) P-C4' energy: -30.282
flat angles C4'-P-C4' energy: -29.407
flat angles P-C4'-P energy: -21.131
tors. eta vs tors. theta energy: -24.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -341.527952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.527952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.527952 (E_RNA)
where:
Base-Base interactions energy: -230.063
where: short stacking energy: -101.057
Base-Backbone interact. energy: 0.919
local terms energy: -112.384365
where:
bonds (distance) C4'-P energy: -29.484
bonds (distance) P-C4' energy: -33.108
flat angles C4'-P-C4' energy: -25.606
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -10.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -228.601381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.601381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.601381 (E_RNA)
where:
Base-Base interactions energy: -125.227
where: short stacking energy: -67.358
Base-Backbone interact. energy: -0.602
local terms energy: -102.772918
where:
bonds (distance) C4'-P energy: -25.245
bonds (distance) P-C4' energy: -34.448
flat angles C4'-P-C4' energy: -22.966
flat angles P-C4'-P energy: -13.815
tors. eta vs tors. theta energy: -6.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -628.627412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.627412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.627412 (E_RNA)
where:
Base-Base interactions energy: -452.774
where: short stacking energy: -184.707
Base-Backbone interact. energy: -1.925
local terms energy: -173.928268
where:
bonds (distance) C4'-P energy: -29.778
bonds (distance) P-C4' energy: -37.012
flat angles C4'-P-C4' energy: -34.253
flat angles P-C4'-P energy: -27.661
tors. eta vs tors. theta energy: -45.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -592.924051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.924051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.924051 (E_RNA)
where:
Base-Base interactions energy: -423.207
where: short stacking energy: -162.760
Base-Backbone interact. energy: -1.952
local terms energy: -167.764390
where:
bonds (distance) C4'-P energy: -29.708
bonds (distance) P-C4' energy: -32.602
flat angles C4'-P-C4' energy: -38.280
flat angles P-C4'-P energy: -24.226
tors. eta vs tors. theta energy: -42.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -578.733888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.733888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.733888 (E_RNA)
where:
Base-Base interactions energy: -401.342
where: short stacking energy: -176.818
Base-Backbone interact. energy: -0.636
local terms energy: -176.756185
where:
bonds (distance) C4'-P energy: -32.342
bonds (distance) P-C4' energy: -28.325
flat angles C4'-P-C4' energy: -36.494
flat angles P-C4'-P energy: -26.907
tors. eta vs tors. theta energy: -52.688
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: 4, replica: 6
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -528.351969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.351969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.351969 (E_RNA)
where:
Base-Base interactions energy: -351.179
where: short stacking energy: -157.347
Base-Backbone interact. energy: -0.122
local terms energy: -177.051349
where:
bonds (distance) C4'-P energy: -36.625
bonds (distance) P-C4' energy: -32.776
flat angles C4'-P-C4' energy: -33.067
flat angles P-C4'-P energy: -27.043
tors. eta vs tors. theta energy: -47.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -540.131912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.131912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.131912 (E_RNA)
where:
Base-Base interactions energy: -380.110
where: short stacking energy: -155.732
Base-Backbone interact. energy: -0.920
local terms energy: -159.102570
where:
bonds (distance) C4'-P energy: -35.865
bonds (distance) P-C4' energy: -35.501
flat angles C4'-P-C4' energy: -30.069
flat angles P-C4'-P energy: -16.190
tors. eta vs tors. theta energy: -41.477
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: 6, replica: 7
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -500.282288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.282288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.282288 (E_RNA)
where:
Base-Base interactions energy: -336.462
where: short stacking energy: -152.850
Base-Backbone interact. energy: 0.901
local terms energy: -164.721286
where:
bonds (distance) C4'-P energy: -33.017
bonds (distance) P-C4' energy: -29.970
flat angles C4'-P-C4' energy: -35.194
flat angles P-C4'-P energy: -26.142
tors. eta vs tors. theta energy: -40.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -428.643332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.643332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.643332 (E_RNA)
where:
Base-Base interactions energy: -292.836
where: short stacking energy: -118.203
Base-Backbone interact. energy: 1.406
local terms energy: -137.213144
where:
bonds (distance) C4'-P energy: -26.739
bonds (distance) P-C4' energy: -34.709
flat angles C4'-P-C4' energy: -31.037
flat angles P-C4'-P energy: -22.352
tors. eta vs tors. theta energy: -22.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -346.661322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.661322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.661322 (E_RNA)
where:
Base-Base interactions energy: -222.606
where: short stacking energy: -105.929
Base-Backbone interact. energy: -0.401
local terms energy: -123.653931
where:
bonds (distance) C4'-P energy: -26.901
bonds (distance) P-C4' energy: -26.403
flat angles C4'-P-C4' energy: -27.247
flat angles P-C4'-P energy: -18.327
tors. eta vs tors. theta energy: -24.776
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: 10
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -365.564417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.564417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.564417 (E_RNA)
where:
Base-Base interactions energy: -239.725
where: short stacking energy: -119.622
Base-Backbone interact. energy: -0.263
local terms energy: -125.576828
where:
bonds (distance) C4'-P energy: -25.249
bonds (distance) P-C4' energy: -27.218
flat angles C4'-P-C4' energy: -32.027
flat angles P-C4'-P energy: -20.659
tors. eta vs tors. theta energy: -20.424
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: 3
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -225.346707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.346707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.346707 (E_RNA)
where:
Base-Base interactions energy: -110.119
where: short stacking energy: -54.720
Base-Backbone interact. energy: -1.739
local terms energy: -113.489474
where:
bonds (distance) C4'-P energy: -34.738
bonds (distance) P-C4' energy: -35.852
flat angles C4'-P-C4' energy: -21.318
flat angles P-C4'-P energy: -17.391
tors. eta vs tors. theta energy: -4.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -617.570650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.570650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.570650 (E_RNA)
where:
Base-Base interactions energy: -435.575
where: short stacking energy: -173.318
Base-Backbone interact. energy: -1.519
local terms energy: -180.476689
where:
bonds (distance) C4'-P energy: -32.218
bonds (distance) P-C4' energy: -36.816
flat angles C4'-P-C4' energy: -37.306
flat angles P-C4'-P energy: -27.641
tors. eta vs tors. theta energy: -46.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -585.423827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.423827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.423827 (E_RNA)
where:
Base-Base interactions energy: -404.962
where: short stacking energy: -162.809
Base-Backbone interact. energy: -1.037
local terms energy: -179.425053
where:
bonds (distance) C4'-P energy: -36.248
bonds (distance) P-C4' energy: -32.576
flat angles C4'-P-C4' energy: -40.790
flat angles P-C4'-P energy: -29.397
tors. eta vs tors. theta energy: -40.415
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: 3, replica: 9
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -582.100401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.100401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.100401 (E_RNA)
where:
Base-Base interactions energy: -400.672
where: short stacking energy: -174.481
Base-Backbone interact. energy: -0.454
local terms energy: -180.973999
where:
bonds (distance) C4'-P energy: -37.251
bonds (distance) P-C4' energy: -27.568
flat angles C4'-P-C4' energy: -40.111
flat angles P-C4'-P energy: -27.818
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: 4, replica: 8
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -543.730604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.730604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.730604 (E_RNA)
where:
Base-Base interactions energy: -386.321
where: short stacking energy: -161.429
Base-Backbone interact. energy: -1.403
local terms energy: -156.006747
where:
bonds (distance) C4'-P energy: -31.015
bonds (distance) P-C4' energy: -26.969
flat angles C4'-P-C4' energy: -39.123
flat angles P-C4'-P energy: -21.567
tors. eta vs tors. theta energy: -37.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -521.662927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.662927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.662927 (E_RNA)
where:
Base-Base interactions energy: -348.178
where: short stacking energy: -162.317
Base-Backbone interact. energy: -0.378
local terms energy: -173.106667
where:
bonds (distance) C4'-P energy: -28.904
bonds (distance) P-C4' energy: -34.176
flat angles C4'-P-C4' energy: -32.519
flat angles P-C4'-P energy: -27.815
tors. eta vs tors. theta energy: -49.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -495.777889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.777889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.777889 (E_RNA)
where:
Base-Base interactions energy: -338.631
where: short stacking energy: -137.626
Base-Backbone interact. energy: -0.295
local terms energy: -156.852277
where:
bonds (distance) C4'-P energy: -30.426
bonds (distance) P-C4' energy: -35.017
flat angles C4'-P-C4' energy: -34.740
flat angles P-C4'-P energy: -20.625
tors. eta vs tors. theta energy: -36.044
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: 7, replica: 5
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -455.362941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.362941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.362941 (E_RNA)
where:
Base-Base interactions energy: -310.166
where: short stacking energy: -134.279
Base-Backbone interact. energy: -0.580
local terms energy: -144.616517
where:
bonds (distance) C4'-P energy: -34.659
bonds (distance) P-C4' energy: -34.695
flat angles C4'-P-C4' energy: -28.323
flat angles P-C4'-P energy: -23.421
tors. eta vs tors. theta energy: -23.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -370.841130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.841130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.841130 (E_RNA)
where:
Base-Base interactions energy: -235.991
where: short stacking energy: -113.229
Base-Backbone interact. energy: -0.500
local terms energy: -134.349805
where:
bonds (distance) C4'-P energy: -28.339
bonds (distance) P-C4' energy: -28.104
flat angles C4'-P-C4' energy: -28.560
flat angles P-C4'-P energy: -23.626
tors. eta vs tors. theta energy: -25.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -327.505418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.505418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.505418 (E_RNA)
where:
Base-Base interactions energy: -187.833
where: short stacking energy: -84.953
Base-Backbone interact. energy: 0.352
local terms energy: -140.024400
where:
bonds (distance) C4'-P energy: -36.041
bonds (distance) P-C4' energy: -32.837
flat angles C4'-P-C4' energy: -32.613
flat angles P-C4'-P energy: -19.043
tors. eta vs tors. theta energy: -19.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -204.587822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.587822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.587822 (E_RNA)
where:
Base-Base interactions energy: -93.153
where: short stacking energy: -52.805
Base-Backbone interact. energy: -1.653
local terms energy: -109.781109
where:
bonds (distance) C4'-P energy: -29.225
bonds (distance) P-C4' energy: -39.726
flat angles C4'-P-C4' energy: -27.202
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -2.753
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: 2
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -614.088033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.088033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.088033 (E_RNA)
where:
Base-Base interactions energy: -440.251
where: short stacking energy: -174.274
Base-Backbone interact. energy: -0.478
local terms energy: -173.358806
where:
bonds (distance) C4'-P energy: -38.042
bonds (distance) P-C4' energy: -28.909
flat angles C4'-P-C4' energy: -37.284
flat angles P-C4'-P energy: -25.214
tors. eta vs tors. theta energy: -43.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -567.632813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.632813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.632813 (E_RNA)
where:
Base-Base interactions energy: -390.471
where: short stacking energy: -151.990
Base-Backbone interact. energy: -0.546
local terms energy: -176.615870
where:
bonds (distance) C4'-P energy: -34.921
bonds (distance) P-C4' energy: -35.388
flat angles C4'-P-C4' energy: -37.712
flat angles P-C4'-P energy: -26.201
tors. eta vs tors. theta energy: -42.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -587.615478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.615478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.615478 (E_RNA)
where:
Base-Base interactions energy: -403.312
where: short stacking energy: -180.981
Base-Backbone interact. energy: -0.979
local terms energy: -183.324714
where:
bonds (distance) C4'-P energy: -33.446
bonds (distance) P-C4' energy: -36.689
flat angles C4'-P-C4' energy: -39.548
flat angles P-C4'-P energy: -21.738
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: 4, replica: 8
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -543.804979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.804979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.804979 (E_RNA)
where:
Base-Base interactions energy: -376.383
where: short stacking energy: -151.217
Base-Backbone interact. energy: -1.352
local terms energy: -166.069815
where:
bonds (distance) C4'-P energy: -30.219
bonds (distance) P-C4' energy: -36.557
flat angles C4'-P-C4' energy: -36.966
flat angles P-C4'-P energy: -22.830
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: 7
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -533.819341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.819341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.819341 (E_RNA)
where:
Base-Base interactions energy: -379.552
where: short stacking energy: -157.453
Base-Backbone interact. energy: -0.507
local terms energy: -153.761024
where:
bonds (distance) C4'-P energy: -26.776
bonds (distance) P-C4' energy: -30.543
flat angles C4'-P-C4' energy: -34.648
flat angles P-C4'-P energy: -17.046
tors. eta vs tors. theta energy: -44.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -492.125640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.125640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.125640 (E_RNA)
where:
Base-Base interactions energy: -332.652
where: short stacking energy: -146.592
Base-Backbone interact. energy: -0.277
local terms energy: -159.197083
where:
bonds (distance) C4'-P energy: -26.230
bonds (distance) P-C4' energy: -33.066
flat angles C4'-P-C4' energy: -34.180
flat angles P-C4'-P energy: -29.776
tors. eta vs tors. theta energy: -35.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -371.054326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.054326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.054326 (E_RNA)
where:
Base-Base interactions energy: -247.964
where: short stacking energy: -105.562
Base-Backbone interact. energy: -1.305
local terms energy: -121.785494
where:
bonds (distance) C4'-P energy: -18.186
bonds (distance) P-C4' energy: -28.960
flat angles C4'-P-C4' energy: -37.540
flat angles P-C4'-P energy: -20.550
tors. eta vs tors. theta energy: -16.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -398.136625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.136625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.136625 (E_RNA)
where:
Base-Base interactions energy: -265.036
where: short stacking energy: -117.496
Base-Backbone interact. energy: 1.785
local terms energy: -134.885709
where:
bonds (distance) C4'-P energy: -29.428
bonds (distance) P-C4' energy: -32.847
flat angles C4'-P-C4' energy: -30.785
flat angles P-C4'-P energy: -23.640
tors. eta vs tors. theta energy: -18.186
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: 4
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -342.580772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.580772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.580772 (E_RNA)
where:
Base-Base interactions energy: -210.645
where: short stacking energy: -109.603
Base-Backbone interact. energy: -0.712
local terms energy: -131.224115
where:
bonds (distance) C4'-P energy: -33.487
bonds (distance) P-C4' energy: -26.685
flat angles C4'-P-C4' energy: -31.032
flat angles P-C4'-P energy: -15.448
tors. eta vs tors. theta energy: -24.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -160.038548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.038548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.038548 (E_RNA)
where:
Base-Base interactions energy: -77.132
where: short stacking energy: -65.320
Base-Backbone interact. energy: 2.393
local terms energy: -85.299168
where:
bonds (distance) C4'-P energy: -23.021
bonds (distance) P-C4' energy: -19.515
flat angles C4'-P-C4' energy: -26.828
flat angles P-C4'-P energy: -20.104
tors. eta vs tors. theta energy: 4.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -620.184063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.184063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.184063 (E_RNA)
where:
Base-Base interactions energy: -452.666
where: short stacking energy: -177.213
Base-Backbone interact. energy: -0.317
local terms energy: -167.201022
where:
bonds (distance) C4'-P energy: -33.840
bonds (distance) P-C4' energy: -30.196
flat angles C4'-P-C4' energy: -35.748
flat angles P-C4'-P energy: -21.551
tors. eta vs tors. theta energy: -45.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -595.144563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.144563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.144563 (E_RNA)
where:
Base-Base interactions energy: -410.732
where: short stacking energy: -185.371
Base-Backbone interact. energy: -0.007
local terms energy: -184.405886
where:
bonds (distance) C4'-P energy: -35.949
bonds (distance) P-C4' energy: -31.920
flat angles C4'-P-C4' energy: -37.878
flat angles P-C4'-P energy: -25.189
tors. eta vs tors. theta energy: -53.470
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: 1
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -573.676722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.676722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.676722 (E_RNA)
where:
Base-Base interactions energy: -412.704
where: short stacking energy: -168.877
Base-Backbone interact. energy: -0.226
local terms energy: -160.746978
where:
bonds (distance) C4'-P energy: -31.841
bonds (distance) P-C4' energy: -29.316
flat angles C4'-P-C4' energy: -35.081
flat angles P-C4'-P energy: -19.787
tors. eta vs tors. theta energy: -44.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -543.228446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.228446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.228446 (E_RNA)
where:
Base-Base interactions energy: -378.337
where: short stacking energy: -159.089
Base-Backbone interact. energy: -0.235
local terms energy: -164.656523
where:
bonds (distance) C4'-P energy: -32.840
bonds (distance) P-C4' energy: -29.827
flat angles C4'-P-C4' energy: -30.803
flat angles P-C4'-P energy: -28.795
tors. eta vs tors. theta energy: -42.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -548.497494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.497494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.497494 (E_RNA)
where:
Base-Base interactions energy: -382.255
where: short stacking energy: -155.976
Base-Backbone interact. energy: 0.926
local terms energy: -167.168081
where:
bonds (distance) C4'-P energy: -39.055
bonds (distance) P-C4' energy: -28.825
flat angles C4'-P-C4' energy: -36.893
flat angles P-C4'-P energy: -22.553
tors. eta vs tors. theta energy: -39.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -463.329703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.329703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.329703 (E_RNA)
where:
Base-Base interactions energy: -316.442
where: short stacking energy: -131.614
Base-Backbone interact. energy: -0.931
local terms energy: -145.957179
where:
bonds (distance) C4'-P energy: -35.846
bonds (distance) P-C4' energy: -26.859
flat angles C4'-P-C4' energy: -35.728
flat angles P-C4'-P energy: -13.596
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: 7, replica: 10
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -381.947613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.947613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.947613 (E_RNA)
where:
Base-Base interactions energy: -239.070
where: short stacking energy: -119.494
Base-Backbone interact. energy: -0.952
local terms energy: -141.925084
where:
bonds (distance) C4'-P energy: -30.944
bonds (distance) P-C4' energy: -35.566
flat angles C4'-P-C4' energy: -30.592
flat angles P-C4'-P energy: -26.919
tors. eta vs tors. theta energy: -17.905
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: 5
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -411.066328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.066328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.066328 (E_RNA)
where:
Base-Base interactions energy: -292.848
where: short stacking energy: -122.474
Base-Backbone interact. energy: -0.712
local terms energy: -117.506810
where:
bonds (distance) C4'-P energy: -27.506
bonds (distance) P-C4' energy: -29.089
flat angles C4'-P-C4' energy: -27.279
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -23.986
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: 4
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -312.955343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.955343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.955343 (E_RNA)
where:
Base-Base interactions energy: -202.761
where: short stacking energy: -100.487
Base-Backbone interact. energy: 2.203
local terms energy: -112.396781
where:
bonds (distance) C4'-P energy: -26.528
bonds (distance) P-C4' energy: -34.277
flat angles C4'-P-C4' energy: -23.608
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: -14.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -174.742357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.742357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.742357 (E_RNA)
where:
Base-Base interactions energy: -68.020
where: short stacking energy: -68.020
Base-Backbone interact. energy: 3.331
local terms energy: -110.053277
where:
bonds (distance) C4'-P energy: -32.956
bonds (distance) P-C4' energy: -32.447
flat angles C4'-P-C4' energy: -24.917
flat angles P-C4'-P energy: -14.944
tors. eta vs tors. theta energy: -4.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -619.295566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.295566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.295566 (E_RNA)
where:
Base-Base interactions energy: -450.567
where: short stacking energy: -170.549
Base-Backbone interact. energy: -1.917
local terms energy: -166.811272
where:
bonds (distance) C4'-P energy: -35.445
bonds (distance) P-C4' energy: -38.151
flat angles C4'-P-C4' energy: -31.139
flat angles P-C4'-P energy: -20.085
tors. eta vs tors. theta energy: -41.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -583.022379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.022379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.022379 (E_RNA)
where:
Base-Base interactions energy: -396.707
where: short stacking energy: -187.039
Base-Backbone interact. energy: -0.477
local terms energy: -185.838393
where:
bonds (distance) C4'-P energy: -34.728
bonds (distance) P-C4' energy: -31.071
flat angles C4'-P-C4' energy: -34.309
flat angles P-C4'-P energy: -28.670
tors. eta vs tors. theta energy: -57.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -566.347425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.347425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.347425 (E_RNA)
where:
Base-Base interactions energy: -408.918
where: short stacking energy: -167.767
Base-Backbone interact. energy: -0.671
local terms energy: -156.758768
where:
bonds (distance) C4'-P energy: -33.969
bonds (distance) P-C4' energy: -29.869
flat angles C4'-P-C4' energy: -31.620
flat angles P-C4'-P energy: -20.764
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: 4, replica: 7
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -528.755427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.755427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.755427 (E_RNA)
where:
Base-Base interactions energy: -372.804
where: short stacking energy: -161.577
Base-Backbone interact. energy: -0.421
local terms energy: -155.530805
where:
bonds (distance) C4'-P energy: -31.556
bonds (distance) P-C4' energy: -30.791
flat angles C4'-P-C4' energy: -34.811
flat angles P-C4'-P energy: -18.470
tors. eta vs tors. theta energy: -39.905
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: 8
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -549.054159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.054159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.054159 (E_RNA)
where:
Base-Base interactions energy: -380.040
where: short stacking energy: -156.378
Base-Backbone interact. energy: -0.915
local terms energy: -168.099000
where:
bonds (distance) C4'-P energy: -30.815
bonds (distance) P-C4' energy: -33.390
flat angles C4'-P-C4' energy: -37.564
flat angles P-C4'-P energy: -22.953
tors. eta vs tors. theta energy: -43.377
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: 6
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -494.965030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.965030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.965030 (E_RNA)
where:
Base-Base interactions energy: -345.510
where: short stacking energy: -144.627
Base-Backbone interact. energy: -0.572
local terms energy: -148.883529
where:
bonds (distance) C4'-P energy: -36.419
bonds (distance) P-C4' energy: -31.106
flat angles C4'-P-C4' energy: -27.770
flat angles P-C4'-P energy: -19.806
tors. eta vs tors. theta energy: -33.782
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: 5
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -404.727633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.727633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.727633 (E_RNA)
where:
Base-Base interactions energy: -257.823
where: short stacking energy: -117.993
Base-Backbone interact. energy: 6.234
local terms energy: -153.138220
where:
bonds (distance) C4'-P energy: -28.850
bonds (distance) P-C4' energy: -34.279
flat angles C4'-P-C4' energy: -37.734
flat angles P-C4'-P energy: -23.660
tors. eta vs tors. theta energy: -28.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -348.745727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.745727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.745727 (E_RNA)
where:
Base-Base interactions energy: -224.122
where: short stacking energy: -104.848
Base-Backbone interact. energy: -0.054
local terms energy: -124.570263
where:
bonds (distance) C4'-P energy: -29.709
bonds (distance) P-C4' energy: -23.472
flat angles C4'-P-C4' energy: -35.465
flat angles P-C4'-P energy: -14.994
tors. eta vs tors. theta energy: -20.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -318.142717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.142717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.142717 (E_RNA)
where:
Base-Base interactions energy: -186.605
where: short stacking energy: -91.166
Base-Backbone interact. energy: -0.696
local terms energy: -130.842208
where:
bonds (distance) C4'-P energy: -29.094
bonds (distance) P-C4' energy: -33.719
flat angles C4'-P-C4' energy: -35.085
flat angles P-C4'-P energy: -13.540
tors. eta vs tors. theta energy: -19.405
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: 412
Temperature: 1.350000
Total energy: -152.361628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.361628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.361628 (E_RNA)
where:
Base-Base interactions energy: -60.626
where: short stacking energy: -49.409
Base-Backbone interact. energy: -0.513
local terms energy: -91.222536
where:
bonds (distance) C4'-P energy: -34.330
bonds (distance) P-C4' energy: -30.018
flat angles C4'-P-C4' energy: -26.439
flat angles P-C4'-P energy: -5.105
tors. eta vs tors. theta energy: 4.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -620.580823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.580823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.580823 (E_RNA)
where:
Base-Base interactions energy: -438.310
where: short stacking energy: -171.811
Base-Backbone interact. energy: -2.552
local terms energy: -179.718932
where:
bonds (distance) C4'-P energy: -39.340
bonds (distance) P-C4' energy: -29.420
flat angles C4'-P-C4' energy: -36.489
flat angles P-C4'-P energy: -27.458
tors. eta vs tors. theta energy: -47.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -586.514656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.514656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.514656 (E_RNA)
where:
Base-Base interactions energy: -404.650
where: short stacking energy: -176.804
Base-Backbone interact. energy: -1.414
local terms energy: -180.450649
where:
bonds (distance) C4'-P energy: -34.739
bonds (distance) P-C4' energy: -37.422
flat angles C4'-P-C4' energy: -36.121
flat angles P-C4'-P energy: -23.676
tors. eta vs tors. theta energy: -48.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -557.262081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.262081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.262081 (E_RNA)
where:
Base-Base interactions energy: -395.017
where: short stacking energy: -172.286
Base-Backbone interact. energy: -1.686
local terms energy: -160.559197
where:
bonds (distance) C4'-P energy: -29.136
bonds (distance) P-C4' energy: -30.947
flat angles C4'-P-C4' energy: -36.364
flat angles P-C4'-P energy: -22.855
tors. eta vs tors. theta energy: -41.257
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: 7
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -534.691197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.691197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.691197 (E_RNA)
where:
Base-Base interactions energy: -372.628
where: short stacking energy: -163.394
Base-Backbone interact. energy: -1.447
local terms energy: -160.616150
where:
bonds (distance) C4'-P energy: -39.427
bonds (distance) P-C4' energy: -33.392
flat angles C4'-P-C4' energy: -30.394
flat angles P-C4'-P energy: -19.217
tors. eta vs tors. theta energy: -38.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -532.154777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.154777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.154777 (E_RNA)
where:
Base-Base interactions energy: -369.892
where: short stacking energy: -145.967
Base-Backbone interact. energy: -0.965
local terms energy: -161.296967
where:
bonds (distance) C4'-P energy: -28.856
bonds (distance) P-C4' energy: -28.848
flat angles C4'-P-C4' energy: -36.271
flat angles P-C4'-P energy: -28.285
tors. eta vs tors. theta energy: -39.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -500.497322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.497322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.497322 (E_RNA)
where:
Base-Base interactions energy: -346.092
where: short stacking energy: -138.621
Base-Backbone interact. energy: -0.367
local terms energy: -154.038255
where:
bonds (distance) C4'-P energy: -35.453
bonds (distance) P-C4' energy: -31.295
flat angles C4'-P-C4' energy: -31.055
flat angles P-C4'-P energy: -18.432
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: 7, replica: 5
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -440.658859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.658859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.658859 (E_RNA)
where:
Base-Base interactions energy: -298.911
where: short stacking energy: -135.644
Base-Backbone interact. energy: -0.544
local terms energy: -141.203483
where:
bonds (distance) C4'-P energy: -21.424
bonds (distance) P-C4' energy: -34.718
flat angles C4'-P-C4' energy: -37.010
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -38.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -371.336636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.336636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.336636 (E_RNA)
where:
Base-Base interactions energy: -243.637
where: short stacking energy: -110.400
Base-Backbone interact. energy: 0.853
local terms energy: -128.552559
where:
bonds (distance) C4'-P energy: -20.835
bonds (distance) P-C4' energy: -31.632
flat angles C4'-P-C4' energy: -36.182
flat angles P-C4'-P energy: -17.716
tors. eta vs tors. theta energy: -22.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -327.849593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.849593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.849593 (E_RNA)
where:
Base-Base interactions energy: -218.246
where: short stacking energy: -105.639
Base-Backbone interact. energy: 1.151
local terms energy: -110.755278
where:
bonds (distance) C4'-P energy: -25.438
bonds (distance) P-C4' energy: -30.531
flat angles C4'-P-C4' energy: -23.157
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -18.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -152.517701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.517701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.517701 (E_RNA)
where:
Base-Base interactions energy: -63.507
where: short stacking energy: -46.051
Base-Backbone interact. energy: 0.514
local terms energy: -89.524531
where:
bonds (distance) C4'-P energy: -33.708
bonds (distance) P-C4' energy: -28.608
flat angles C4'-P-C4' energy: -19.463
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: 5.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -616.237684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.237684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.237684 (E_RNA)
where:
Base-Base interactions energy: -435.401
where: short stacking energy: -179.342
Base-Backbone interact. energy: -2.247
local terms energy: -178.589954
where:
bonds (distance) C4'-P energy: -33.296
bonds (distance) P-C4' energy: -32.475
flat angles C4'-P-C4' energy: -37.226
flat angles P-C4'-P energy: -27.224
tors. eta vs tors. theta energy: -48.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -590.511633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.511633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.511633 (E_RNA)
where:
Base-Base interactions energy: -403.962
where: short stacking energy: -175.063
Base-Backbone interact. energy: -1.675
local terms energy: -184.874331
where:
bonds (distance) C4'-P energy: -31.302
bonds (distance) P-C4' energy: -38.562
flat angles C4'-P-C4' energy: -36.026
flat angles P-C4'-P energy: -28.517
tors. eta vs tors. theta energy: -50.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -565.500331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.500331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.500331 (E_RNA)
where:
Base-Base interactions energy: -385.051
where: short stacking energy: -163.934
Base-Backbone interact. energy: 0.210
local terms energy: -180.659573
where:
bonds (distance) C4'-P energy: -36.463
bonds (distance) P-C4' energy: -37.018
flat angles C4'-P-C4' energy: -35.959
flat angles P-C4'-P energy: -24.519
tors. eta vs tors. theta energy: -46.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -570.555873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.555873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.555873 (E_RNA)
where:
Base-Base interactions energy: -401.663
where: short stacking energy: -179.039
Base-Backbone interact. energy: 0.607
local terms energy: -169.499768
where:
bonds (distance) C4'-P energy: -32.434
bonds (distance) P-C4' energy: -29.950
flat angles C4'-P-C4' energy: -34.557
flat angles P-C4'-P energy: -17.721
tors. eta vs tors. theta energy: -54.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -516.018120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.018120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.018120 (E_RNA)
where:
Base-Base interactions energy: -361.654
where: short stacking energy: -154.404
Base-Backbone interact. energy: 4.212
local terms energy: -158.575935
where:
bonds (distance) C4'-P energy: -26.419
bonds (distance) P-C4' energy: -33.421
flat angles C4'-P-C4' energy: -33.488
flat angles P-C4'-P energy: -23.995
tors. eta vs tors. theta energy: -41.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -492.042112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.042112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.042112 (E_RNA)
where:
Base-Base interactions energy: -346.394
where: short stacking energy: -131.086
Base-Backbone interact. energy: -0.792
local terms energy: -144.856829
where:
bonds (distance) C4'-P energy: -30.508
bonds (distance) P-C4' energy: -27.934
flat angles C4'-P-C4' energy: -31.136
flat angles P-C4'-P energy: -20.456
tors. eta vs tors. theta energy: -34.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -419.626189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.626189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.626189 (E_RNA)
where:
Base-Base interactions energy: -275.815
where: short stacking energy: -121.226
Base-Backbone interact. energy: -0.169
local terms energy: -143.642301
where:
bonds (distance) C4'-P energy: -32.130
bonds (distance) P-C4' energy: -28.558
flat angles C4'-P-C4' energy: -37.088
flat angles P-C4'-P energy: -21.626
tors. eta vs tors. theta energy: -24.240
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: 8, replica: 10
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -388.304527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.304527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.304527 (E_RNA)
where:
Base-Base interactions energy: -270.314
where: short stacking energy: -109.428
Base-Backbone interact. energy: -1.273
local terms energy: -116.717336
where:
bonds (distance) C4'-P energy: -21.154
bonds (distance) P-C4' energy: -32.652
flat angles C4'-P-C4' energy: -31.133
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: -17.922
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: 4
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -348.756606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.756606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.756606 (E_RNA)
where:
Base-Base interactions energy: -226.169
where: short stacking energy: -101.472
Base-Backbone interact. energy: -0.410
local terms energy: -122.178071
where:
bonds (distance) C4'-P energy: -25.486
bonds (distance) P-C4' energy: -33.078
flat angles C4'-P-C4' energy: -25.514
flat angles P-C4'-P energy: -17.674
tors. eta vs tors. theta energy: -20.426
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: 3
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -173.577922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.577922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.577922 (E_RNA)
where:
Base-Base interactions energy: -63.969
where: short stacking energy: -44.604
Base-Backbone interact. energy: -0.659
local terms energy: -108.949406
where:
bonds (distance) C4'-P energy: -29.684
bonds (distance) P-C4' energy: -27.261
flat angles C4'-P-C4' energy: -28.299
flat angles P-C4'-P energy: -20.883
tors. eta vs tors. theta energy: -2.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -617.000154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.000154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.000154 (E_RNA)
where:
Base-Base interactions energy: -440.082
where: short stacking energy: -173.350
Base-Backbone interact. energy: -1.343
local terms energy: -175.575350
where:
bonds (distance) C4'-P energy: -38.485
bonds (distance) P-C4' energy: -37.191
flat angles C4'-P-C4' energy: -38.229
flat angles P-C4'-P energy: -17.096
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: 2, replica: 1
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -583.480034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.480034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.480034 (E_RNA)
where:
Base-Base interactions energy: -400.089
where: short stacking energy: -175.172
Base-Backbone interact. energy: 0.660
local terms energy: -184.051157
where:
bonds (distance) C4'-P energy: -34.928
bonds (distance) P-C4' energy: -40.084
flat angles C4'-P-C4' energy: -39.897
flat angles P-C4'-P energy: -21.483
tors. eta vs tors. theta energy: -47.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -558.793424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.793424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.793424 (E_RNA)
where:
Base-Base interactions energy: -378.720
where: short stacking energy: -147.527
Base-Backbone interact. energy: -1.502
local terms energy: -178.571041
where:
bonds (distance) C4'-P energy: -30.424
bonds (distance) P-C4' energy: -39.977
flat angles C4'-P-C4' energy: -38.863
flat angles P-C4'-P energy: -24.130
tors. eta vs tors. theta energy: -45.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -565.410691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.410691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.410691 (E_RNA)
where:
Base-Base interactions energy: -389.780
where: short stacking energy: -174.532
Base-Backbone interact. energy: -0.062
local terms energy: -175.568371
where:
bonds (distance) C4'-P energy: -36.452
bonds (distance) P-C4' energy: -24.004
flat angles C4'-P-C4' energy: -38.686
flat angles P-C4'-P energy: -23.484
tors. eta vs tors. theta energy: -52.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -530.741459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.741459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.741459 (E_RNA)
where:
Base-Base interactions energy: -361.666
where: short stacking energy: -153.544
Base-Backbone interact. energy: 0.888
local terms energy: -169.963820
where:
bonds (distance) C4'-P energy: -33.500
bonds (distance) P-C4' energy: -29.846
flat angles C4'-P-C4' energy: -33.208
flat angles P-C4'-P energy: -29.620
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: 6, replica: 6
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -509.379281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.379281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.379281 (E_RNA)
where:
Base-Base interactions energy: -350.884
where: short stacking energy: -139.470
Base-Backbone interact. energy: -1.018
local terms energy: -157.477153
where:
bonds (distance) C4'-P energy: -25.969
bonds (distance) P-C4' energy: -37.220
flat angles C4'-P-C4' energy: -33.380
flat angles P-C4'-P energy: -18.668
tors. eta vs tors. theta energy: -42.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -439.089589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.089589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.089589 (E_RNA)
where:
Base-Base interactions energy: -302.532
where: short stacking energy: -141.162
Base-Backbone interact. energy: 1.927
local terms energy: -138.485259
where:
bonds (distance) C4'-P energy: -29.119
bonds (distance) P-C4' energy: -27.093
flat angles C4'-P-C4' energy: -34.324
flat angles P-C4'-P energy: -18.557
tors. eta vs tors. theta energy: -29.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -363.060200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.060200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.060200 (E_RNA)
where:
Base-Base interactions energy: -229.478
where: short stacking energy: -114.515
Base-Backbone interact. energy: -0.976
local terms energy: -132.606154
where:
bonds (distance) C4'-P energy: -15.003
bonds (distance) P-C4' energy: -29.299
flat angles C4'-P-C4' energy: -38.211
flat angles P-C4'-P energy: -24.269
tors. eta vs tors. theta energy: -25.824
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: 9, replica: 10
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -353.611461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.611461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.611461 (E_RNA)
where:
Base-Base interactions energy: -231.596
where: short stacking energy: -101.474
Base-Backbone interact. energy: -0.656
local terms energy: -121.359468
where:
bonds (distance) C4'-P energy: -25.916
bonds (distance) P-C4' energy: -31.739
flat angles C4'-P-C4' energy: -31.080
flat angles P-C4'-P energy: -15.639
tors. eta vs tors. theta energy: -16.985
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: 10, replica: 3
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -169.432132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.432132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.432132 (E_RNA)
where:
Base-Base interactions energy: -67.506
where: short stacking energy: -61.379
Base-Backbone interact. energy: -0.301
local terms energy: -101.625303
where:
bonds (distance) C4'-P energy: -29.041
bonds (distance) P-C4' energy: -32.774
flat angles C4'-P-C4' energy: -23.106
flat angles P-C4'-P energy: -16.122
tors. eta vs tors. theta energy: -0.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -613.916500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.916500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.916500 (E_RNA)
where:
Base-Base interactions energy: -434.855
where: short stacking energy: -169.295
Base-Backbone interact. energy: -1.662
local terms energy: -177.399397
where:
bonds (distance) C4'-P energy: -30.756
bonds (distance) P-C4' energy: -36.388
flat angles C4'-P-C4' energy: -37.259
flat angles P-C4'-P energy: -25.941
tors. eta vs tors. theta energy: -47.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -596.896379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.896379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.896379 (E_RNA)
where:
Base-Base interactions energy: -424.833
where: short stacking energy: -169.926
Base-Backbone interact. energy: -1.504
local terms energy: -170.559252
where:
bonds (distance) C4'-P energy: -29.580
bonds (distance) P-C4' energy: -35.017
flat angles C4'-P-C4' energy: -31.121
flat angles P-C4'-P energy: -31.509
tors. eta vs tors. theta energy: -43.331
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: 3, replica: 9
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -578.232842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.232842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.232842 (E_RNA)
where:
Base-Base interactions energy: -393.441
where: short stacking energy: -181.652
Base-Backbone interact. energy: -1.055
local terms energy: -183.737082
where:
bonds (distance) C4'-P energy: -31.385
bonds (distance) P-C4' energy: -32.887
flat angles C4'-P-C4' energy: -40.689
flat angles P-C4'-P energy: -24.370
tors. eta vs tors. theta energy: -54.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -541.025970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.025970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.025970 (E_RNA)
where:
Base-Base interactions energy: -368.692
where: short stacking energy: -163.254
Base-Backbone interact. energy: 2.307
local terms energy: -174.641201
where:
bonds (distance) C4'-P energy: -32.811
bonds (distance) P-C4' energy: -33.383
flat angles C4'-P-C4' energy: -40.763
flat angles P-C4'-P energy: -26.255
tors. eta vs tors. theta energy: -41.429
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: 5, replica: 6
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -513.737581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.737581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.737581 (E_RNA)
where:
Base-Base interactions energy: -359.402
where: short stacking energy: -159.185
Base-Backbone interact. energy: -0.488
local terms energy: -153.848203
where:
bonds (distance) C4'-P energy: -27.228
bonds (distance) P-C4' energy: -30.844
flat angles C4'-P-C4' energy: -29.358
flat angles P-C4'-P energy: -23.202
tors. eta vs tors. theta energy: -43.215
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: 6, replica: 8
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -518.371021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.371021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.371021 (E_RNA)
where:
Base-Base interactions energy: -370.326
where: short stacking energy: -142.073
Base-Backbone interact. energy: -1.721
local terms energy: -146.324567
where:
bonds (distance) C4'-P energy: -33.650
bonds (distance) P-C4' energy: -26.446
flat angles C4'-P-C4' energy: -32.056
flat angles P-C4'-P energy: -19.482
tors. eta vs tors. theta energy: -34.691
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: 5
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -454.046416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.046416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.046416 (E_RNA)
where:
Base-Base interactions energy: -301.065
where: short stacking energy: -142.003
Base-Backbone interact. energy: -0.170
local terms energy: -152.811408
where:
bonds (distance) C4'-P energy: -29.223
bonds (distance) P-C4' energy: -35.089
flat angles C4'-P-C4' energy: -34.142
flat angles P-C4'-P energy: -19.235
tors. eta vs tors. theta energy: -35.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -360.782621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.782621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.782621 (E_RNA)
where:
Base-Base interactions energy: -223.289
where: short stacking energy: -108.193
Base-Backbone interact. energy: -0.542
local terms energy: -136.952164
where:
bonds (distance) C4'-P energy: -27.989
bonds (distance) P-C4' energy: -35.400
flat angles C4'-P-C4' energy: -28.900
flat angles P-C4'-P energy: -18.105
tors. eta vs tors. theta energy: -26.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -346.136144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.136144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.136144 (E_RNA)
where:
Base-Base interactions energy: -227.394
where: short stacking energy: -101.116
Base-Backbone interact. energy: -0.986
local terms energy: -117.756496
where:
bonds (distance) C4'-P energy: -35.692
bonds (distance) P-C4' energy: -19.698
flat angles C4'-P-C4' energy: -30.887
flat angles P-C4'-P energy: -14.055
tors. eta vs tors. theta energy: -17.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -156.325300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.325300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.325300 (E_RNA)
where:
Base-Base interactions energy: -52.699
where: short stacking energy: -44.831
Base-Backbone interact. energy: 0.197
local terms energy: -103.823080
where:
bonds (distance) C4'-P energy: -30.544
bonds (distance) P-C4' energy: -30.162
flat angles C4'-P-C4' energy: -23.258
flat angles P-C4'-P energy: -20.127
tors. eta vs tors. theta energy: 0.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -620.997662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.997662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.997662 (E_RNA)
where:
Base-Base interactions energy: -434.887
where: short stacking energy: -177.033
Base-Backbone interact. energy: -1.907
local terms energy: -184.203661
where:
bonds (distance) C4'-P energy: -33.176
bonds (distance) P-C4' energy: -38.257
flat angles C4'-P-C4' energy: -39.721
flat angles P-C4'-P energy: -23.472
tors. eta vs tors. theta energy: -49.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -594.479390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.479390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.479390 (E_RNA)
where:
Base-Base interactions energy: -418.621
where: short stacking energy: -175.872
Base-Backbone interact. energy: -1.139
local terms energy: -174.720077
where:
bonds (distance) C4'-P energy: -27.154
bonds (distance) P-C4' energy: -34.957
flat angles C4'-P-C4' energy: -37.741
flat angles P-C4'-P energy: -28.527
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: 3, replica: 9
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -583.383578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.383578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.383578 (E_RNA)
where:
Base-Base interactions energy: -407.360
where: short stacking energy: -180.924
Base-Backbone interact. energy: -0.532
local terms energy: -175.491674
where:
bonds (distance) C4'-P energy: -26.501
bonds (distance) P-C4' energy: -34.005
flat angles C4'-P-C4' energy: -35.417
flat angles P-C4'-P energy: -28.843
tors. eta vs tors. theta energy: -50.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -554.763283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.763283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.763283 (E_RNA)
where:
Base-Base interactions energy: -378.763
where: short stacking energy: -163.887
Base-Backbone interact. energy: 0.691
local terms energy: -176.691372
where:
bonds (distance) C4'-P energy: -30.111
bonds (distance) P-C4' energy: -36.479
flat angles C4'-P-C4' energy: -38.244
flat angles P-C4'-P energy: -25.318
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: 5, replica: 7
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -519.477008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.477008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.477008 (E_RNA)
where:
Base-Base interactions energy: -367.187
where: short stacking energy: -151.016
Base-Backbone interact. energy: 0.450
local terms energy: -152.740169
where:
bonds (distance) C4'-P energy: -32.596
bonds (distance) P-C4' energy: -29.235
flat angles C4'-P-C4' energy: -32.329
flat angles P-C4'-P energy: -21.887
tors. eta vs tors. theta energy: -36.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -523.908662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.908662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.908662 (E_RNA)
where:
Base-Base interactions energy: -359.839
where: short stacking energy: -154.952
Base-Backbone interact. energy: -1.091
local terms energy: -162.978021
where:
bonds (distance) C4'-P energy: -29.598
bonds (distance) P-C4' energy: -35.043
flat angles C4'-P-C4' energy: -39.114
flat angles P-C4'-P energy: -16.859
tors. eta vs tors. theta energy: -42.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -458.642648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.642648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.642648 (E_RNA)
where:
Base-Base interactions energy: -313.522
where: short stacking energy: -130.435
Base-Backbone interact. energy: -1.153
local terms energy: -143.967201
where:
bonds (distance) C4'-P energy: -35.186
bonds (distance) P-C4' energy: -24.755
flat angles C4'-P-C4' energy: -35.100
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: -34.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -355.123351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.123351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.123351 (E_RNA)
where:
Base-Base interactions energy: -230.517
where: short stacking energy: -102.585
Base-Backbone interact. energy: -0.893
local terms energy: -123.712871
where:
bonds (distance) C4'-P energy: -22.993
bonds (distance) P-C4' energy: -27.967
flat angles C4'-P-C4' energy: -32.199
flat angles P-C4'-P energy: -18.334
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: 9, replica: 4
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -344.736755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.736755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.736755 (E_RNA)
where:
Base-Base interactions energy: -219.442
where: short stacking energy: -112.730
Base-Backbone interact. energy: -0.360
local terms energy: -124.935077
where:
bonds (distance) C4'-P energy: -32.755
bonds (distance) P-C4' energy: -28.283
flat angles C4'-P-C4' energy: -23.291
flat angles P-C4'-P energy: -18.734
tors. eta vs tors. theta energy: -21.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -158.893900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.893900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.893900 (E_RNA)
where:
Base-Base interactions energy: -61.549
where: short stacking energy: -55.233
Base-Backbone interact. energy: -0.404
local terms energy: -96.940857
where:
bonds (distance) C4'-P energy: -24.927
bonds (distance) P-C4' energy: -31.510
flat angles C4'-P-C4' energy: -25.351
flat angles P-C4'-P energy: -16.938
tors. eta vs tors. theta energy: 1.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -605.710714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.710714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.710714 (E_RNA)
where:
Base-Base interactions energy: -427.921
where: short stacking energy: -185.085
Base-Backbone interact. energy: 0.756
local terms energy: -178.545911
where:
bonds (distance) C4'-P energy: -30.085
bonds (distance) P-C4' energy: -32.560
flat angles C4'-P-C4' energy: -39.113
flat angles P-C4'-P energy: -27.463
tors. eta vs tors. theta energy: -49.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -614.348211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.348211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.348211 (E_RNA)
where:
Base-Base interactions energy: -439.710
where: short stacking energy: -183.912
Base-Backbone interact. energy: -1.258
local terms energy: -173.380683
where:
bonds (distance) C4'-P energy: -32.628
bonds (distance) P-C4' energy: -35.214
flat angles C4'-P-C4' energy: -39.672
flat angles P-C4'-P energy: -22.303
tors. eta vs tors. theta energy: -43.564
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: 9
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -577.988155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.988155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.988155 (E_RNA)
where:
Base-Base interactions energy: -395.028
where: short stacking energy: -166.699
Base-Backbone interact. energy: -0.019
local terms energy: -182.940772
where:
bonds (distance) C4'-P energy: -32.280
bonds (distance) P-C4' energy: -35.974
flat angles C4'-P-C4' energy: -37.962
flat angles P-C4'-P energy: -22.468
tors. eta vs tors. theta energy: -54.257
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: 418
Temperature: 1.050000
Total energy: -532.440887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.440887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.440887 (E_RNA)
where:
Base-Base interactions energy: -369.389
where: short stacking energy: -158.576
Base-Backbone interact. energy: -1.470
local terms energy: -161.582032
where:
bonds (distance) C4'-P energy: -28.329
bonds (distance) P-C4' energy: -24.470
flat angles C4'-P-C4' energy: -35.255
flat angles P-C4'-P energy: -29.660
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: 5, replica: 8
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -545.289470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.289470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.289470 (E_RNA)
where:
Base-Base interactions energy: -383.605
where: short stacking energy: -154.928
Base-Backbone interact. energy: 0.328
local terms energy: -162.012180
where:
bonds (distance) C4'-P energy: -30.444
bonds (distance) P-C4' energy: -29.931
flat angles C4'-P-C4' energy: -37.356
flat angles P-C4'-P energy: -21.011
tors. eta vs tors. theta energy: -43.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -517.275609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.275609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.275609 (E_RNA)
where:
Base-Base interactions energy: -359.968
where: short stacking energy: -151.877
Base-Backbone interact. energy: -0.123
local terms energy: -157.184348
where:
bonds (distance) C4'-P energy: -19.946
bonds (distance) P-C4' energy: -26.599
flat angles C4'-P-C4' energy: -41.593
flat angles P-C4'-P energy: -20.417
tors. eta vs tors. theta energy: -48.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -448.336457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.336457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.336457 (E_RNA)
where:
Base-Base interactions energy: -300.705
where: short stacking energy: -125.130
Base-Backbone interact. energy: -0.250
local terms energy: -147.381639
where:
bonds (distance) C4'-P energy: -25.958
bonds (distance) P-C4' energy: -27.147
flat angles C4'-P-C4' energy: -33.247
flat angles P-C4'-P energy: -25.296
tors. eta vs tors. theta energy: -35.734
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: 10
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -377.296872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.296872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.296872 (E_RNA)
where:
Base-Base interactions energy: -240.769
where: short stacking energy: -95.156
Base-Backbone interact. energy: 0.677
local terms energy: -137.204140
where:
bonds (distance) C4'-P energy: -32.490
bonds (distance) P-C4' energy: -35.220
flat angles C4'-P-C4' energy: -32.989
flat angles P-C4'-P energy: -21.088
tors. eta vs tors. theta energy: -15.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -324.477421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.477421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.477421 (E_RNA)
where:
Base-Base interactions energy: -204.285
where: short stacking energy: -97.923
Base-Backbone interact. energy: 1.837
local terms energy: -122.028900
where:
bonds (distance) C4'-P energy: -28.105
bonds (distance) P-C4' energy: -25.114
flat angles C4'-P-C4' energy: -31.026
flat angles P-C4'-P energy: -20.292
tors. eta vs tors. theta energy: -17.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -176.853227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.853227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.853227 (E_RNA)
where:
Base-Base interactions energy: -84.641
where: short stacking energy: -78.812
Base-Backbone interact. energy: 0.608
local terms energy: -92.820609
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -22.563
flat angles C4'-P-C4' energy: -22.480
flat angles P-C4'-P energy: -24.031
tors. eta vs tors. theta energy: -11.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -591.984771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.984771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.984771 (E_RNA)
where:
Base-Base interactions energy: -405.915
where: short stacking energy: -177.188
Base-Backbone interact. energy: 0.582
local terms energy: -186.651781
where:
bonds (distance) C4'-P energy: -34.925
bonds (distance) P-C4' energy: -34.228
flat angles C4'-P-C4' energy: -40.857
flat angles P-C4'-P energy: -30.063
tors. eta vs tors. theta energy: -46.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -595.773262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.773262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.773262 (E_RNA)
where:
Base-Base interactions energy: -425.515
where: short stacking energy: -168.491
Base-Backbone interact. energy: -1.276
local terms energy: -168.982707
where:
bonds (distance) C4'-P energy: -36.452
bonds (distance) P-C4' energy: -34.520
flat angles C4'-P-C4' energy: -35.370
flat angles P-C4'-P energy: -19.901
tors. eta vs tors. theta energy: -42.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -573.583617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.583617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.583617 (E_RNA)
where:
Base-Base interactions energy: -400.681
where: short stacking energy: -178.113
Base-Backbone interact. energy: -0.118
local terms energy: -172.784393
where:
bonds (distance) C4'-P energy: -30.870
bonds (distance) P-C4' energy: -27.559
flat angles C4'-P-C4' energy: -38.445
flat angles P-C4'-P energy: -23.713
tors. eta vs tors. theta energy: -52.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -576.788407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.788407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.788407 (E_RNA)
where:
Base-Base interactions energy: -406.977
where: short stacking energy: -167.487
Base-Backbone interact. energy: -0.691
local terms energy: -169.119865
where:
bonds (distance) C4'-P energy: -27.856
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -30.820
flat angles P-C4'-P energy: -30.164
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: 5, replica: 6
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -532.267942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.267942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.267942 (E_RNA)
where:
Base-Base interactions energy: -368.728
where: short stacking energy: -160.626
Base-Backbone interact. energy: -1.271
local terms energy: -162.269743
where:
bonds (distance) C4'-P energy: -27.147
bonds (distance) P-C4' energy: -33.602
flat angles C4'-P-C4' energy: -39.710
flat angles P-C4'-P energy: -18.501
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: 7
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -498.254959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.254959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.254959 (E_RNA)
where:
Base-Base interactions energy: -333.806
where: short stacking energy: -147.393
Base-Backbone interact. energy: -1.189
local terms energy: -163.260356
where:
bonds (distance) C4'-P energy: -32.353
bonds (distance) P-C4' energy: -26.275
flat angles C4'-P-C4' energy: -37.138
flat angles P-C4'-P energy: -26.078
tors. eta vs tors. theta energy: -41.417
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: 7, replica: 5
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -441.687967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.687967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.687967 (E_RNA)
where:
Base-Base interactions energy: -293.416
where: short stacking energy: -114.090
Base-Backbone interact. energy: -0.267
local terms energy: -148.005329
where:
bonds (distance) C4'-P energy: -34.080
bonds (distance) P-C4' energy: -26.902
flat angles C4'-P-C4' energy: -37.161
flat angles P-C4'-P energy: -19.635
tors. eta vs tors. theta energy: -30.227
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: 10
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -374.566214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.566214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.566214 (E_RNA)
where:
Base-Base interactions energy: -242.069
where: short stacking energy: -105.229
Base-Backbone interact. energy: -1.137
local terms energy: -131.360632
where:
bonds (distance) C4'-P energy: -30.737
bonds (distance) P-C4' energy: -25.903
flat angles C4'-P-C4' energy: -35.196
flat angles P-C4'-P energy: -24.267
tors. eta vs tors. theta energy: -15.257
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: 9, replica: 4
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -322.645089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.645089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.645089 (E_RNA)
where:
Base-Base interactions energy: -204.896
where: short stacking energy: -107.397
Base-Backbone interact. energy: 0.021
local terms energy: -117.769729
where:
bonds (distance) C4'-P energy: -20.327
bonds (distance) P-C4' energy: -20.742
flat angles C4'-P-C4' energy: -35.808
flat angles P-C4'-P energy: -19.424
tors. eta vs tors. theta energy: -21.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -173.551110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.551110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.551110 (E_RNA)
where:
Base-Base interactions energy: -70.556
where: short stacking energy: -50.989
Base-Backbone interact. energy: -0.476
local terms energy: -102.519539
where:
bonds (distance) C4'-P energy: -21.614
bonds (distance) P-C4' energy: -27.753
flat angles C4'-P-C4' energy: -30.817
flat angles P-C4'-P energy: -20.923
tors. eta vs tors. theta energy: -1.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -631.029732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.029732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.029732 (E_RNA)
where:
Base-Base interactions energy: -448.924
where: short stacking energy: -184.017
Base-Backbone interact. energy: -2.621
local terms energy: -179.485228
where:
bonds (distance) C4'-P energy: -35.448
bonds (distance) P-C4' energy: -36.893
flat angles C4'-P-C4' energy: -33.245
flat angles P-C4'-P energy: -22.262
tors. eta vs tors. theta energy: -51.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -593.220225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.220225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.220225 (E_RNA)
where:
Base-Base interactions energy: -409.945
where: short stacking energy: -169.819
Base-Backbone interact. energy: -0.669
local terms energy: -182.606256
where:
bonds (distance) C4'-P energy: -38.944
bonds (distance) P-C4' energy: -33.019
flat angles C4'-P-C4' energy: -36.076
flat angles P-C4'-P energy: -29.195
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: 3, replica: 9
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -579.743401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.743401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.743401 (E_RNA)
where:
Base-Base interactions energy: -392.792
where: short stacking energy: -188.617
Base-Backbone interact. energy: -0.163
local terms energy: -186.788750
where:
bonds (distance) C4'-P energy: -35.490
bonds (distance) P-C4' energy: -33.620
flat angles C4'-P-C4' energy: -37.726
flat angles P-C4'-P energy: -27.404
tors. eta vs tors. theta energy: -52.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -554.005868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.005868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.005868 (E_RNA)
where:
Base-Base interactions energy: -394.873
where: short stacking energy: -161.704
Base-Backbone interact. energy: -0.690
local terms energy: -158.442966
where:
bonds (distance) C4'-P energy: -25.909
bonds (distance) P-C4' energy: -37.032
flat angles C4'-P-C4' energy: -40.849
flat angles P-C4'-P energy: -18.734
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: 5, replica: 7
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -523.766711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.766711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.766711 (E_RNA)
where:
Base-Base interactions energy: -371.891
where: short stacking energy: -154.531
Base-Backbone interact. energy: -1.099
local terms energy: -150.776995
where:
bonds (distance) C4'-P energy: -28.648
bonds (distance) P-C4' energy: -28.407
flat angles C4'-P-C4' energy: -35.483
flat angles P-C4'-P energy: -21.852
tors. eta vs tors. theta energy: -36.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -505.442142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.442142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.442142 (E_RNA)
where:
Base-Base interactions energy: -348.153
where: short stacking energy: -155.343
Base-Backbone interact. energy: -0.253
local terms energy: -157.035861
where:
bonds (distance) C4'-P energy: -29.036
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -30.051
flat angles P-C4'-P energy: -25.441
tors. eta vs tors. theta energy: -42.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -420.305665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.305665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.305665 (E_RNA)
where:
Base-Base interactions energy: -278.113
where: short stacking energy: -116.250
Base-Backbone interact. energy: -0.584
local terms energy: -141.609187
where:
bonds (distance) C4'-P energy: -30.172
bonds (distance) P-C4' energy: -32.350
flat angles C4'-P-C4' energy: -34.320
flat angles P-C4'-P energy: -19.565
tors. eta vs tors. theta energy: -25.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -359.911782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.911782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.911782 (E_RNA)
where:
Base-Base interactions energy: -227.484
where: short stacking energy: -106.975
Base-Backbone interact. energy: -2.327
local terms energy: -130.100532
where:
bonds (distance) C4'-P energy: -30.045
bonds (distance) P-C4' energy: -26.820
flat angles C4'-P-C4' energy: -22.777
flat angles P-C4'-P energy: -24.874
tors. eta vs tors. theta energy: -25.584
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: 4
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -340.940052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.940052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.940052 (E_RNA)
where:
Base-Base interactions energy: -228.338
where: short stacking energy: -106.662
Base-Backbone interact. energy: -0.243
local terms energy: -112.359372
where:
bonds (distance) C4'-P energy: -28.184
bonds (distance) P-C4' energy: -29.203
flat angles C4'-P-C4' energy: -18.929
flat angles P-C4'-P energy: -18.907
tors. eta vs tors. theta energy: -17.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -154.865753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.865753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.865753 (E_RNA)
where:
Base-Base interactions energy: -56.371
where: short stacking energy: -55.729
Base-Backbone interact. energy: -0.444
local terms energy: -98.051228
where:
bonds (distance) C4'-P energy: -27.672
bonds (distance) P-C4' energy: -34.579
flat angles C4'-P-C4' energy: -24.482
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: 1.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -624.248675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.248675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.248675 (E_RNA)
where:
Base-Base interactions energy: -451.316
where: short stacking energy: -174.617
Base-Backbone interact. energy: -1.545
local terms energy: -171.387784
where:
bonds (distance) C4'-P energy: -36.915
bonds (distance) P-C4' energy: -26.364
flat angles C4'-P-C4' energy: -37.612
flat angles P-C4'-P energy: -25.182
tors. eta vs tors. theta energy: -45.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -584.465303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.465303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.465303 (E_RNA)
where:
Base-Base interactions energy: -421.061
where: short stacking energy: -176.520
Base-Backbone interact. energy: 0.828
local terms energy: -164.232252
where:
bonds (distance) C4'-P energy: -26.418
bonds (distance) P-C4' energy: -34.007
flat angles C4'-P-C4' energy: -32.681
flat angles P-C4'-P energy: -26.577
tors. eta vs tors. theta energy: -44.548
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: 9
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -575.741817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.741817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.741817 (E_RNA)
where:
Base-Base interactions energy: -387.228
where: short stacking energy: -176.173
Base-Backbone interact. energy: -1.068
local terms energy: -187.444998
where:
bonds (distance) C4'-P energy: -31.508
bonds (distance) P-C4' energy: -28.605
flat angles C4'-P-C4' energy: -38.220
flat angles P-C4'-P energy: -33.127
tors. eta vs tors. theta energy: -55.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -567.247362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.247362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.247362 (E_RNA)
where:
Base-Base interactions energy: -394.540
where: short stacking energy: -171.678
Base-Backbone interact. energy: -1.572
local terms energy: -171.135559
where:
bonds (distance) C4'-P energy: -34.042
bonds (distance) P-C4' energy: -29.344
flat angles C4'-P-C4' energy: -35.296
flat angles P-C4'-P energy: -25.447
tors. eta vs tors. theta energy: -47.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -513.899059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.899059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.899059 (E_RNA)
where:
Base-Base interactions energy: -362.774
where: short stacking energy: -149.680
Base-Backbone interact. energy: -0.607
local terms energy: -150.517889
where:
bonds (distance) C4'-P energy: -27.255
bonds (distance) P-C4' energy: -30.218
flat angles C4'-P-C4' energy: -30.916
flat angles P-C4'-P energy: -24.213
tors. eta vs tors. theta energy: -37.916
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: 421
Temperature: 1.150000
Total energy: -476.774159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.774159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.774159 (E_RNA)
where:
Base-Base interactions energy: -333.461
where: short stacking energy: -134.145
Base-Backbone interact. energy: 1.817
local terms energy: -145.130718
where:
bonds (distance) C4'-P energy: -22.733
bonds (distance) P-C4' energy: -28.856
flat angles C4'-P-C4' energy: -33.794
flat angles P-C4'-P energy: -26.460
tors. eta vs tors. theta energy: -33.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -411.779397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.779397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.779397 (E_RNA)
where:
Base-Base interactions energy: -276.072
where: short stacking energy: -125.039
Base-Backbone interact. energy: -0.528
local terms energy: -135.179369
where:
bonds (distance) C4'-P energy: -23.250
bonds (distance) P-C4' energy: -29.063
flat angles C4'-P-C4' energy: -25.759
flat angles P-C4'-P energy: -30.106
tors. eta vs tors. theta energy: -27.001
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: 421
Temperature: 1.250000
Total energy: -364.465961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.465961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.465961 (E_RNA)
where:
Base-Base interactions energy: -229.481
where: short stacking energy: -123.771
Base-Backbone interact. energy: -0.905
local terms energy: -134.080665
where:
bonds (distance) C4'-P energy: -26.059
bonds (distance) P-C4' energy: -31.632
flat angles C4'-P-C4' energy: -32.937
flat angles P-C4'-P energy: -18.935
tors. eta vs tors. theta energy: -24.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -358.945076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.945076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.945076 (E_RNA)
where:
Base-Base interactions energy: -229.577
where: short stacking energy: -108.972
Base-Backbone interact. energy: -0.275
local terms energy: -129.093055
where:
bonds (distance) C4'-P energy: -25.421
bonds (distance) P-C4' energy: -34.967
flat angles C4'-P-C4' energy: -26.467
flat angles P-C4'-P energy: -13.275
tors. eta vs tors. theta energy: -28.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -171.337223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.337223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.337223 (E_RNA)
where:
Base-Base interactions energy: -61.007
where: short stacking energy: -42.428
Base-Backbone interact. energy: -0.408
local terms energy: -109.922654
where:
bonds (distance) C4'-P energy: -30.574
bonds (distance) P-C4' energy: -32.037
flat angles C4'-P-C4' energy: -25.063
flat angles P-C4'-P energy: -19.970
tors. eta vs tors. theta energy: -2.278
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: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -615.190244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.190244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.190244 (E_RNA)
where:
Base-Base interactions energy: -442.763
where: short stacking energy: -170.637
Base-Backbone interact. energy: -1.016
local terms energy: -171.411453
where:
bonds (distance) C4'-P energy: -33.922
bonds (distance) P-C4' energy: -34.311
flat angles C4'-P-C4' energy: -34.802
flat angles P-C4'-P energy: -21.275
tors. eta vs tors. theta energy: -47.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -588.555194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.555194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.555194 (E_RNA)
where:
Base-Base interactions energy: -417.717
where: short stacking energy: -156.764
Base-Backbone interact. energy: -1.912
local terms energy: -168.925995
where:
bonds (distance) C4'-P energy: -34.076
bonds (distance) P-C4' energy: -36.745
flat angles C4'-P-C4' energy: -32.689
flat angles P-C4'-P energy: -23.149
tors. eta vs tors. theta energy: -42.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -573.950957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.950957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.950957 (E_RNA)
where:
Base-Base interactions energy: -399.086
where: short stacking energy: -172.901
Base-Backbone interact. energy: 0.995
local terms energy: -175.860150
where:
bonds (distance) C4'-P energy: -33.992
bonds (distance) P-C4' energy: -34.722
flat angles C4'-P-C4' energy: -32.359
flat angles P-C4'-P energy: -27.789
tors. eta vs tors. theta energy: -46.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -575.710303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.710303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.710303 (E_RNA)
where:
Base-Base interactions energy: -391.326
where: short stacking energy: -178.711
Base-Backbone interact. energy: -0.013
local terms energy: -184.371689
where:
bonds (distance) C4'-P energy: -34.533
bonds (distance) P-C4' energy: -39.020
flat angles C4'-P-C4' energy: -38.273
flat angles P-C4'-P energy: -19.061
tors. eta vs tors. theta energy: -53.485
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: 6
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -524.923261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.923261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.923261 (E_RNA)
where:
Base-Base interactions energy: -356.555
where: short stacking energy: -164.234
Base-Backbone interact. energy: -0.087
local terms energy: -168.281469
where:
bonds (distance) C4'-P energy: -34.427
bonds (distance) P-C4' energy: -35.258
flat angles C4'-P-C4' energy: -35.723
flat angles P-C4'-P energy: -25.188
tors. eta vs tors. theta energy: -37.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -491.228390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.228390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.228390 (E_RNA)
where:
Base-Base interactions energy: -353.823
where: short stacking energy: -140.714
Base-Backbone interact. energy: -0.298
local terms energy: -137.106711
where:
bonds (distance) C4'-P energy: -28.008
bonds (distance) P-C4' energy: -32.637
flat angles C4'-P-C4' energy: -20.830
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -41.853
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: 4
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -372.276243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.276243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.276243 (E_RNA)
where:
Base-Base interactions energy: -238.880
where: short stacking energy: -103.442
Base-Backbone interact. energy: 1.326
local terms energy: -134.722436
where:
bonds (distance) C4'-P energy: -35.653
bonds (distance) P-C4' energy: -29.076
flat angles C4'-P-C4' energy: -22.311
flat angles P-C4'-P energy: -27.382
tors. eta vs tors. theta energy: -20.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -405.229429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.229429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.229429 (E_RNA)
where:
Base-Base interactions energy: -267.281
where: short stacking energy: -116.733
Base-Backbone interact. energy: -0.361
local terms energy: -137.587434
where:
bonds (distance) C4'-P energy: -31.469
bonds (distance) P-C4' energy: -38.385
flat angles C4'-P-C4' energy: -30.591
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -29.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -361.682006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.682006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.682006 (E_RNA)
where:
Base-Base interactions energy: -241.632
where: short stacking energy: -116.819
Base-Backbone interact. energy: -0.256
local terms energy: -119.793876
where:
bonds (distance) C4'-P energy: -28.581
bonds (distance) P-C4' energy: -31.652
flat angles C4'-P-C4' energy: -24.064
flat angles P-C4'-P energy: -13.747
tors. eta vs tors. theta energy: -21.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -158.435874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.435874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.435874 (E_RNA)
where:
Base-Base interactions energy: -69.925
where: short stacking energy: -68.979
Base-Backbone interact. energy: 3.195
local terms energy: -91.706120
where:
bonds (distance) C4'-P energy: -26.379
bonds (distance) P-C4' energy: -28.892
flat angles C4'-P-C4' energy: -19.559
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -5.323
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: 2
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -622.292961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.292961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.292961 (E_RNA)
where:
Base-Base interactions energy: -443.033
where: short stacking energy: -175.894
Base-Backbone interact. energy: -1.367
local terms energy: -177.892792
where:
bonds (distance) C4'-P energy: -36.940
bonds (distance) P-C4' energy: -33.802
flat angles C4'-P-C4' energy: -38.303
flat angles P-C4'-P energy: -21.862
tors. eta vs tors. theta energy: -46.986
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: 1
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -586.788033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.788033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.788033 (E_RNA)
where:
Base-Base interactions energy: -423.132
where: short stacking energy: -173.512
Base-Backbone interact. energy: -0.014
local terms energy: -163.642265
where:
bonds (distance) C4'-P energy: -30.568
bonds (distance) P-C4' energy: -23.496
flat angles C4'-P-C4' energy: -38.756
flat angles P-C4'-P energy: -24.311
tors. eta vs tors. theta energy: -46.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -557.383473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.383473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.383473 (E_RNA)
where:
Base-Base interactions energy: -382.762
where: short stacking energy: -146.487
Base-Backbone interact. energy: 1.113
local terms energy: -175.734344
where:
bonds (distance) C4'-P energy: -35.057
bonds (distance) P-C4' energy: -38.013
flat angles C4'-P-C4' energy: -34.710
flat angles P-C4'-P energy: -25.054
tors. eta vs tors. theta energy: -42.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -540.532230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.532230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.532230 (E_RNA)
where:
Base-Base interactions energy: -373.648
where: short stacking energy: -159.522
Base-Backbone interact. energy: -0.599
local terms energy: -166.285259
where:
bonds (distance) C4'-P energy: -26.364
bonds (distance) P-C4' energy: -30.048
flat angles C4'-P-C4' energy: -36.906
flat angles P-C4'-P energy: -27.824
tors. eta vs tors. theta energy: -45.143
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: 9
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -555.970041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.970041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.970041 (E_RNA)
where:
Base-Base interactions energy: -394.122
where: short stacking energy: -172.950
Base-Backbone interact. energy: -0.250
local terms energy: -161.598224
where:
bonds (distance) C4'-P energy: -21.968
bonds (distance) P-C4' energy: -29.041
flat angles C4'-P-C4' energy: -38.032
flat angles P-C4'-P energy: -19.687
tors. eta vs tors. theta energy: -52.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -478.876064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.876064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.876064 (E_RNA)
where:
Base-Base interactions energy: -330.524
where: short stacking energy: -132.935
Base-Backbone interact. energy: -2.498
local terms energy: -145.854086
where:
bonds (distance) C4'-P energy: -34.391
bonds (distance) P-C4' energy: -32.156
flat angles C4'-P-C4' energy: -25.256
flat angles P-C4'-P energy: -23.571
tors. eta vs tors. theta energy: -30.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -383.559297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.559297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.559297 (E_RNA)
where:
Base-Base interactions energy: -239.970
where: short stacking energy: -115.369
Base-Backbone interact. energy: 0.449
local terms energy: -144.038684
where:
bonds (distance) C4'-P energy: -29.050
bonds (distance) P-C4' energy: -34.936
flat angles C4'-P-C4' energy: -31.147
flat angles P-C4'-P energy: -20.572
tors. eta vs tors. theta energy: -28.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -359.222362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.222362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.222362 (E_RNA)
where:
Base-Base interactions energy: -233.042
where: short stacking energy: -94.899
Base-Backbone interact. energy: -0.534
local terms energy: -125.647168
where:
bonds (distance) C4'-P energy: -34.004
bonds (distance) P-C4' energy: -33.427
flat angles C4'-P-C4' energy: -35.931
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -9.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -377.684756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.684756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.684756 (E_RNA)
where:
Base-Base interactions energy: -252.036
where: short stacking energy: -98.442
Base-Backbone interact. energy: -0.153
local terms energy: -125.495978
where:
bonds (distance) C4'-P energy: -28.983
bonds (distance) P-C4' energy: -26.361
flat angles C4'-P-C4' energy: -26.597
flat angles P-C4'-P energy: -23.456
tors. eta vs tors. theta energy: -20.100
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: 3
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -175.809870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.809870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.809870 (E_RNA)
where:
Base-Base interactions energy: -63.071
where: short stacking energy: -61.438
Base-Backbone interact. energy: 0.159
local terms energy: -112.898138
where:
bonds (distance) C4'-P energy: -25.576
bonds (distance) P-C4' energy: -35.323
flat angles C4'-P-C4' energy: -35.275
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -5.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -629.835994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.835994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.835994 (E_RNA)
where:
Base-Base interactions energy: -440.760
where: short stacking energy: -177.383
Base-Backbone interact. energy: 0.265
local terms energy: -189.340495
where:
bonds (distance) C4'-P energy: -33.951
bonds (distance) P-C4' energy: -40.182
flat angles C4'-P-C4' energy: -39.643
flat angles P-C4'-P energy: -27.744
tors. eta vs tors. theta energy: -47.821
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: 2
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -609.074105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.074105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.074105 (E_RNA)
where:
Base-Base interactions energy: -443.895
where: short stacking energy: -172.289
Base-Backbone interact. energy: -2.599
local terms energy: -162.579865
where:
bonds (distance) C4'-P energy: -28.423
bonds (distance) P-C4' energy: -32.016
flat angles C4'-P-C4' energy: -34.279
flat angles P-C4'-P energy: -24.207
tors. eta vs tors. theta energy: -43.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -554.029826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.029826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.029826 (E_RNA)
where:
Base-Base interactions energy: -389.084
where: short stacking energy: -147.422
Base-Backbone interact. energy: 1.991
local terms energy: -166.935956
where:
bonds (distance) C4'-P energy: -33.108
bonds (distance) P-C4' energy: -39.064
flat angles C4'-P-C4' energy: -32.960
flat angles P-C4'-P energy: -26.058
tors. eta vs tors. theta energy: -35.746
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: 6
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -545.874327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.874327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.874327 (E_RNA)
where:
Base-Base interactions energy: -376.004
where: short stacking energy: -157.752
Base-Backbone interact. energy: 0.243
local terms energy: -170.113349
where:
bonds (distance) C4'-P energy: -32.750
bonds (distance) P-C4' energy: -37.840
flat angles C4'-P-C4' energy: -36.284
flat angles P-C4'-P energy: -17.845
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: 5, replica: 9
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -561.904868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.904868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.904868 (E_RNA)
where:
Base-Base interactions energy: -385.437
where: short stacking energy: -184.388
Base-Backbone interact. energy: -0.035
local terms energy: -176.433001
where:
bonds (distance) C4'-P energy: -23.672
bonds (distance) P-C4' energy: -37.264
flat angles C4'-P-C4' energy: -39.245
flat angles P-C4'-P energy: -24.138
tors. eta vs tors. theta energy: -52.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -481.535774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.535774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.535774 (E_RNA)
where:
Base-Base interactions energy: -327.525
where: short stacking energy: -144.128
Base-Backbone interact. energy: -0.804
local terms energy: -153.206696
where:
bonds (distance) C4'-P energy: -21.684
bonds (distance) P-C4' energy: -35.263
flat angles C4'-P-C4' energy: -36.855
flat angles P-C4'-P energy: -19.568
tors. eta vs tors. theta energy: -39.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -379.667587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.667587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.667587 (E_RNA)
where:
Base-Base interactions energy: -235.428
where: short stacking energy: -114.475
Base-Backbone interact. energy: -0.755
local terms energy: -143.484271
where:
bonds (distance) C4'-P energy: -32.547
bonds (distance) P-C4' energy: -28.753
flat angles C4'-P-C4' energy: -29.023
flat angles P-C4'-P energy: -27.150
tors. eta vs tors. theta energy: -26.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -362.224138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.224138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.224138 (E_RNA)
where:
Base-Base interactions energy: -238.814
where: short stacking energy: -114.689
Base-Backbone interact. energy: -0.422
local terms energy: -122.987695
where:
bonds (distance) C4'-P energy: -24.303
bonds (distance) P-C4' energy: -20.372
flat angles C4'-P-C4' energy: -36.003
flat angles P-C4'-P energy: -18.609
tors. eta vs tors. theta energy: -23.701
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: 5
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -398.223671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.223671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.223671 (E_RNA)
where:
Base-Base interactions energy: -271.003
where: short stacking energy: -121.739
Base-Backbone interact. energy: -0.433
local terms energy: -126.787719
where:
bonds (distance) C4'-P energy: -22.990
bonds (distance) P-C4' energy: -29.637
flat angles C4'-P-C4' energy: -31.881
flat angles P-C4'-P energy: -22.658
tors. eta vs tors. theta energy: -19.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -171.691248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.691248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.691248 (E_RNA)
where:
Base-Base interactions energy: -61.257
where: short stacking energy: -46.428
Base-Backbone interact. energy: -2.316
local terms energy: -108.118684
where:
bonds (distance) C4'-P energy: -32.556
bonds (distance) P-C4' energy: -28.689
flat angles C4'-P-C4' energy: -29.823
flat angles P-C4'-P energy: -15.858
tors. eta vs tors. theta energy: -1.193
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: 1, replica: 1
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -606.923376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.923376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.923376 (E_RNA)
where:
Base-Base interactions energy: -427.588
where: short stacking energy: -167.788
Base-Backbone interact. energy: -0.754
local terms energy: -178.581025
where:
bonds (distance) C4'-P energy: -33.851
bonds (distance) P-C4' energy: -30.996
flat angles C4'-P-C4' energy: -38.260
flat angles P-C4'-P energy: -28.209
tors. eta vs tors. theta energy: -47.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -622.883292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.883292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.883292 (E_RNA)
where:
Base-Base interactions energy: -437.812
where: short stacking energy: -176.142
Base-Backbone interact. energy: -1.268
local terms energy: -183.803599
where:
bonds (distance) C4'-P energy: -38.003
bonds (distance) P-C4' energy: -36.703
flat angles C4'-P-C4' energy: -34.901
flat angles P-C4'-P energy: -29.725
tors. eta vs tors. theta energy: -44.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -553.553164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.553164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.553164 (E_RNA)
where:
Base-Base interactions energy: -392.645
where: short stacking energy: -165.708
Base-Backbone interact. energy: -3.665
local terms energy: -157.243581
where:
bonds (distance) C4'-P energy: -20.825
bonds (distance) P-C4' energy: -33.454
flat angles C4'-P-C4' energy: -34.244
flat angles P-C4'-P energy: -26.386
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: 4, replica: 9
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -571.033578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.033578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.033578 (E_RNA)
where:
Base-Base interactions energy: -394.842
where: short stacking energy: -169.650
Base-Backbone interact. energy: -0.466
local terms energy: -175.726196
where:
bonds (distance) C4'-P energy: -31.665
bonds (distance) P-C4' energy: -33.667
flat angles C4'-P-C4' energy: -35.289
flat angles P-C4'-P energy: -26.438
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: 425
Temperature: 1.100000
Total energy: -555.502477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.502477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.502477 (E_RNA)
where:
Base-Base interactions energy: -387.523
where: short stacking energy: -164.949
Base-Backbone interact. energy: -0.152
local terms energy: -167.827060
where:
bonds (distance) C4'-P energy: -31.455
bonds (distance) P-C4' energy: -34.432
flat angles C4'-P-C4' energy: -39.673
flat angles P-C4'-P energy: -14.425
tors. eta vs tors. theta energy: -47.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -512.124745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.124745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.124745 (E_RNA)
where:
Base-Base interactions energy: -357.308
where: short stacking energy: -157.717
Base-Backbone interact. energy: -0.488
local terms energy: -154.328563
where:
bonds (distance) C4'-P energy: -28.857
bonds (distance) P-C4' energy: -28.979
flat angles C4'-P-C4' energy: -37.569
flat angles P-C4'-P energy: -15.641
tors. eta vs tors. theta energy: -43.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -361.781131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.781131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.781131 (E_RNA)
where:
Base-Base interactions energy: -208.651
where: short stacking energy: -117.388
Base-Backbone interact. energy: -0.256
local terms energy: -152.874588
where:
bonds (distance) C4'-P energy: -34.763
bonds (distance) P-C4' energy: -34.671
flat angles C4'-P-C4' energy: -36.103
flat angles P-C4'-P energy: -18.105
tors. eta vs tors. theta energy: -29.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -459.906708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.906708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.906708 (E_RNA)
where:
Base-Base interactions energy: -313.293
where: short stacking energy: -131.878
Base-Backbone interact. energy: -0.563
local terms energy: -146.050463
where:
bonds (distance) C4'-P energy: -33.619
bonds (distance) P-C4' energy: -28.870
flat angles C4'-P-C4' energy: -33.242
flat angles P-C4'-P energy: -20.754
tors. eta vs tors. theta energy: -29.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -335.757489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.757489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.757489 (E_RNA)
where:
Base-Base interactions energy: -213.007
where: short stacking energy: -92.397
Base-Backbone interact. energy: 0.694
local terms energy: -123.444297
where:
bonds (distance) C4'-P energy: -29.845
bonds (distance) P-C4' energy: -34.242
flat angles C4'-P-C4' energy: -33.804
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -13.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -171.534697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.534697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.534697 (E_RNA)
where:
Base-Base interactions energy: -69.314
where: short stacking energy: -51.412
Base-Backbone interact. energy: -0.493
local terms energy: -101.727034
where:
bonds (distance) C4'-P energy: -30.189
bonds (distance) P-C4' energy: -35.616
flat angles C4'-P-C4' energy: -23.086
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -2.049
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: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -614.404716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.404716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.404716 (E_RNA)
where:
Base-Base interactions energy: -437.440
where: short stacking energy: -168.471
Base-Backbone interact. energy: -2.111
local terms energy: -174.854362
where:
bonds (distance) C4'-P energy: -29.045
bonds (distance) P-C4' energy: -34.639
flat angles C4'-P-C4' energy: -35.351
flat angles P-C4'-P energy: -28.929
tors. eta vs tors. theta energy: -46.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -598.080356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.080356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.080356 (E_RNA)
where:
Base-Base interactions energy: -412.573
where: short stacking energy: -168.903
Base-Backbone interact. energy: -0.285
local terms energy: -185.222487
where:
bonds (distance) C4'-P energy: -34.209
bonds (distance) P-C4' energy: -33.915
flat angles C4'-P-C4' energy: -38.501
flat angles P-C4'-P energy: -32.371
tors. eta vs tors. theta energy: -46.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -586.392143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.392143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.392143 (E_RNA)
where:
Base-Base interactions energy: -402.811
where: short stacking energy: -183.256
Base-Backbone interact. energy: 0.801
local terms energy: -184.381708
where:
bonds (distance) C4'-P energy: -31.667
bonds (distance) P-C4' energy: -26.096
flat angles C4'-P-C4' energy: -41.346
flat angles P-C4'-P energy: -34.506
tors. eta vs tors. theta energy: -50.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -536.113764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.113764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.113764 (E_RNA)
where:
Base-Base interactions energy: -361.898
where: short stacking energy: -151.485
Base-Backbone interact. energy: -0.530
local terms energy: -173.686526
where:
bonds (distance) C4'-P energy: -35.078
bonds (distance) P-C4' energy: -32.658
flat angles C4'-P-C4' energy: -36.558
flat angles P-C4'-P energy: -27.692
tors. eta vs tors. theta energy: -41.701
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: 6
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -527.273563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.273563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.273563 (E_RNA)
where:
Base-Base interactions energy: -361.204
where: short stacking energy: -161.885
Base-Backbone interact. energy: -0.452
local terms energy: -165.617353
where:
bonds (distance) C4'-P energy: -21.863
bonds (distance) P-C4' energy: -33.810
flat angles C4'-P-C4' energy: -38.969
flat angles P-C4'-P energy: -25.602
tors. eta vs tors. theta energy: -45.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -490.303003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.303003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.303003 (E_RNA)
where:
Base-Base interactions energy: -330.921
where: short stacking energy: -143.507
Base-Backbone interact. energy: -0.364
local terms energy: -159.018528
where:
bonds (distance) C4'-P energy: -33.358
bonds (distance) P-C4' energy: -31.737
flat angles C4'-P-C4' energy: -35.761
flat angles P-C4'-P energy: -23.409
tors. eta vs tors. theta energy: -34.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -461.607663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.607663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.607663 (E_RNA)
where:
Base-Base interactions energy: -304.415
where: short stacking energy: -142.222
Base-Backbone interact. energy: -0.882
local terms energy: -156.309997
where:
bonds (distance) C4'-P energy: -31.754
bonds (distance) P-C4' energy: -23.809
flat angles C4'-P-C4' energy: -36.805
flat angles P-C4'-P energy: -30.042
tors. eta vs tors. theta energy: -33.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -347.202534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.202534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.202534 (E_RNA)
where:
Base-Base interactions energy: -215.021
where: short stacking energy: -106.181
Base-Backbone interact. energy: -0.245
local terms energy: -131.936435
where:
bonds (distance) C4'-P energy: -30.154
bonds (distance) P-C4' energy: -27.318
flat angles C4'-P-C4' energy: -31.690
flat angles P-C4'-P energy: -18.766
tors. eta vs tors. theta energy: -24.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -334.132791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.132791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.132791 (E_RNA)
where:
Base-Base interactions energy: -210.343
where: short stacking energy: -97.738
Base-Backbone interact. energy: -0.890
local terms energy: -122.899916
where:
bonds (distance) C4'-P energy: -24.747
bonds (distance) P-C4' energy: -32.700
flat angles C4'-P-C4' energy: -28.220
flat angles P-C4'-P energy: -19.824
tors. eta vs tors. theta energy: -17.409
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: 3
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -185.682737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.682737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.682737 (E_RNA)
where:
Base-Base interactions energy: -75.224
where: short stacking energy: -74.010
Base-Backbone interact. energy: -0.248
local terms energy: -110.211243
where:
bonds (distance) C4'-P energy: -31.317
bonds (distance) P-C4' energy: -29.547
flat angles C4'-P-C4' energy: -26.221
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -11.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -629.191425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.191425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.191425 (E_RNA)
where:
Base-Base interactions energy: -451.796
where: short stacking energy: -177.848
Base-Backbone interact. energy: 3.903
local terms energy: -181.298139
where:
bonds (distance) C4'-P energy: -33.553
bonds (distance) P-C4' energy: -39.561
flat angles C4'-P-C4' energy: -38.844
flat angles P-C4'-P energy: -23.102
tors. eta vs tors. theta energy: -46.239
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: 1
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -602.635605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.635605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.635605 (E_RNA)
where:
Base-Base interactions energy: -426.519
where: short stacking energy: -169.616
Base-Backbone interact. energy: -1.472
local terms energy: -174.644911
where:
bonds (distance) C4'-P energy: -31.059
bonds (distance) P-C4' energy: -31.970
flat angles C4'-P-C4' energy: -41.198
flat angles P-C4'-P energy: -27.569
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: 3, replica: 9
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -575.956566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.956566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.956566 (E_RNA)
where:
Base-Base interactions energy: -395.088
where: short stacking energy: -180.098
Base-Backbone interact. energy: -0.484
local terms energy: -180.383805
where:
bonds (distance) C4'-P energy: -31.716
bonds (distance) P-C4' energy: -30.254
flat angles C4'-P-C4' energy: -38.533
flat angles P-C4'-P energy: -24.848
tors. eta vs tors. theta energy: -55.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -556.423742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.423742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.423742 (E_RNA)
where:
Base-Base interactions energy: -382.209
where: short stacking energy: -159.572
Base-Backbone interact. energy: -2.282
local terms energy: -171.932295
where:
bonds (distance) C4'-P energy: -32.413
bonds (distance) P-C4' energy: -40.869
flat angles C4'-P-C4' energy: -37.542
flat angles P-C4'-P energy: -19.944
tors. eta vs tors. theta energy: -41.165
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: 5, replica: 6
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -529.397250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.397250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.397250 (E_RNA)
where:
Base-Base interactions energy: -358.720
where: short stacking energy: -152.955
Base-Backbone interact. energy: -0.566
local terms energy: -170.110958
where:
bonds (distance) C4'-P energy: -29.365
bonds (distance) P-C4' energy: -32.832
flat angles C4'-P-C4' energy: -35.255
flat angles P-C4'-P energy: -26.134
tors. eta vs tors. theta energy: -46.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -488.235744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.235744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.235744 (E_RNA)
where:
Base-Base interactions energy: -325.292
where: short stacking energy: -139.781
Base-Backbone interact. energy: -0.796
local terms energy: -162.147795
where:
bonds (distance) C4'-P energy: -32.841
bonds (distance) P-C4' energy: -35.551
flat angles C4'-P-C4' energy: -36.778
flat angles P-C4'-P energy: -25.127
tors. eta vs tors. theta energy: -31.851
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: 5
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -476.041935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.041935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.041935 (E_RNA)
where:
Base-Base interactions energy: -333.990
where: short stacking energy: -148.041
Base-Backbone interact. energy: -0.928
local terms energy: -141.123612
where:
bonds (distance) C4'-P energy: -30.585
bonds (distance) P-C4' energy: -23.913
flat angles C4'-P-C4' energy: -25.654
flat angles P-C4'-P energy: -22.870
tors. eta vs tors. theta energy: -38.102
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: 10
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -355.468915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.468915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.468915 (E_RNA)
where:
Base-Base interactions energy: -229.174
where: short stacking energy: -97.436
Base-Backbone interact. energy: -2.598
local terms energy: -123.696402
where:
bonds (distance) C4'-P energy: -35.047
bonds (distance) P-C4' energy: -33.354
flat angles C4'-P-C4' energy: -26.125
flat angles P-C4'-P energy: -15.586
tors. eta vs tors. theta energy: -13.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -326.526045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.526045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.526045 (E_RNA)
where:
Base-Base interactions energy: -204.714
where: short stacking energy: -102.003
Base-Backbone interact. energy: -0.613
local terms energy: -121.199235
where:
bonds (distance) C4'-P energy: -24.772
bonds (distance) P-C4' energy: -29.497
flat angles C4'-P-C4' energy: -33.606
flat angles P-C4'-P energy: -18.772
tors. eta vs tors. theta energy: -14.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -167.478851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.478851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.478851 (E_RNA)
where:
Base-Base interactions energy: -63.094
where: short stacking energy: -62.675
Base-Backbone interact. energy: -0.154
local terms energy: -104.230640
where:
bonds (distance) C4'-P energy: -27.937
bonds (distance) P-C4' energy: -24.487
flat angles C4'-P-C4' energy: -26.630
flat angles P-C4'-P energy: -17.800
tors. eta vs tors. theta energy: -7.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 428
Temperature: 0.900000
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: -429.076
where: short stacking energy: -175.280
Base-Backbone interact. energy: -0.778
local terms energy: -172.420944
where:
bonds (distance) C4'-P energy: -31.629
bonds (distance) P-C4' energy: -36.440
flat angles C4'-P-C4' energy: -36.575
flat angles P-C4'-P energy: -20.139
tors. eta vs tors. theta energy: -47.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -608.805446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.805446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.805446 (E_RNA)
where:
Base-Base interactions energy: -441.235
where: short stacking energy: -175.214
Base-Backbone interact. energy: -0.579
local terms energy: -166.991540
where:
bonds (distance) C4'-P energy: -27.358
bonds (distance) P-C4' energy: -35.843
flat angles C4'-P-C4' energy: -36.018
flat angles P-C4'-P energy: -23.436
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: 3, replica: 9
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -590.506872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.506872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.506872 (E_RNA)
where:
Base-Base interactions energy: -425.752
where: short stacking energy: -181.265
Base-Backbone interact. energy: -0.395
local terms energy: -164.360367
where:
bonds (distance) C4'-P energy: -33.414
bonds (distance) P-C4' energy: -18.348
flat angles C4'-P-C4' energy: -35.156
flat angles P-C4'-P energy: -25.072
tors. eta vs tors. theta energy: -52.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -538.993771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.993771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.993771 (E_RNA)
where:
Base-Base interactions energy: -375.564
where: short stacking energy: -152.440
Base-Backbone interact. energy: -1.918
local terms energy: -161.511387
where:
bonds (distance) C4'-P energy: -35.018
bonds (distance) P-C4' energy: -37.129
flat angles C4'-P-C4' energy: -35.089
flat angles P-C4'-P energy: -22.540
tors. eta vs tors. theta energy: -31.735
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: 428
Temperature: 1.100000
Total energy: -514.961328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.961328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.961328 (E_RNA)
where:
Base-Base interactions energy: -347.823
where: short stacking energy: -148.578
Base-Backbone interact. energy: -0.215
local terms energy: -166.923577
where:
bonds (distance) C4'-P energy: -30.626
bonds (distance) P-C4' energy: -38.433
flat angles C4'-P-C4' energy: -36.590
flat angles P-C4'-P energy: -13.909
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: 6, replica: 7
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -504.293048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.293048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.293048 (E_RNA)
where:
Base-Base interactions energy: -349.845
where: short stacking energy: -144.924
Base-Backbone interact. energy: -0.933
local terms energy: -153.515276
where:
bonds (distance) C4'-P energy: -28.588
bonds (distance) P-C4' energy: -29.957
flat angles C4'-P-C4' energy: -32.951
flat angles P-C4'-P energy: -25.615
tors. eta vs tors. theta energy: -36.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -494.810376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.810376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.810376 (E_RNA)
where:
Base-Base interactions energy: -336.460
where: short stacking energy: -139.452
Base-Backbone interact. energy: -0.335
local terms energy: -158.015270
where:
bonds (distance) C4'-P energy: -34.987
bonds (distance) P-C4' energy: -30.137
flat angles C4'-P-C4' energy: -30.783
flat angles P-C4'-P energy: -21.032
tors. eta vs tors. theta energy: -41.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -352.161190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.161190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.161190 (E_RNA)
where:
Base-Base interactions energy: -214.731
where: short stacking energy: -105.054
Base-Backbone interact. energy: -0.453
local terms energy: -136.976870
where:
bonds (distance) C4'-P energy: -22.707
bonds (distance) P-C4' energy: -28.214
flat angles C4'-P-C4' energy: -35.417
flat angles P-C4'-P energy: -26.799
tors. eta vs tors. theta energy: -23.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -343.905953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.905953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.905953 (E_RNA)
where:
Base-Base interactions energy: -215.724
where: short stacking energy: -100.797
Base-Backbone interact. energy: -0.971
local terms energy: -127.211297
where:
bonds (distance) C4'-P energy: -28.578
bonds (distance) P-C4' energy: -36.388
flat angles C4'-P-C4' energy: -25.271
flat angles P-C4'-P energy: -19.949
tors. eta vs tors. theta energy: -17.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -184.399050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.399050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.399050 (E_RNA)
where:
Base-Base interactions energy: -79.163
where: short stacking energy: -50.023
Base-Backbone interact. energy: 0.201
local terms energy: -105.438020
where:
bonds (distance) C4'-P energy: -28.159
bonds (distance) P-C4' energy: -35.854
flat angles C4'-P-C4' energy: -21.326
flat angles P-C4'-P energy: -19.029
tors. eta vs tors. theta energy: -1.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -619.113371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.113371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.113371 (E_RNA)
where:
Base-Base interactions energy: -444.706
where: short stacking energy: -179.149
Base-Backbone interact. energy: -0.973
local terms energy: -173.434247
where:
bonds (distance) C4'-P energy: -31.623
bonds (distance) P-C4' energy: -30.227
flat angles C4'-P-C4' energy: -37.378
flat angles P-C4'-P energy: -25.892
tors. eta vs tors. theta energy: -48.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -613.268424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.268424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.268424 (E_RNA)
where:
Base-Base interactions energy: -429.173
where: short stacking energy: -166.749
Base-Backbone interact. energy: -1.177
local terms energy: -182.918433
where:
bonds (distance) C4'-P energy: -35.051
bonds (distance) P-C4' energy: -38.939
flat angles C4'-P-C4' energy: -37.493
flat angles P-C4'-P energy: -27.385
tors. eta vs tors. theta energy: -44.051
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: 9
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -590.604306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.604306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.604306 (E_RNA)
where:
Base-Base interactions energy: -403.739
where: short stacking energy: -180.254
Base-Backbone interact. energy: -0.812
local terms energy: -186.053154
where:
bonds (distance) C4'-P energy: -32.166
bonds (distance) P-C4' energy: -37.481
flat angles C4'-P-C4' energy: -34.381
flat angles P-C4'-P energy: -26.402
tors. eta vs tors. theta energy: -55.624
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: 4, replica: 6
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -548.524909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.524909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.524909 (E_RNA)
where:
Base-Base interactions energy: -375.380
where: short stacking energy: -160.787
Base-Backbone interact. energy: -0.319
local terms energy: -172.825892
where:
bonds (distance) C4'-P energy: -31.779
bonds (distance) P-C4' energy: -36.817
flat angles C4'-P-C4' energy: -32.957
flat angles P-C4'-P energy: -22.692
tors. eta vs tors. theta energy: -48.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -531.959508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.959508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.959508 (E_RNA)
where:
Base-Base interactions energy: -369.708
where: short stacking energy: -144.720
Base-Backbone interact. energy: -1.001
local terms energy: -161.249861
where:
bonds (distance) C4'-P energy: -29.864
bonds (distance) P-C4' energy: -28.590
flat angles C4'-P-C4' energy: -38.916
flat angles P-C4'-P energy: -27.176
tors. eta vs tors. theta energy: -36.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -483.230460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.230460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.230460 (E_RNA)
where:
Base-Base interactions energy: -341.584
where: short stacking energy: -150.173
Base-Backbone interact. energy: -0.782
local terms energy: -140.863850
where:
bonds (distance) C4'-P energy: -31.271
bonds (distance) P-C4' energy: -31.889
flat angles C4'-P-C4' energy: -26.718
flat angles P-C4'-P energy: -19.482
tors. eta vs tors. theta energy: -31.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -434.708286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.708286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.708286 (E_RNA)
where:
Base-Base interactions energy: -300.647
where: short stacking energy: -114.962
Base-Backbone interact. energy: -0.713
local terms energy: -133.348876
where:
bonds (distance) C4'-P energy: -24.733
bonds (distance) P-C4' energy: -32.464
flat angles C4'-P-C4' energy: -29.266
flat angles P-C4'-P energy: -23.597
tors. eta vs tors. theta energy: -23.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -356.018215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.018215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.018215 (E_RNA)
where:
Base-Base interactions energy: -239.379
where: short stacking energy: -109.420
Base-Backbone interact. energy: -1.287
local terms energy: -115.352000
where:
bonds (distance) C4'-P energy: -25.768
bonds (distance) P-C4' energy: -27.614
flat angles C4'-P-C4' energy: -29.067
flat angles P-C4'-P energy: -23.536
tors. eta vs tors. theta energy: -9.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -310.691451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.691451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.691451 (E_RNA)
where:
Base-Base interactions energy: -197.848
where: short stacking energy: -87.006
Base-Backbone interact. energy: -1.139
local terms energy: -111.704493
where:
bonds (distance) C4'-P energy: -30.574
bonds (distance) P-C4' energy: -26.905
flat angles C4'-P-C4' energy: -24.601
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -15.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -175.711339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.711339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.711339 (E_RNA)
where:
Base-Base interactions energy: -74.278
where: short stacking energy: -41.483
Base-Backbone interact. energy: -0.917
local terms energy: -100.516260
where:
bonds (distance) C4'-P energy: -24.123
bonds (distance) P-C4' energy: -37.615
flat angles C4'-P-C4' energy: -20.985
flat angles P-C4'-P energy: -16.429
tors. eta vs tors. theta energy: -1.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -615.852733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.852733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.852733 (E_RNA)
where:
Base-Base interactions energy: -440.152
where: short stacking energy: -161.183
Base-Backbone interact. energy: -1.587
local terms energy: -174.113817
where:
bonds (distance) C4'-P energy: -36.510
bonds (distance) P-C4' energy: -33.567
flat angles C4'-P-C4' energy: -35.175
flat angles P-C4'-P energy: -23.466
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: 2, replica: 1
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -605.220859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.220859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.220859 (E_RNA)
where:
Base-Base interactions energy: -425.283
where: short stacking energy: -163.727
Base-Backbone interact. energy: 0.755
local terms energy: -180.692427
where:
bonds (distance) C4'-P energy: -29.099
bonds (distance) P-C4' energy: -35.267
flat angles C4'-P-C4' energy: -38.091
flat angles P-C4'-P energy: -30.022
tors. eta vs tors. theta energy: -48.213
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: 6
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -557.651654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.651654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.651654 (E_RNA)
where:
Base-Base interactions energy: -385.813
where: short stacking energy: -164.591
Base-Backbone interact. energy: -0.040
local terms energy: -171.797868
where:
bonds (distance) C4'-P energy: -31.784
bonds (distance) P-C4' energy: -34.193
flat angles C4'-P-C4' energy: -37.771
flat angles P-C4'-P energy: -26.129
tors. eta vs tors. theta energy: -41.920
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: 9
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -575.926691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.926691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.926691 (E_RNA)
where:
Base-Base interactions energy: -396.054
where: short stacking energy: -166.836
Base-Backbone interact. energy: -1.200
local terms energy: -178.673579
where:
bonds (distance) C4'-P energy: -29.800
bonds (distance) P-C4' energy: -34.722
flat angles C4'-P-C4' energy: -39.127
flat angles P-C4'-P energy: -25.322
tors. eta vs tors. theta energy: -49.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -498.776035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.776035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.776035 (E_RNA)
where:
Base-Base interactions energy: -346.111
where: short stacking energy: -147.115
Base-Backbone interact. energy: 1.647
local terms energy: -154.311837
where:
bonds (distance) C4'-P energy: -27.323
bonds (distance) P-C4' energy: -34.307
flat angles C4'-P-C4' energy: -32.108
flat angles P-C4'-P energy: -21.218
tors. eta vs tors. theta energy: -39.356
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: 8
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -501.546890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.546890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.546890 (E_RNA)
where:
Base-Base interactions energy: -342.312
where: short stacking energy: -145.735
Base-Backbone interact. energy: -0.484
local terms energy: -158.750946
where:
bonds (distance) C4'-P energy: -34.415
bonds (distance) P-C4' energy: -29.429
flat angles C4'-P-C4' energy: -32.645
flat angles P-C4'-P energy: -26.314
tors. eta vs tors. theta energy: -35.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -419.350635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.350635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.350635 (E_RNA)
where:
Base-Base interactions energy: -287.996
where: short stacking energy: -122.961
Base-Backbone interact. energy: 0.506
local terms energy: -131.861238
where:
bonds (distance) C4'-P energy: -32.191
bonds (distance) P-C4' energy: -29.649
flat angles C4'-P-C4' energy: -28.653
flat angles P-C4'-P energy: -15.567
tors. eta vs tors. theta energy: -25.801
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: 8, replica: 10
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -371.775727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.775727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.775727 (E_RNA)
where:
Base-Base interactions energy: -244.670
where: short stacking energy: -108.638
Base-Backbone interact. energy: -0.849
local terms energy: -126.255974
where:
bonds (distance) C4'-P energy: -21.984
bonds (distance) P-C4' energy: -28.064
flat angles C4'-P-C4' energy: -31.462
flat angles P-C4'-P energy: -19.750
tors. eta vs tors. theta energy: -24.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -337.918562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.918562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.918562 (E_RNA)
where:
Base-Base interactions energy: -214.681
where: short stacking energy: -95.705
Base-Backbone interact. energy: -0.168
local terms energy: -123.069627
where:
bonds (distance) C4'-P energy: -29.125
bonds (distance) P-C4' energy: -31.764
flat angles C4'-P-C4' energy: -27.277
flat angles P-C4'-P energy: -17.436
tors. eta vs tors. theta energy: -17.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -186.644757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.644757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.644757 (E_RNA)
where:
Base-Base interactions energy: -96.682
where: short stacking energy: -72.126
Base-Backbone interact. energy: 1.949
local terms energy: -91.911952
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -24.851
flat angles C4'-P-C4' energy: -28.847
flat angles P-C4'-P energy: -15.719
tors. eta vs tors. theta energy: -2.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -609.556958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.556958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.556958 (E_RNA)
where:
Base-Base interactions energy: -441.155
where: short stacking energy: -171.620
Base-Backbone interact. energy: -0.952
local terms energy: -167.449790
where:
bonds (distance) C4'-P energy: -31.881
bonds (distance) P-C4' energy: -35.989
flat angles C4'-P-C4' energy: -31.764
flat angles P-C4'-P energy: -22.223
tors. eta vs tors. theta energy: -45.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -605.339826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.339826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.339826 (E_RNA)
where:
Base-Base interactions energy: -427.310
where: short stacking energy: -180.070
Base-Backbone interact. energy: -1.432
local terms energy: -176.598540
where:
bonds (distance) C4'-P energy: -29.322
bonds (distance) P-C4' energy: -35.363
flat angles C4'-P-C4' energy: -38.407
flat angles P-C4'-P energy: -25.810
tors. eta vs tors. theta energy: -47.696
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: 6
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -540.471987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.471987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.471987 (E_RNA)
where:
Base-Base interactions energy: -379.624
where: short stacking energy: -157.044
Base-Backbone interact. energy: -0.082
local terms energy: -160.766635
where:
bonds (distance) C4'-P energy: -32.233
bonds (distance) P-C4' energy: -33.445
flat angles C4'-P-C4' energy: -29.716
flat angles P-C4'-P energy: -23.421
tors. eta vs tors. theta energy: -41.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -584.433186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.433186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.433186 (E_RNA)
where:
Base-Base interactions energy: -424.150
where: short stacking energy: -185.459
Base-Backbone interact. energy: 0.979
local terms energy: -161.261704
where:
bonds (distance) C4'-P energy: -24.503
bonds (distance) P-C4' energy: -28.912
flat angles C4'-P-C4' energy: -34.592
flat angles P-C4'-P energy: -21.915
tors. eta vs tors. theta energy: -51.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -488.048749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.048749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.048749 (E_RNA)
where:
Base-Base interactions energy: -348.718
where: short stacking energy: -132.498
Base-Backbone interact. energy: -1.543
local terms energy: -137.787828
where:
bonds (distance) C4'-P energy: -28.686
bonds (distance) P-C4' energy: -35.583
flat angles C4'-P-C4' energy: -33.895
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -28.961
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: 8
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -513.557043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.557043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.557043 (E_RNA)
where:
Base-Base interactions energy: -351.817
where: short stacking energy: -146.058
Base-Backbone interact. energy: -2.177
local terms energy: -159.562784
where:
bonds (distance) C4'-P energy: -34.537
bonds (distance) P-C4' energy: -33.039
flat angles C4'-P-C4' energy: -38.587
flat angles P-C4'-P energy: -18.350
tors. eta vs tors. theta energy: -35.049
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: 7, replica: 5
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -458.311980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.311980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.311980 (E_RNA)
where:
Base-Base interactions energy: -318.121
where: short stacking energy: -132.283
Base-Backbone interact. energy: -0.048
local terms energy: -140.143357
where:
bonds (distance) C4'-P energy: -31.583
bonds (distance) P-C4' energy: -27.926
flat angles C4'-P-C4' energy: -30.919
flat angles P-C4'-P energy: -21.062
tors. eta vs tors. theta energy: -28.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -361.199730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.199730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.199730 (E_RNA)
where:
Base-Base interactions energy: -226.526
where: short stacking energy: -104.105
Base-Backbone interact. energy: -0.469
local terms energy: -134.204419
where:
bonds (distance) C4'-P energy: -26.558
bonds (distance) P-C4' energy: -35.091
flat angles C4'-P-C4' energy: -28.931
flat angles P-C4'-P energy: -21.785
tors. eta vs tors. theta energy: -21.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -353.138333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.138333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.138333 (E_RNA)
where:
Base-Base interactions energy: -225.272
where: short stacking energy: -106.440
Base-Backbone interact. energy: -0.636
local terms energy: -127.230384
where:
bonds (distance) C4'-P energy: -25.477
bonds (distance) P-C4' energy: -28.649
flat angles C4'-P-C4' energy: -34.729
flat angles P-C4'-P energy: -19.854
tors. eta vs tors. theta energy: -18.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -181.031180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.031180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.031180 (E_RNA)
where:
Base-Base interactions energy: -78.281
where: short stacking energy: -44.602
Base-Backbone interact. energy: -0.562
local terms energy: -102.187499
where:
bonds (distance) C4'-P energy: -26.586
bonds (distance) P-C4' energy: -34.498
flat angles C4'-P-C4' energy: -22.788
flat angles P-C4'-P energy: -23.010
tors. eta vs tors. theta energy: 4.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -598.355640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.355640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.355640 (E_RNA)
where:
Base-Base interactions energy: -422.586
where: short stacking energy: -164.899
Base-Backbone interact. energy: -1.409
local terms energy: -174.360416
where:
bonds (distance) C4'-P energy: -34.590
bonds (distance) P-C4' energy: -35.866
flat angles C4'-P-C4' energy: -38.113
flat angles P-C4'-P energy: -25.418
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: 2, replica: 2
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -600.435443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.435443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.435443 (E_RNA)
where:
Base-Base interactions energy: -422.110
where: short stacking energy: -165.750
Base-Backbone interact. energy: 0.544
local terms energy: -178.869064
where:
bonds (distance) C4'-P energy: -33.163
bonds (distance) P-C4' energy: -38.150
flat angles C4'-P-C4' energy: -35.215
flat angles P-C4'-P energy: -27.267
tors. eta vs tors. theta energy: -45.074
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: 9
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -582.432808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.432808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.432808 (E_RNA)
where:
Base-Base interactions energy: -405.624
where: short stacking energy: -176.019
Base-Backbone interact. energy: -0.741
local terms energy: -176.067642
where:
bonds (distance) C4'-P energy: -30.698
bonds (distance) P-C4' energy: -30.975
flat angles C4'-P-C4' energy: -40.775
flat angles P-C4'-P energy: -23.684
tors. eta vs tors. theta energy: -49.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -542.486438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.486438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.486438 (E_RNA)
where:
Base-Base interactions energy: -380.420
where: short stacking energy: -160.594
Base-Backbone interact. energy: -0.285
local terms energy: -161.781386
where:
bonds (distance) C4'-P energy: -31.472
bonds (distance) P-C4' energy: -34.344
flat angles C4'-P-C4' energy: -36.245
flat angles P-C4'-P energy: -14.884
tors. eta vs tors. theta energy: -44.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -484.409464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.409464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.409464 (E_RNA)
where:
Base-Base interactions energy: -338.198
where: short stacking energy: -141.222
Base-Backbone interact. energy: -1.158
local terms energy: -145.053567
where:
bonds (distance) C4'-P energy: -29.169
bonds (distance) P-C4' energy: -31.301
flat angles C4'-P-C4' energy: -35.721
flat angles P-C4'-P energy: -16.692
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: 6, replica: 8
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -498.113903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.113903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.113903 (E_RNA)
where:
Base-Base interactions energy: -339.116
where: short stacking energy: -143.814
Base-Backbone interact. energy: -2.156
local terms energy: -156.841212
where:
bonds (distance) C4'-P energy: -25.965
bonds (distance) P-C4' energy: -37.192
flat angles C4'-P-C4' energy: -35.924
flat angles P-C4'-P energy: -26.070
tors. eta vs tors. theta energy: -31.690
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: 432
Temperature: 1.200000
Total energy: -490.446393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.446393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.446393 (E_RNA)
where:
Base-Base interactions energy: -351.831
where: short stacking energy: -151.461
Base-Backbone interact. energy: -0.687
local terms energy: -137.927773
where:
bonds (distance) C4'-P energy: -28.369
bonds (distance) P-C4' energy: -27.786
flat angles C4'-P-C4' energy: -24.896
flat angles P-C4'-P energy: -18.727
tors. eta vs tors. theta energy: -38.150
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: 432
Temperature: 1.250000
Total energy: -373.749945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.749945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.749945 (E_RNA)
where:
Base-Base interactions energy: -251.686
where: short stacking energy: -120.486
Base-Backbone interact. energy: -0.464
local terms energy: -121.600091
where:
bonds (distance) C4'-P energy: -22.138
bonds (distance) P-C4' energy: -29.932
flat angles C4'-P-C4' energy: -25.909
flat angles P-C4'-P energy: -19.660
tors. eta vs tors. theta energy: -23.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -348.395999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.395999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.395999 (E_RNA)
where:
Base-Base interactions energy: -226.063
where: short stacking energy: -107.634
Base-Backbone interact. energy: -1.541
local terms energy: -120.792100
where:
bonds (distance) C4'-P energy: -24.386
bonds (distance) P-C4' energy: -33.001
flat angles C4'-P-C4' energy: -23.582
flat angles P-C4'-P energy: -19.167
tors. eta vs tors. theta energy: -20.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -195.055832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.055832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.055832 (E_RNA)
where:
Base-Base interactions energy: -112.075
where: short stacking energy: -68.052
Base-Backbone interact. energy: -1.361
local terms energy: -81.620067
where:
bonds (distance) C4'-P energy: -29.026
bonds (distance) P-C4' energy: -30.190
flat angles C4'-P-C4' energy: -18.889
flat angles P-C4'-P energy: -3.956
tors. eta vs tors. theta energy: 0.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -600.032816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.032816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.032816 (E_RNA)
where:
Base-Base interactions energy: -419.423
where: short stacking energy: -159.146
Base-Backbone interact. energy: -2.076
local terms energy: -178.534198
where:
bonds (distance) C4'-P energy: -34.532
bonds (distance) P-C4' energy: -38.108
flat angles C4'-P-C4' energy: -36.772
flat angles P-C4'-P energy: -25.062
tors. eta vs tors. theta energy: -44.061
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: 2, replica: 9
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -597.501104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.501104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.501104 (E_RNA)
where:
Base-Base interactions energy: -407.241
where: short stacking energy: -190.064
Base-Backbone interact. energy: -0.772
local terms energy: -189.487173
where:
bonds (distance) C4'-P energy: -32.368
bonds (distance) P-C4' energy: -35.330
flat angles C4'-P-C4' energy: -43.664
flat angles P-C4'-P energy: -26.282
tors. eta vs tors. theta energy: -51.843
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: 2
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -583.838986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.838986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.838986 (E_RNA)
where:
Base-Base interactions energy: -418.103
where: short stacking energy: -162.236
Base-Backbone interact. energy: -1.584
local terms energy: -164.152222
where:
bonds (distance) C4'-P energy: -32.419
bonds (distance) P-C4' energy: -24.689
flat angles C4'-P-C4' energy: -31.090
flat angles P-C4'-P energy: -31.922
tors. eta vs tors. theta energy: -44.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -525.789713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.789713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.789713 (E_RNA)
where:
Base-Base interactions energy: -369.281
where: short stacking energy: -161.148
Base-Backbone interact. energy: -0.005
local terms energy: -156.503891
where:
bonds (distance) C4'-P energy: -23.781
bonds (distance) P-C4' energy: -33.616
flat angles C4'-P-C4' energy: -31.635
flat angles P-C4'-P energy: -27.966
tors. eta vs tors. theta energy: -39.505
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: 5, replica: 6
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -529.892746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.892746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.892746 (E_RNA)
where:
Base-Base interactions energy: -356.522
where: short stacking energy: -155.180
Base-Backbone interact. energy: -0.226
local terms energy: -173.144148
where:
bonds (distance) C4'-P energy: -29.884
bonds (distance) P-C4' energy: -33.639
flat angles C4'-P-C4' energy: -37.920
flat angles P-C4'-P energy: -26.241
tors. eta vs tors. theta energy: -45.461
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: 6, replica: 8
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -475.939981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.939981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.939981 (E_RNA)
where:
Base-Base interactions energy: -340.011
where: short stacking energy: -139.628
Base-Backbone interact. energy: 0.219
local terms energy: -136.148128
where:
bonds (distance) C4'-P energy: -22.375
bonds (distance) P-C4' energy: -24.465
flat angles C4'-P-C4' energy: -29.956
flat angles P-C4'-P energy: -27.239
tors. eta vs tors. theta energy: -32.112
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: 5
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -493.024598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.024598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.024598 (E_RNA)
where:
Base-Base interactions energy: -332.777
where: short stacking energy: -137.523
Base-Backbone interact. energy: -0.516
local terms energy: -159.731872
where:
bonds (distance) C4'-P energy: -36.241
bonds (distance) P-C4' energy: -31.786
flat angles C4'-P-C4' energy: -31.431
flat angles P-C4'-P energy: -24.697
tors. eta vs tors. theta energy: -35.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -353.721679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.721679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.721679 (E_RNA)
where:
Base-Base interactions energy: -219.929
where: short stacking energy: -96.139
Base-Backbone interact. energy: -0.293
local terms energy: -133.500380
where:
bonds (distance) C4'-P energy: -25.712
bonds (distance) P-C4' energy: -29.929
flat angles C4'-P-C4' energy: -34.016
flat angles P-C4'-P energy: -26.940
tors. eta vs tors. theta energy: -16.903
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: 4
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -366.262812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.262812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.262812 (E_RNA)
where:
Base-Base interactions energy: -238.971
where: short stacking energy: -98.654
Base-Backbone interact. energy: -0.599
local terms energy: -126.692214
where:
bonds (distance) C4'-P energy: -30.564
bonds (distance) P-C4' energy: -31.731
flat angles C4'-P-C4' energy: -24.239
flat angles P-C4'-P energy: -23.003
tors. eta vs tors. theta energy: -17.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -168.288090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.288090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.288090 (E_RNA)
where:
Base-Base interactions energy: -80.464
where: short stacking energy: -71.675
Base-Backbone interact. energy: 3.078
local terms energy: -90.902128
where:
bonds (distance) C4'-P energy: -27.092
bonds (distance) P-C4' energy: -21.779
flat angles C4'-P-C4' energy: -20.327
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -9.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -603.484107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.484107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.484107 (E_RNA)
where:
Base-Base interactions energy: -431.023
where: short stacking energy: -170.923
Base-Backbone interact. energy: -2.582
local terms energy: -169.878804
where:
bonds (distance) C4'-P energy: -31.627
bonds (distance) P-C4' energy: -35.764
flat angles C4'-P-C4' energy: -35.902
flat angles P-C4'-P energy: -26.496
tors. eta vs tors. theta energy: -40.090
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: 2, replica: 9
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -594.625858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.625858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.625858 (E_RNA)
where:
Base-Base interactions energy: -404.246
where: short stacking energy: -197.067
Base-Backbone interact. energy: -0.098
local terms energy: -190.282162
where:
bonds (distance) C4'-P energy: -37.090
bonds (distance) P-C4' energy: -42.219
flat angles C4'-P-C4' energy: -36.844
flat angles P-C4'-P energy: -24.111
tors. eta vs tors. theta energy: -50.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -577.433728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.433728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.433728 (E_RNA)
where:
Base-Base interactions energy: -394.652
where: short stacking energy: -163.028
Base-Backbone interact. energy: -1.257
local terms energy: -181.524946
where:
bonds (distance) C4'-P energy: -40.136
bonds (distance) P-C4' energy: -32.133
flat angles C4'-P-C4' energy: -35.141
flat angles P-C4'-P energy: -28.714
tors. eta vs tors. theta energy: -45.402
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: 7
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -532.272938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.272938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.272938 (E_RNA)
where:
Base-Base interactions energy: -352.209
where: short stacking energy: -171.802
Base-Backbone interact. energy: 0.741
local terms energy: -180.804448
where:
bonds (distance) C4'-P energy: -33.159
bonds (distance) P-C4' energy: -38.754
flat angles C4'-P-C4' energy: -37.235
flat angles P-C4'-P energy: -25.134
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: 5, replica: 6
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -523.558066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.558066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.558066 (E_RNA)
where:
Base-Base interactions energy: -362.848
where: short stacking energy: -159.489
Base-Backbone interact. energy: -0.839
local terms energy: -159.870971
where:
bonds (distance) C4'-P energy: -30.912
bonds (distance) P-C4' energy: -31.101
flat angles C4'-P-C4' energy: -35.395
flat angles P-C4'-P energy: -14.493
tors. eta vs tors. theta energy: -47.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -471.218053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.218053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.218053 (E_RNA)
where:
Base-Base interactions energy: -330.308
where: short stacking energy: -142.376
Base-Backbone interact. energy: -0.645
local terms energy: -140.265363
where:
bonds (distance) C4'-P energy: -24.988
bonds (distance) P-C4' energy: -33.521
flat angles C4'-P-C4' energy: -34.474
flat angles P-C4'-P energy: -15.137
tors. eta vs tors. theta energy: -32.145
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: 5
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -505.934990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.934990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.934990 (E_RNA)
where:
Base-Base interactions energy: -363.008
where: short stacking energy: -142.159
Base-Backbone interact. energy: -0.430
local terms energy: -142.497256
where:
bonds (distance) C4'-P energy: -24.015
bonds (distance) P-C4' energy: -30.082
flat angles C4'-P-C4' energy: -31.290
flat angles P-C4'-P energy: -26.636
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: 8, replica: 10
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -385.297238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.297238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.297238 (E_RNA)
where:
Base-Base interactions energy: -262.285
where: short stacking energy: -104.519
Base-Backbone interact. energy: -0.097
local terms energy: -122.914998
where:
bonds (distance) C4'-P energy: -34.334
bonds (distance) P-C4' energy: -28.900
flat angles C4'-P-C4' energy: -20.483
flat angles P-C4'-P energy: -18.559
tors. eta vs tors. theta energy: -20.639
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: 4
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -378.460187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.460187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.460187 (E_RNA)
where:
Base-Base interactions energy: -251.661
where: short stacking energy: -106.870
Base-Backbone interact. energy: 0.602
local terms energy: -127.400955
where:
bonds (distance) C4'-P energy: -24.678
bonds (distance) P-C4' energy: -26.190
flat angles C4'-P-C4' energy: -30.127
flat angles P-C4'-P energy: -23.186
tors. eta vs tors. theta energy: -23.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -194.029290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.029290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.029290 (E_RNA)
where:
Base-Base interactions energy: -74.481
where: short stacking energy: -52.426
Base-Backbone interact. energy: -1.064
local terms energy: -118.484369
where:
bonds (distance) C4'-P energy: -30.784
bonds (distance) P-C4' energy: -31.598
flat angles C4'-P-C4' energy: -31.591
flat angles P-C4'-P energy: -20.236
tors. eta vs tors. theta energy: -4.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -594.897617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.897617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.897617 (E_RNA)
where:
Base-Base interactions energy: -419.096
where: short stacking energy: -170.440
Base-Backbone interact. energy: -1.546
local terms energy: -174.255645
where:
bonds (distance) C4'-P energy: -38.666
bonds (distance) P-C4' energy: -31.724
flat angles C4'-P-C4' energy: -37.071
flat angles P-C4'-P energy: -20.399
tors. eta vs tors. theta energy: -46.396
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: 9
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -586.546420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.546420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.546420 (E_RNA)
where:
Base-Base interactions energy: -404.267
where: short stacking energy: -182.457
Base-Backbone interact. energy: -0.663
local terms energy: -181.616198
where:
bonds (distance) C4'-P energy: -34.743
bonds (distance) P-C4' energy: -34.282
flat angles C4'-P-C4' energy: -37.630
flat angles P-C4'-P energy: -21.955
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: 3, replica: 2
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -560.368893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.368893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.368893 (E_RNA)
where:
Base-Base interactions energy: -401.495
where: short stacking energy: -163.754
Base-Backbone interact. energy: -0.947
local terms energy: -157.926927
where:
bonds (distance) C4'-P energy: -34.033
bonds (distance) P-C4' energy: -24.165
flat angles C4'-P-C4' energy: -33.493
flat angles P-C4'-P energy: -23.871
tors. eta vs tors. theta energy: -42.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -528.035687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.035687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.035687 (E_RNA)
where:
Base-Base interactions energy: -370.577
where: short stacking energy: -157.259
Base-Backbone interact. energy: -0.447
local terms energy: -157.011395
where:
bonds (distance) C4'-P energy: -31.748
bonds (distance) P-C4' energy: -35.972
flat angles C4'-P-C4' energy: -35.537
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -42.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -534.814130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.814130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.814130 (E_RNA)
where:
Base-Base interactions energy: -372.470
where: short stacking energy: -166.140
Base-Backbone interact. energy: -0.655
local terms energy: -161.689464
where:
bonds (distance) C4'-P energy: -31.137
bonds (distance) P-C4' energy: -19.726
flat angles C4'-P-C4' energy: -36.411
flat angles P-C4'-P energy: -27.885
tors. eta vs tors. theta energy: -46.530
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: 435
Temperature: 1.150000
Total energy: -484.851406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.851406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.851406 (E_RNA)
where:
Base-Base interactions energy: -338.648
where: short stacking energy: -142.755
Base-Backbone interact. energy: -0.930
local terms energy: -145.273550
where:
bonds (distance) C4'-P energy: -27.617
bonds (distance) P-C4' energy: -31.283
flat angles C4'-P-C4' energy: -27.792
flat angles P-C4'-P energy: -24.635
tors. eta vs tors. theta energy: -33.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -484.769001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.769001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.769001 (E_RNA)
where:
Base-Base interactions energy: -343.993
where: short stacking energy: -146.228
Base-Backbone interact. energy: -0.254
local terms energy: -140.521744
where:
bonds (distance) C4'-P energy: -30.805
bonds (distance) P-C4' energy: -33.999
flat angles C4'-P-C4' energy: -22.361
flat angles P-C4'-P energy: -18.458
tors. eta vs tors. theta energy: -34.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -371.634262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.634262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.634262 (E_RNA)
where:
Base-Base interactions energy: -240.798
where: short stacking energy: -104.457
Base-Backbone interact. energy: -0.734
local terms energy: -130.102559
where:
bonds (distance) C4'-P energy: -26.386
bonds (distance) P-C4' energy: -30.278
flat angles C4'-P-C4' energy: -28.131
flat angles P-C4'-P energy: -21.590
tors. eta vs tors. theta energy: -23.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -381.514678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.514678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.514678 (E_RNA)
where:
Base-Base interactions energy: -250.262
where: short stacking energy: -102.364
Base-Backbone interact. energy: -0.366
local terms energy: -130.886191
where:
bonds (distance) C4'-P energy: -34.086
bonds (distance) P-C4' energy: -31.726
flat angles C4'-P-C4' energy: -21.896
flat angles P-C4'-P energy: -21.290
tors. eta vs tors. theta energy: -21.888
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: 435
Temperature: 1.350000
Total energy: -169.658021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.658021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.658021 (E_RNA)
where:
Base-Base interactions energy: -68.359
where: short stacking energy: -42.304
Base-Backbone interact. energy: -1.079
local terms energy: -100.219824
where:
bonds (distance) C4'-P energy: -28.106
bonds (distance) P-C4' energy: -31.235
flat angles C4'-P-C4' energy: -23.486
flat angles P-C4'-P energy: -22.642
tors. eta vs tors. theta energy: 5.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -603.149410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.149410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.149410 (E_RNA)
where:
Base-Base interactions energy: -432.701
where: short stacking energy: -181.248
Base-Backbone interact. energy: 0.142
local terms energy: -170.589772
where:
bonds (distance) C4'-P energy: -28.228
bonds (distance) P-C4' energy: -38.916
flat angles C4'-P-C4' energy: -32.889
flat angles P-C4'-P energy: -25.239
tors. eta vs tors. theta energy: -45.317
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: 9
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -591.828784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.828784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.828784 (E_RNA)
where:
Base-Base interactions energy: -404.822
where: short stacking energy: -189.385
Base-Backbone interact. energy: -0.462
local terms energy: -186.545378
where:
bonds (distance) C4'-P energy: -32.160
bonds (distance) P-C4' energy: -32.055
flat angles C4'-P-C4' energy: -41.024
flat angles P-C4'-P energy: -26.822
tors. eta vs tors. theta energy: -54.484
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: 3, replica: 2
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -562.320045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.320045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.320045 (E_RNA)
where:
Base-Base interactions energy: -400.066
where: short stacking energy: -151.538
Base-Backbone interact. energy: -1.124
local terms energy: -161.129884
where:
bonds (distance) C4'-P energy: -28.454
bonds (distance) P-C4' energy: -33.161
flat angles C4'-P-C4' energy: -34.850
flat angles P-C4'-P energy: -23.784
tors. eta vs tors. theta energy: -40.880
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: 6
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -531.484556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.484556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.484556 (E_RNA)
where:
Base-Base interactions energy: -374.120
where: short stacking energy: -166.635
Base-Backbone interact. energy: -0.023
local terms energy: -157.341054
where:
bonds (distance) C4'-P energy: -34.551
bonds (distance) P-C4' energy: -31.970
flat angles C4'-P-C4' energy: -31.216
flat angles P-C4'-P energy: -16.460
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: 5, replica: 8
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -524.989494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.989494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.989494 (E_RNA)
where:
Base-Base interactions energy: -361.595
where: short stacking energy: -153.498
Base-Backbone interact. energy: -0.985
local terms energy: -162.409780
where:
bonds (distance) C4'-P energy: -31.281
bonds (distance) P-C4' energy: -34.395
flat angles C4'-P-C4' energy: -35.557
flat angles P-C4'-P energy: -20.861
tors. eta vs tors. theta energy: -40.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -451.605337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.605337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.605337 (E_RNA)
where:
Base-Base interactions energy: -306.046
where: short stacking energy: -139.650
Base-Backbone interact. energy: -0.341
local terms energy: -145.218863
where:
bonds (distance) C4'-P energy: -31.230
bonds (distance) P-C4' energy: -27.393
flat angles C4'-P-C4' energy: -32.125
flat angles P-C4'-P energy: -21.804
tors. eta vs tors. theta energy: -32.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -465.551770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.551770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.551770 (E_RNA)
where:
Base-Base interactions energy: -338.910
where: short stacking energy: -125.110
Base-Backbone interact. energy: 0.050
local terms energy: -126.691737
where:
bonds (distance) C4'-P energy: -27.907
bonds (distance) P-C4' energy: -26.254
flat angles C4'-P-C4' energy: -27.151
flat angles P-C4'-P energy: -22.500
tors. eta vs tors. theta energy: -22.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -376.514570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.514570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.514570 (E_RNA)
where:
Base-Base interactions energy: -244.789
where: short stacking energy: -105.767
Base-Backbone interact. energy: 1.861
local terms energy: -133.586982
where:
bonds (distance) C4'-P energy: -29.451
bonds (distance) P-C4' energy: -29.600
flat angles C4'-P-C4' energy: -33.612
flat angles P-C4'-P energy: -22.243
tors. eta vs tors. theta energy: -18.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -362.083252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.083252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.083252 (E_RNA)
where:
Base-Base interactions energy: -234.930
where: short stacking energy: -107.865
Base-Backbone interact. energy: 1.686
local terms energy: -128.838705
where:
bonds (distance) C4'-P energy: -25.453
bonds (distance) P-C4' energy: -29.317
flat angles C4'-P-C4' energy: -30.540
flat angles P-C4'-P energy: -18.595
tors. eta vs tors. theta energy: -24.934
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: 3
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -161.892865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.892865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.892865 (E_RNA)
where:
Base-Base interactions energy: -68.520
where: short stacking energy: -48.249
Base-Backbone interact. energy: -1.151
local terms energy: -92.222028
where:
bonds (distance) C4'-P energy: -24.238
bonds (distance) P-C4' energy: -31.131
flat angles C4'-P-C4' energy: -25.077
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -1.004
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: 1
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -602.275644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.275644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.275644 (E_RNA)
where:
Base-Base interactions energy: -425.306
where: short stacking energy: -178.313
Base-Backbone interact. energy: -2.340
local terms energy: -174.629294
where:
bonds (distance) C4'-P energy: -30.652
bonds (distance) P-C4' energy: -36.390
flat angles C4'-P-C4' energy: -35.062
flat angles P-C4'-P energy: -29.930
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: 2, replica: 2
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -580.332899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.332899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.332899 (E_RNA)
where:
Base-Base interactions energy: -401.914
where: short stacking energy: -161.688
Base-Backbone interact. energy: -2.073
local terms energy: -176.346342
where:
bonds (distance) C4'-P energy: -36.046
bonds (distance) P-C4' energy: -36.693
flat angles C4'-P-C4' energy: -32.881
flat angles P-C4'-P energy: -28.290
tors. eta vs tors. theta energy: -42.437
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: 3, replica: 9
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -574.642091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.642091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.642091 (E_RNA)
where:
Base-Base interactions energy: -384.273
where: short stacking energy: -174.084
Base-Backbone interact. energy: -0.682
local terms energy: -189.687043
where:
bonds (distance) C4'-P energy: -38.636
bonds (distance) P-C4' energy: -36.366
flat angles C4'-P-C4' energy: -38.405
flat angles P-C4'-P energy: -24.446
tors. eta vs tors. theta energy: -51.834
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: 4, replica: 6
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -536.192718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.192718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.192718 (E_RNA)
where:
Base-Base interactions energy: -364.795
where: short stacking energy: -157.981
Base-Backbone interact. energy: -0.810
local terms energy: -170.588369
where:
bonds (distance) C4'-P energy: -34.237
bonds (distance) P-C4' energy: -35.830
flat angles C4'-P-C4' energy: -37.542
flat angles P-C4'-P energy: -22.959
tors. eta vs tors. theta energy: -40.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -530.534899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.534899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.534899 (E_RNA)
where:
Base-Base interactions energy: -367.199
where: short stacking energy: -161.464
Base-Backbone interact. energy: 1.126
local terms energy: -164.462180
where:
bonds (distance) C4'-P energy: -23.916
bonds (distance) P-C4' energy: -37.938
flat angles C4'-P-C4' energy: -38.700
flat angles P-C4'-P energy: -18.923
tors. eta vs tors. theta energy: -44.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -456.995962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.995962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.995962 (E_RNA)
where:
Base-Base interactions energy: -306.865
where: short stacking energy: -128.824
Base-Backbone interact. energy: -0.633
local terms energy: -149.498811
where:
bonds (distance) C4'-P energy: -29.049
bonds (distance) P-C4' energy: -31.298
flat angles C4'-P-C4' energy: -36.929
flat angles P-C4'-P energy: -22.704
tors. eta vs tors. theta energy: -29.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -451.778326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.778326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.778326 (E_RNA)
where:
Base-Base interactions energy: -307.591
where: short stacking energy: -131.040
Base-Backbone interact. energy: -0.557
local terms energy: -143.629998
where:
bonds (distance) C4'-P energy: -28.242
bonds (distance) P-C4' energy: -33.072
flat angles C4'-P-C4' energy: -32.036
flat angles P-C4'-P energy: -20.482
tors. eta vs tors. theta energy: -29.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -376.271418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.271418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.271418 (E_RNA)
where:
Base-Base interactions energy: -241.013
where: short stacking energy: -120.783
Base-Backbone interact. energy: -0.263
local terms energy: -134.995291
where:
bonds (distance) C4'-P energy: -30.240
bonds (distance) P-C4' energy: -30.573
flat angles C4'-P-C4' energy: -30.854
flat angles P-C4'-P energy: -20.652
tors. eta vs tors. theta energy: -22.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -354.201171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.201171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.201171 (E_RNA)
where:
Base-Base interactions energy: -225.246
where: short stacking energy: -95.222
Base-Backbone interact. energy: -1.083
local terms energy: -127.872675
where:
bonds (distance) C4'-P energy: -29.245
bonds (distance) P-C4' energy: -34.715
flat angles C4'-P-C4' energy: -29.353
flat angles P-C4'-P energy: -22.101
tors. eta vs tors. theta energy: -12.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -162.669382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.669382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.669382 (E_RNA)
where:
Base-Base interactions energy: -65.100
where: short stacking energy: -58.585
Base-Backbone interact. energy: -0.494
local terms energy: -97.074995
where:
bonds (distance) C4'-P energy: -36.897
bonds (distance) P-C4' energy: -18.945
flat angles C4'-P-C4' energy: -27.859
flat angles P-C4'-P energy: -15.144
tors. eta vs tors. theta energy: 1.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -598.959749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.959749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.959749 (E_RNA)
where:
Base-Base interactions energy: -418.871
where: short stacking energy: -171.147
Base-Backbone interact. energy: -0.778
local terms energy: -179.311310
where:
bonds (distance) C4'-P energy: -33.240
bonds (distance) P-C4' energy: -37.620
flat angles C4'-P-C4' energy: -38.497
flat angles P-C4'-P energy: -27.180
tors. eta vs tors. theta energy: -42.774
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: 438
Temperature: 0.950000
Total energy: -589.925563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.925563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.925563 (E_RNA)
where:
Base-Base interactions energy: -412.254
where: short stacking energy: -176.357
Base-Backbone interact. energy: -2.751
local terms energy: -174.920171
where:
bonds (distance) C4'-P energy: -37.829
bonds (distance) P-C4' energy: -29.427
flat angles C4'-P-C4' energy: -40.095
flat angles P-C4'-P energy: -23.290
tors. eta vs tors. theta energy: -44.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -586.083402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.083402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.083402 (E_RNA)
where:
Base-Base interactions energy: -403.055
where: short stacking energy: -176.918
Base-Backbone interact. energy: -0.305
local terms energy: -182.722665
where:
bonds (distance) C4'-P energy: -31.314
bonds (distance) P-C4' energy: -35.692
flat angles C4'-P-C4' energy: -37.319
flat angles P-C4'-P energy: -26.156
tors. eta vs tors. theta energy: -52.241
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: 438
Temperature: 1.050000
Total energy: -544.878035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.878035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.878035 (E_RNA)
where:
Base-Base interactions energy: -389.953
where: short stacking energy: -166.061
Base-Backbone interact. energy: -0.067
local terms energy: -154.857813
where:
bonds (distance) C4'-P energy: -25.256
bonds (distance) P-C4' energy: -29.647
flat angles C4'-P-C4' energy: -38.298
flat angles P-C4'-P energy: -20.130
tors. eta vs tors. theta energy: -41.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -538.949151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.949151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.949151 (E_RNA)
where:
Base-Base interactions energy: -366.350
where: short stacking energy: -164.668
Base-Backbone interact. energy: -2.245
local terms energy: -170.354663
where:
bonds (distance) C4'-P energy: -31.635
bonds (distance) P-C4' energy: -34.723
flat angles C4'-P-C4' energy: -34.149
flat angles P-C4'-P energy: -24.589
tors. eta vs tors. theta energy: -45.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -458.445313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.445313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.445313 (E_RNA)
where:
Base-Base interactions energy: -310.452
where: short stacking energy: -145.208
Base-Backbone interact. energy: -0.263
local terms energy: -147.730192
where:
bonds (distance) C4'-P energy: -28.780
bonds (distance) P-C4' energy: -32.122
flat angles C4'-P-C4' energy: -35.580
flat angles P-C4'-P energy: -16.584
tors. eta vs tors. theta energy: -34.664
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: 5
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -464.406117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.406117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.406117 (E_RNA)
where:
Base-Base interactions energy: -311.027
where: short stacking energy: -143.417
Base-Backbone interact. energy: -0.146
local terms energy: -153.233296
where:
bonds (distance) C4'-P energy: -30.834
bonds (distance) P-C4' energy: -37.677
flat angles C4'-P-C4' energy: -32.088
flat angles P-C4'-P energy: -18.091
tors. eta vs tors. theta energy: -34.542
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: 438
Temperature: 1.250000
Total energy: -410.347400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.347400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.347400 (E_RNA)
where:
Base-Base interactions energy: -283.694
where: short stacking energy: -120.991
Base-Backbone interact. energy: -0.939
local terms energy: -125.713843
where:
bonds (distance) C4'-P energy: -24.010
bonds (distance) P-C4' energy: -22.981
flat angles C4'-P-C4' energy: -32.507
flat angles P-C4'-P energy: -17.925
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: 9, replica: 10
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -351.002289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.002289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.002289 (E_RNA)
where:
Base-Base interactions energy: -223.160
where: short stacking energy: -98.212
Base-Backbone interact. energy: -1.475
local terms energy: -126.367487
where:
bonds (distance) C4'-P energy: -24.525
bonds (distance) P-C4' energy: -34.369
flat angles C4'-P-C4' energy: -23.625
flat angles P-C4'-P energy: -21.711
tors. eta vs tors. theta energy: -22.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -153.459244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.459244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.459244 (E_RNA)
where:
Base-Base interactions energy: -61.820
where: short stacking energy: -45.762
Base-Backbone interact. energy: 4.123
local terms energy: -95.761819
where:
bonds (distance) C4'-P energy: -25.670
bonds (distance) P-C4' energy: -28.435
flat angles C4'-P-C4' energy: -29.173
flat angles P-C4'-P energy: -14.125
tors. eta vs tors. theta energy: 1.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -609.022962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.022962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.022962 (E_RNA)
where:
Base-Base interactions energy: -435.663
where: short stacking energy: -173.329
Base-Backbone interact. energy: 0.538
local terms energy: -173.898700
where:
bonds (distance) C4'-P energy: -27.966
bonds (distance) P-C4' energy: -33.107
flat angles C4'-P-C4' energy: -40.982
flat angles P-C4'-P energy: -26.703
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: 2, replica: 2
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -584.109042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.109042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.109042 (E_RNA)
where:
Base-Base interactions energy: -407.303
where: short stacking energy: -170.259
Base-Backbone interact. energy: -0.451
local terms energy: -176.354549
where:
bonds (distance) C4'-P energy: -32.009
bonds (distance) P-C4' energy: -36.475
flat angles C4'-P-C4' energy: -37.051
flat angles P-C4'-P energy: -25.262
tors. eta vs tors. theta energy: -45.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -584.059388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.059388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.059388 (E_RNA)
where:
Base-Base interactions energy: -412.269
where: short stacking energy: -179.666
Base-Backbone interact. energy: -0.598
local terms energy: -171.191852
where:
bonds (distance) C4'-P energy: -30.950
bonds (distance) P-C4' energy: -23.585
flat angles C4'-P-C4' energy: -43.083
flat angles P-C4'-P energy: -19.492
tors. eta vs tors. theta energy: -54.082
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: 439
Temperature: 1.050000
Total energy: -541.874388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.874388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.874388 (E_RNA)
where:
Base-Base interactions energy: -371.904
where: short stacking energy: -157.062
Base-Backbone interact. energy: -1.201
local terms energy: -168.769162
where:
bonds (distance) C4'-P energy: -37.584
bonds (distance) P-C4' energy: -34.762
flat angles C4'-P-C4' energy: -33.877
flat angles P-C4'-P energy: -18.808
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: 5, replica: 8
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -522.736569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.736569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.736569 (E_RNA)
where:
Base-Base interactions energy: -356.504
where: short stacking energy: -137.651
Base-Backbone interact. energy: -2.486
local terms energy: -163.746658
where:
bonds (distance) C4'-P energy: -31.452
bonds (distance) P-C4' energy: -37.002
flat angles C4'-P-C4' energy: -32.581
flat angles P-C4'-P energy: -24.493
tors. eta vs tors. theta energy: -38.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -503.850598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.850598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.850598 (E_RNA)
where:
Base-Base interactions energy: -348.088
where: short stacking energy: -150.305
Base-Backbone interact. energy: -0.565
local terms energy: -155.198052
where:
bonds (distance) C4'-P energy: -24.379
bonds (distance) P-C4' energy: -34.853
flat angles C4'-P-C4' energy: -38.637
flat angles P-C4'-P energy: -21.841
tors. eta vs tors. theta energy: -35.488
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: 7
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -445.187549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.187549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.187549 (E_RNA)
where:
Base-Base interactions energy: -292.551
where: short stacking energy: -139.732
Base-Backbone interact. energy: -0.694
local terms energy: -151.942600
where:
bonds (distance) C4'-P energy: -31.331
bonds (distance) P-C4' energy: -32.378
flat angles C4'-P-C4' energy: -31.359
flat angles P-C4'-P energy: -21.345
tors. eta vs tors. theta energy: -35.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -448.679080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.679080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.679080 (E_RNA)
where:
Base-Base interactions energy: -306.503
where: short stacking energy: -129.577
Base-Backbone interact. energy: -0.625
local terms energy: -141.550916
where:
bonds (distance) C4'-P energy: -19.604
bonds (distance) P-C4' energy: -36.459
flat angles C4'-P-C4' energy: -36.790
flat angles P-C4'-P energy: -16.813
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: 9, replica: 10
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -359.889362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.889362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.889362 (E_RNA)
where:
Base-Base interactions energy: -231.143
where: short stacking energy: -112.355
Base-Backbone interact. energy: -0.576
local terms energy: -128.170197
where:
bonds (distance) C4'-P energy: -26.493
bonds (distance) P-C4' energy: -29.810
flat angles C4'-P-C4' energy: -26.807
flat angles P-C4'-P energy: -19.419
tors. eta vs tors. theta energy: -25.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -269.492087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.492087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.492087 (E_RNA)
where:
Base-Base interactions energy: -165.181
where: short stacking energy: -73.743
Base-Backbone interact. energy: -0.742
local terms energy: -103.569711
where:
bonds (distance) C4'-P energy: -22.144
bonds (distance) P-C4' energy: -32.182
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -19.431
tors. eta vs tors. theta energy: -11.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -586.560318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.560318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.560318 (E_RNA)
where:
Base-Base interactions energy: -411.897
where: short stacking energy: -169.718
Base-Backbone interact. energy: -1.195
local terms energy: -173.468354
where:
bonds (distance) C4'-P energy: -33.699
bonds (distance) P-C4' energy: -29.963
flat angles C4'-P-C4' energy: -37.785
flat angles P-C4'-P energy: -27.848
tors. eta vs tors. theta energy: -44.174
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: 1
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -599.237248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.237248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.237248 (E_RNA)
where:
Base-Base interactions energy: -421.918
where: short stacking energy: -168.602
Base-Backbone interact. energy: -0.520
local terms energy: -176.799035
where:
bonds (distance) C4'-P energy: -38.559
bonds (distance) P-C4' energy: -29.071
flat angles C4'-P-C4' energy: -35.312
flat angles P-C4'-P energy: -26.421
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: 3, replica: 9
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -584.010221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.010221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.010221 (E_RNA)
where:
Base-Base interactions energy: -405.893
where: short stacking energy: -185.694
Base-Backbone interact. energy: -1.384
local terms energy: -176.733316
where:
bonds (distance) C4'-P energy: -31.842
bonds (distance) P-C4' energy: -33.620
flat angles C4'-P-C4' energy: -36.894
flat angles P-C4'-P energy: -24.187
tors. eta vs tors. theta energy: -50.191
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: 6
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -544.321491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.321491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.321491 (E_RNA)
where:
Base-Base interactions energy: -368.936
where: short stacking energy: -152.053
Base-Backbone interact. energy: -0.900
local terms energy: -174.485866
where:
bonds (distance) C4'-P energy: -35.861
bonds (distance) P-C4' energy: -29.621
flat angles C4'-P-C4' energy: -37.233
flat angles P-C4'-P energy: -24.288
tors. eta vs tors. theta energy: -47.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -531.650185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.650185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.650185 (E_RNA)
where:
Base-Base interactions energy: -382.636
where: short stacking energy: -169.973
Base-Backbone interact. energy: 0.006
local terms energy: -149.019699
where:
bonds (distance) C4'-P energy: -21.263
bonds (distance) P-C4' energy: -34.774
flat angles C4'-P-C4' energy: -35.420
flat angles P-C4'-P energy: -16.852
tors. eta vs tors. theta energy: -40.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -459.668377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.668377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.668377 (E_RNA)
where:
Base-Base interactions energy: -316.988
where: short stacking energy: -144.285
Base-Backbone interact. energy: -0.641
local terms energy: -142.039060
where:
bonds (distance) C4'-P energy: -34.320
bonds (distance) P-C4' energy: -25.616
flat angles C4'-P-C4' energy: -32.386
flat angles P-C4'-P energy: -21.830
tors. eta vs tors. theta energy: -27.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -458.288497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.288497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.288497 (E_RNA)
where:
Base-Base interactions energy: -308.931
where: short stacking energy: -133.875
Base-Backbone interact. energy: -0.138
local terms energy: -149.219570
where:
bonds (distance) C4'-P energy: -28.330
bonds (distance) P-C4' energy: -29.558
flat angles C4'-P-C4' energy: -33.579
flat angles P-C4'-P energy: -28.432
tors. eta vs tors. theta energy: -29.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -441.303922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.303922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.303922 (E_RNA)
where:
Base-Base interactions energy: -288.367
where: short stacking energy: -120.654
Base-Backbone interact. energy: -1.659
local terms energy: -151.278174
where:
bonds (distance) C4'-P energy: -39.445
bonds (distance) P-C4' energy: -36.356
flat angles C4'-P-C4' energy: -31.878
flat angles P-C4'-P energy: -15.908
tors. eta vs tors. theta energy: -27.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -375.351476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.351476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.351476 (E_RNA)
where:
Base-Base interactions energy: -242.736
where: short stacking energy: -121.975
Base-Backbone interact. energy: 0.604
local terms energy: -133.220156
where:
bonds (distance) C4'-P energy: -28.429
bonds (distance) P-C4' energy: -33.927
flat angles C4'-P-C4' energy: -27.401
flat angles P-C4'-P energy: -15.407
tors. eta vs tors. theta energy: -28.057
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: 3
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -288.466399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.466399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.466399 (E_RNA)
where:
Base-Base interactions energy: -178.792
where: short stacking energy: -83.539
Base-Backbone interact. energy: -0.167
local terms energy: -109.508122
where:
bonds (distance) C4'-P energy: -22.181
bonds (distance) P-C4' energy: -32.827
flat angles C4'-P-C4' energy: -23.701
flat angles P-C4'-P energy: -20.442
tors. eta vs tors. theta energy: -10.358
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: 1, replica: 2
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -590.991461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.991461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.991461 (E_RNA)
where:
Base-Base interactions energy: -404.394
where: short stacking energy: -175.336
Base-Backbone interact. energy: -1.786
local terms energy: -184.811512
where:
bonds (distance) C4'-P energy: -35.467
bonds (distance) P-C4' energy: -33.996
flat angles C4'-P-C4' energy: -41.325
flat angles P-C4'-P energy: -25.787
tors. eta vs tors. theta energy: -48.237
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: 9
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -613.646187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.646187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.646187 (E_RNA)
where:
Base-Base interactions energy: -414.153
where: short stacking energy: -184.268
Base-Backbone interact. energy: -0.076
local terms energy: -199.417256
where:
bonds (distance) C4'-P energy: -36.265
bonds (distance) P-C4' energy: -41.358
flat angles C4'-P-C4' energy: -39.236
flat angles P-C4'-P energy: -29.518
tors. eta vs tors. theta energy: -53.040
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: 441
Temperature: 1.000000
Total energy: -584.712695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.712695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.712695 (E_RNA)
where:
Base-Base interactions energy: -415.927
where: short stacking energy: -158.415
Base-Backbone interact. energy: -2.615
local terms energy: -166.170714
where:
bonds (distance) C4'-P energy: -34.349
bonds (distance) P-C4' energy: -28.578
flat angles C4'-P-C4' energy: -36.241
flat angles P-C4'-P energy: -29.633
tors. eta vs tors. theta energy: -37.369
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: 441
Temperature: 1.050000
Total energy: -531.740676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.740676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.740676 (E_RNA)
where:
Base-Base interactions energy: -370.177
where: short stacking energy: -146.628
Base-Backbone interact. energy: -0.170
local terms energy: -161.393740
where:
bonds (distance) C4'-P energy: -29.381
bonds (distance) P-C4' energy: -32.984
flat angles C4'-P-C4' energy: -36.487
flat angles P-C4'-P energy: -17.243
tors. eta vs tors. theta energy: -45.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -495.689026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.689026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.689026 (E_RNA)
where:
Base-Base interactions energy: -343.373
where: short stacking energy: -147.711
Base-Backbone interact. energy: -0.544
local terms energy: -151.772577
where:
bonds (distance) C4'-P energy: -33.905
bonds (distance) P-C4' energy: -34.671
flat angles C4'-P-C4' energy: -38.188
flat angles P-C4'-P energy: -13.599
tors. eta vs tors. theta energy: -31.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -479.286190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.286190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.286190 (E_RNA)
where:
Base-Base interactions energy: -317.497
where: short stacking energy: -157.012
Base-Backbone interact. energy: -0.808
local terms energy: -160.981309
where:
bonds (distance) C4'-P energy: -33.713
bonds (distance) P-C4' energy: -28.595
flat angles C4'-P-C4' energy: -29.901
flat angles P-C4'-P energy: -25.954
tors. eta vs tors. theta energy: -42.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -443.960096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.960096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.960096 (E_RNA)
where:
Base-Base interactions energy: -300.370
where: short stacking energy: -138.159
Base-Backbone interact. energy: -0.438
local terms energy: -143.151966
where:
bonds (distance) C4'-P energy: -27.021
bonds (distance) P-C4' energy: -32.912
flat angles C4'-P-C4' energy: -31.714
flat angles P-C4'-P energy: -21.211
tors. eta vs tors. theta energy: -30.295
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: 441
Temperature: 1.250000
Total energy: -408.812976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.812976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.812976 (E_RNA)
where:
Base-Base interactions energy: -274.302
where: short stacking energy: -114.118
Base-Backbone interact. energy: 0.292
local terms energy: -134.802890
where:
bonds (distance) C4'-P energy: -36.315
bonds (distance) P-C4' energy: -29.530
flat angles C4'-P-C4' energy: -35.160
flat angles P-C4'-P energy: -13.141
tors. eta vs tors. theta energy: -20.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -335.227834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.227834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.227834 (E_RNA)
where:
Base-Base interactions energy: -200.703
where: short stacking energy: -95.564
Base-Backbone interact. energy: -0.852
local terms energy: -133.673230
where:
bonds (distance) C4'-P energy: -25.169
bonds (distance) P-C4' energy: -35.673
flat angles C4'-P-C4' energy: -34.321
flat angles P-C4'-P energy: -25.289
tors. eta vs tors. theta energy: -13.221
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: 441
Temperature: 1.350000
Total energy: -314.207114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.207114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.207114 (E_RNA)
where:
Base-Base interactions energy: -192.650
where: short stacking energy: -93.911
Base-Backbone interact. energy: -0.724
local terms energy: -120.833375
where:
bonds (distance) C4'-P energy: -28.751
bonds (distance) P-C4' energy: -28.337
flat angles C4'-P-C4' energy: -28.617
flat angles P-C4'-P energy: -20.427
tors. eta vs tors. theta energy: -14.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -607.895081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.895081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.895081 (E_RNA)
where:
Base-Base interactions energy: -415.717
where: short stacking energy: -182.539
Base-Backbone interact. energy: -1.155
local terms energy: -191.022204
where:
bonds (distance) C4'-P energy: -34.846
bonds (distance) P-C4' energy: -34.932
flat angles C4'-P-C4' energy: -38.395
flat angles P-C4'-P energy: -28.546
tors. eta vs tors. theta energy: -54.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -575.956365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.956365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.956365 (E_RNA)
where:
Base-Base interactions energy: -396.961
where: short stacking energy: -171.504
Base-Backbone interact. energy: 0.746
local terms energy: -179.740771
where:
bonds (distance) C4'-P energy: -29.713
bonds (distance) P-C4' energy: -38.702
flat angles C4'-P-C4' energy: -39.473
flat angles P-C4'-P energy: -22.496
tors. eta vs tors. theta energy: -49.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -576.893491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.893491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.893491 (E_RNA)
where:
Base-Base interactions energy: -405.578
where: short stacking energy: -157.725
Base-Backbone interact. energy: -1.703
local terms energy: -169.612221
where:
bonds (distance) C4'-P energy: -32.802
bonds (distance) P-C4' energy: -31.979
flat angles C4'-P-C4' energy: -37.157
flat angles P-C4'-P energy: -21.783
tors. eta vs tors. theta energy: -45.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -545.645578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.645578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.645578 (E_RNA)
where:
Base-Base interactions energy: -386.142
where: short stacking energy: -152.791
Base-Backbone interact. energy: -0.693
local terms energy: -158.810272
where:
bonds (distance) C4'-P energy: -29.486
bonds (distance) P-C4' energy: -31.824
flat angles C4'-P-C4' energy: -30.962
flat angles P-C4'-P energy: -21.411
tors. eta vs tors. theta energy: -45.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -511.891351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.891351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.891351 (E_RNA)
where:
Base-Base interactions energy: -357.827
where: short stacking energy: -140.708
Base-Backbone interact. energy: 0.107
local terms energy: -154.171220
where:
bonds (distance) C4'-P energy: -23.706
bonds (distance) P-C4' energy: -38.273
flat angles C4'-P-C4' energy: -35.983
flat angles P-C4'-P energy: -23.301
tors. eta vs tors. theta energy: -32.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -463.747973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.747973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.747973 (E_RNA)
where:
Base-Base interactions energy: -326.511
where: short stacking energy: -133.260
Base-Backbone interact. energy: -1.222
local terms energy: -136.015024
where:
bonds (distance) C4'-P energy: -27.973
bonds (distance) P-C4' energy: -25.510
flat angles C4'-P-C4' energy: -32.463
flat angles P-C4'-P energy: -17.744
tors. eta vs tors. theta energy: -32.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -429.022105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.022105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.022105 (E_RNA)
where:
Base-Base interactions energy: -281.951
where: short stacking energy: -117.592
Base-Backbone interact. energy: -0.684
local terms energy: -146.387151
where:
bonds (distance) C4'-P energy: -26.518
bonds (distance) P-C4' energy: -36.725
flat angles C4'-P-C4' energy: -37.105
flat angles P-C4'-P energy: -24.777
tors. eta vs tors. theta energy: -21.263
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: 7
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -396.233718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.233718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.233718 (E_RNA)
where:
Base-Base interactions energy: -259.290
where: short stacking energy: -108.080
Base-Backbone interact. energy: -0.381
local terms energy: -136.563104
where:
bonds (distance) C4'-P energy: -32.842
bonds (distance) P-C4' energy: -31.364
flat angles C4'-P-C4' energy: -27.609
flat angles P-C4'-P energy: -21.446
tors. eta vs tors. theta energy: -23.302
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: 3
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -301.688804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.688804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.688804 (E_RNA)
where:
Base-Base interactions energy: -181.375
where: short stacking energy: -90.097
Base-Backbone interact. energy: -0.413
local terms energy: -119.900813
where:
bonds (distance) C4'-P energy: -21.358
bonds (distance) P-C4' energy: -33.590
flat angles C4'-P-C4' energy: -23.513
flat angles P-C4'-P energy: -19.055
tors. eta vs tors. theta energy: -22.384
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: 10, replica: 10
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -303.674328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.674328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.674328 (E_RNA)
where:
Base-Base interactions energy: -181.346
where: short stacking energy: -84.319
Base-Backbone interact. energy: -0.903
local terms energy: -121.425283
where:
bonds (distance) C4'-P energy: -31.145
bonds (distance) P-C4' energy: -28.671
flat angles C4'-P-C4' energy: -29.932
flat angles P-C4'-P energy: -19.813
tors. eta vs tors. theta energy: -11.864
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: 9
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -606.995980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.995980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.995980 (E_RNA)
where:
Base-Base interactions energy: -425.593
where: short stacking energy: -192.925
Base-Backbone interact. energy: -0.624
local terms energy: -180.779273
where:
bonds (distance) C4'-P energy: -27.102
bonds (distance) P-C4' energy: -30.774
flat angles C4'-P-C4' energy: -41.003
flat angles P-C4'-P energy: -29.487
tors. eta vs tors. theta energy: -52.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -603.542425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.542425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.542425 (E_RNA)
where:
Base-Base interactions energy: -427.587
where: short stacking energy: -172.969
Base-Backbone interact. energy: 1.916
local terms energy: -177.871067
where:
bonds (distance) C4'-P energy: -31.620
bonds (distance) P-C4' energy: -36.027
flat angles C4'-P-C4' energy: -41.319
flat angles P-C4'-P energy: -22.082
tors. eta vs tors. theta energy: -46.823
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: 2
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -573.316582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.316582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.316582 (E_RNA)
where:
Base-Base interactions energy: -401.682
where: short stacking energy: -172.810
Base-Backbone interact. energy: -1.604
local terms energy: -170.031088
where:
bonds (distance) C4'-P energy: -37.003
bonds (distance) P-C4' energy: -30.594
flat angles C4'-P-C4' energy: -34.318
flat angles P-C4'-P energy: -22.921
tors. eta vs tors. theta energy: -45.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -532.289536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.289536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.289536 (E_RNA)
where:
Base-Base interactions energy: -365.865
where: short stacking energy: -160.227
Base-Backbone interact. energy: -0.113
local terms energy: -166.310937
where:
bonds (distance) C4'-P energy: -31.633
bonds (distance) P-C4' energy: -35.130
flat angles C4'-P-C4' energy: -33.858
flat angles P-C4'-P energy: -24.733
tors. eta vs tors. theta energy: -40.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -533.204880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.204880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.204880 (E_RNA)
where:
Base-Base interactions energy: -368.784
where: short stacking energy: -161.945
Base-Backbone interact. energy: -0.716
local terms energy: -163.704440
where:
bonds (distance) C4'-P energy: -29.807
bonds (distance) P-C4' energy: -36.477
flat angles C4'-P-C4' energy: -30.831
flat angles P-C4'-P energy: -24.155
tors. eta vs tors. theta energy: -42.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -459.936233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.936233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.936233 (E_RNA)
where:
Base-Base interactions energy: -316.849
where: short stacking energy: -125.573
Base-Backbone interact. energy: -0.667
local terms energy: -142.420606
where:
bonds (distance) C4'-P energy: -24.090
bonds (distance) P-C4' energy: -34.128
flat angles C4'-P-C4' energy: -27.185
flat angles P-C4'-P energy: -25.241
tors. eta vs tors. theta energy: -31.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -439.042417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.042417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.042417 (E_RNA)
where:
Base-Base interactions energy: -302.526
where: short stacking energy: -134.167
Base-Backbone interact. energy: 3.405
local terms energy: -139.921010
where:
bonds (distance) C4'-P energy: -35.435
bonds (distance) P-C4' energy: -33.615
flat angles C4'-P-C4' energy: -28.089
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -32.658
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: 7
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -403.957638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.957638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.957638 (E_RNA)
where:
Base-Base interactions energy: -265.635
where: short stacking energy: -120.654
Base-Backbone interact. energy: -0.388
local terms energy: -137.934264
where:
bonds (distance) C4'-P energy: -24.652
bonds (distance) P-C4' energy: -28.826
flat angles C4'-P-C4' energy: -34.848
flat angles P-C4'-P energy: -22.375
tors. eta vs tors. theta energy: -27.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -310.580722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.580722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.580722 (E_RNA)
where:
Base-Base interactions energy: -187.922
where: short stacking energy: -90.003
Base-Backbone interact. energy: -1.232
local terms energy: -121.426686
where:
bonds (distance) C4'-P energy: -28.383
bonds (distance) P-C4' energy: -21.892
flat angles C4'-P-C4' energy: -31.542
flat angles P-C4'-P energy: -18.403
tors. eta vs tors. theta energy: -21.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -283.273499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.273499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.273499 (E_RNA)
where:
Base-Base interactions energy: -179.763
where: short stacking energy: -79.843
Base-Backbone interact. energy: 1.100
local terms energy: -104.609772
where:
bonds (distance) C4'-P energy: -31.983
bonds (distance) P-C4' energy: -33.252
flat angles C4'-P-C4' energy: -23.825
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -3.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -610.439979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.439979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.439979 (E_RNA)
where:
Base-Base interactions energy: -421.159
where: short stacking energy: -197.275
Base-Backbone interact. energy: -0.830
local terms energy: -188.450524
where:
bonds (distance) C4'-P energy: -32.108
bonds (distance) P-C4' energy: -36.058
flat angles C4'-P-C4' energy: -38.883
flat angles P-C4'-P energy: -28.800
tors. eta vs tors. theta energy: -52.601
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: 1
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -601.725944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.725944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.725944 (E_RNA)
where:
Base-Base interactions energy: -424.515
where: short stacking energy: -174.296
Base-Backbone interact. energy: -1.685
local terms energy: -175.526596
where:
bonds (distance) C4'-P energy: -33.524
bonds (distance) P-C4' energy: -31.588
flat angles C4'-P-C4' energy: -34.071
flat angles P-C4'-P energy: -26.519
tors. eta vs tors. theta energy: -49.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -560.725676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.725676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.725676 (E_RNA)
where:
Base-Base interactions energy: -382.876
where: short stacking energy: -169.798
Base-Backbone interact. energy: -1.590
local terms energy: -176.259199
where:
bonds (distance) C4'-P energy: -34.950
bonds (distance) P-C4' energy: -33.174
flat angles C4'-P-C4' energy: -36.504
flat angles P-C4'-P energy: -26.049
tors. eta vs tors. theta energy: -45.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -541.382467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.382467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.382467 (E_RNA)
where:
Base-Base interactions energy: -373.063
where: short stacking energy: -164.001
Base-Backbone interact. energy: -2.726
local terms energy: -165.593969
where:
bonds (distance) C4'-P energy: -32.021
bonds (distance) P-C4' energy: -34.649
flat angles C4'-P-C4' energy: -32.922
flat angles P-C4'-P energy: -25.621
tors. eta vs tors. theta energy: -40.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -525.018016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.018016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.018016 (E_RNA)
where:
Base-Base interactions energy: -369.550
where: short stacking energy: -155.641
Base-Backbone interact. energy: -1.010
local terms energy: -154.458195
where:
bonds (distance) C4'-P energy: -27.649
bonds (distance) P-C4' energy: -31.842
flat angles C4'-P-C4' energy: -32.593
flat angles P-C4'-P energy: -19.636
tors. eta vs tors. theta energy: -42.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -501.364209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.364209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.364209 (E_RNA)
where:
Base-Base interactions energy: -340.271
where: short stacking energy: -151.717
Base-Backbone interact. energy: -0.849
local terms energy: -160.244038
where:
bonds (distance) C4'-P energy: -29.832
bonds (distance) P-C4' energy: -33.010
flat angles C4'-P-C4' energy: -33.803
flat angles P-C4'-P energy: -30.505
tors. eta vs tors. theta energy: -33.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -449.785413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.785413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.785413 (E_RNA)
where:
Base-Base interactions energy: -298.154
where: short stacking energy: -128.080
Base-Backbone interact. energy: -1.798
local terms energy: -149.833409
where:
bonds (distance) C4'-P energy: -27.527
bonds (distance) P-C4' energy: -29.087
flat angles C4'-P-C4' energy: -36.158
flat angles P-C4'-P energy: -22.318
tors. eta vs tors. theta energy: -34.745
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: 7
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -388.901543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.901543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.901543 (E_RNA)
where:
Base-Base interactions energy: -266.321
where: short stacking energy: -122.826
Base-Backbone interact. energy: -0.490
local terms energy: -122.090204
where:
bonds (distance) C4'-P energy: -27.989
bonds (distance) P-C4' energy: -25.635
flat angles C4'-P-C4' energy: -29.403
flat angles P-C4'-P energy: -17.406
tors. eta vs tors. theta energy: -21.656
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: 3
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -303.636201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.636201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.636201 (E_RNA)
where:
Base-Base interactions energy: -193.310
where: short stacking energy: -83.788
Base-Backbone interact. energy: -0.461
local terms energy: -109.865086
where:
bonds (distance) C4'-P energy: -28.789
bonds (distance) P-C4' energy: -34.351
flat angles C4'-P-C4' energy: -22.420
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -15.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -257.493769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.493769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.493769 (E_RNA)
where:
Base-Base interactions energy: -139.535
where: short stacking energy: -84.722
Base-Backbone interact. energy: -0.073
local terms energy: -117.885154
where:
bonds (distance) C4'-P energy: -30.930
bonds (distance) P-C4' energy: -29.034
flat angles C4'-P-C4' energy: -33.962
flat angles P-C4'-P energy: -18.157
tors. eta vs tors. theta energy: -5.802
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: 9
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -615.528878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.528878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.528878 (E_RNA)
where:
Base-Base interactions energy: -413.413
where: short stacking energy: -184.572
Base-Backbone interact. energy: -2.273
local terms energy: -199.843539
where:
bonds (distance) C4'-P energy: -34.921
bonds (distance) P-C4' energy: -36.209
flat angles C4'-P-C4' energy: -41.144
flat angles P-C4'-P energy: -30.637
tors. eta vs tors. theta energy: -56.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -580.368611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.368611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.368611 (E_RNA)
where:
Base-Base interactions energy: -401.594
where: short stacking energy: -164.319
Base-Backbone interact. energy: -0.275
local terms energy: -178.499465
where:
bonds (distance) C4'-P energy: -38.262
bonds (distance) P-C4' energy: -36.813
flat angles C4'-P-C4' energy: -32.675
flat angles P-C4'-P energy: -31.126
tors. eta vs tors. theta energy: -39.624
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: 1
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -570.226729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.226729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.226729 (E_RNA)
where:
Base-Base interactions energy: -401.976
where: short stacking energy: -164.445
Base-Backbone interact. energy: -1.430
local terms energy: -166.820706
where:
bonds (distance) C4'-P energy: -35.635
bonds (distance) P-C4' energy: -30.011
flat angles C4'-P-C4' energy: -39.373
flat angles P-C4'-P energy: -16.176
tors. eta vs tors. theta energy: -45.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -540.599253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.599253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.599253 (E_RNA)
where:
Base-Base interactions energy: -378.860
where: short stacking energy: -151.668
Base-Backbone interact. energy: -1.623
local terms energy: -160.116558
where:
bonds (distance) C4'-P energy: -28.051
bonds (distance) P-C4' energy: -35.326
flat angles C4'-P-C4' energy: -32.360
flat angles P-C4'-P energy: -27.184
tors. eta vs tors. theta energy: -37.195
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: 8
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -521.075176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.075176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.075176 (E_RNA)
where:
Base-Base interactions energy: -357.599
where: short stacking energy: -154.306
Base-Backbone interact. energy: -0.735
local terms energy: -162.741365
where:
bonds (distance) C4'-P energy: -28.073
bonds (distance) P-C4' energy: -32.113
flat angles C4'-P-C4' energy: -39.785
flat angles P-C4'-P energy: -20.894
tors. eta vs tors. theta energy: -41.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -516.070376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.070376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.070376 (E_RNA)
where:
Base-Base interactions energy: -371.319
where: short stacking energy: -157.465
Base-Backbone interact. energy: 1.338
local terms energy: -146.089665
where:
bonds (distance) C4'-P energy: -26.272
bonds (distance) P-C4' energy: -27.274
flat angles C4'-P-C4' energy: -34.196
flat angles P-C4'-P energy: -17.734
tors. eta vs tors. theta energy: -40.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -443.357706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.357706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.357706 (E_RNA)
where:
Base-Base interactions energy: -300.443
where: short stacking energy: -118.944
Base-Backbone interact. energy: 0.502
local terms energy: -143.416552
where:
bonds (distance) C4'-P energy: -26.487
bonds (distance) P-C4' energy: -31.526
flat angles C4'-P-C4' energy: -28.531
flat angles P-C4'-P energy: -21.528
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: 8, replica: 7
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -349.526634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.526634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.526634 (E_RNA)
where:
Base-Base interactions energy: -222.495
where: short stacking energy: -102.846
Base-Backbone interact. energy: -0.364
local terms energy: -126.667355
where:
bonds (distance) C4'-P energy: -35.582
bonds (distance) P-C4' energy: -26.139
flat angles C4'-P-C4' energy: -21.873
flat angles P-C4'-P energy: -23.440
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: 9, replica: 3
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -346.798680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.798680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.798680 (E_RNA)
where:
Base-Base interactions energy: -221.869
where: short stacking energy: -90.443
Base-Backbone interact. energy: -0.546
local terms energy: -124.384128
where:
bonds (distance) C4'-P energy: -27.711
bonds (distance) P-C4' energy: -28.686
flat angles C4'-P-C4' energy: -24.409
flat angles P-C4'-P energy: -25.372
tors. eta vs tors. theta energy: -18.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -210.113994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.113994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.113994 (E_RNA)
where:
Base-Base interactions energy: -99.928
where: short stacking energy: -66.236
Base-Backbone interact. energy: -1.972
local terms energy: -108.214388
where:
bonds (distance) C4'-P energy: -32.017
bonds (distance) P-C4' energy: -30.393
flat angles C4'-P-C4' energy: -22.859
flat angles P-C4'-P energy: -19.889
tors. eta vs tors. theta energy: -3.056
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: 9
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -606.364295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.364295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.364295 (E_RNA)
where:
Base-Base interactions energy: -413.986
where: short stacking energy: -182.904
Base-Backbone interact. energy: -0.043
local terms energy: -192.335685
where:
bonds (distance) C4'-P energy: -36.944
bonds (distance) P-C4' energy: -33.401
flat angles C4'-P-C4' energy: -34.587
flat angles P-C4'-P energy: -30.254
tors. eta vs tors. theta energy: -57.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -588.086927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.086927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.086927 (E_RNA)
where:
Base-Base interactions energy: -412.454
where: short stacking energy: -156.638
Base-Backbone interact. energy: -0.988
local terms energy: -174.644472
where:
bonds (distance) C4'-P energy: -38.071
bonds (distance) P-C4' energy: -30.777
flat angles C4'-P-C4' energy: -37.098
flat angles P-C4'-P energy: -26.238
tors. eta vs tors. theta energy: -42.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -575.948845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.948845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.948845 (E_RNA)
where:
Base-Base interactions energy: -403.772
where: short stacking energy: -176.242
Base-Backbone interact. energy: -1.987
local terms energy: -170.189976
where:
bonds (distance) C4'-P energy: -33.393
bonds (distance) P-C4' energy: -28.644
flat angles C4'-P-C4' energy: -37.992
flat angles P-C4'-P energy: -27.046
tors. eta vs tors. theta energy: -43.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -527.297340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.297340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.297340 (E_RNA)
where:
Base-Base interactions energy: -372.135
where: short stacking energy: -166.410
Base-Backbone interact. energy: -0.781
local terms energy: -154.380946
where:
bonds (distance) C4'-P energy: -33.522
bonds (distance) P-C4' energy: -21.346
flat angles C4'-P-C4' energy: -36.214
flat angles P-C4'-P energy: -24.495
tors. eta vs tors. theta energy: -38.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -526.645503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.645503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.645503 (E_RNA)
where:
Base-Base interactions energy: -354.626
where: short stacking energy: -153.224
Base-Backbone interact. energy: -0.615
local terms energy: -171.404858
where:
bonds (distance) C4'-P energy: -37.749
bonds (distance) P-C4' energy: -28.141
flat angles C4'-P-C4' energy: -36.956
flat angles P-C4'-P energy: -24.678
tors. eta vs tors. theta energy: -43.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -526.805628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.805628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.805628 (E_RNA)
where:
Base-Base interactions energy: -367.471
where: short stacking energy: -170.846
Base-Backbone interact. energy: 3.309
local terms energy: -162.643807
where:
bonds (distance) C4'-P energy: -25.642
bonds (distance) P-C4' energy: -31.071
flat angles C4'-P-C4' energy: -32.570
flat angles P-C4'-P energy: -26.956
tors. eta vs tors. theta energy: -46.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -465.388857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.388857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.388857 (E_RNA)
where:
Base-Base interactions energy: -318.962
where: short stacking energy: -132.746
Base-Backbone interact. energy: -1.990
local terms energy: -144.436917
where:
bonds (distance) C4'-P energy: -24.422
bonds (distance) P-C4' energy: -29.998
flat angles C4'-P-C4' energy: -30.315
flat angles P-C4'-P energy: -22.807
tors. eta vs tors. theta energy: -36.895
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: 7
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -347.899720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.899720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.899720 (E_RNA)
where:
Base-Base interactions energy: -231.604
where: short stacking energy: -119.543
Base-Backbone interact. energy: -0.326
local terms energy: -115.969652
where:
bonds (distance) C4'-P energy: -24.518
bonds (distance) P-C4' energy: -28.559
flat angles C4'-P-C4' energy: -21.615
flat angles P-C4'-P energy: -19.241
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: 9, replica: 3
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -300.065451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.065451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.065451 (E_RNA)
where:
Base-Base interactions energy: -196.001
where: short stacking energy: -88.761
Base-Backbone interact. energy: -0.605
local terms energy: -103.459130
where:
bonds (distance) C4'-P energy: -28.735
bonds (distance) P-C4' energy: -29.620
flat angles C4'-P-C4' energy: -21.296
flat angles P-C4'-P energy: -18.087
tors. eta vs tors. theta energy: -5.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -212.087175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.087175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.087175 (E_RNA)
where:
Base-Base interactions energy: -109.069
where: short stacking energy: -62.198
Base-Backbone interact. energy: 0.229
local terms energy: -103.247123
where:
bonds (distance) C4'-P energy: -28.338
bonds (distance) P-C4' energy: -30.277
flat angles C4'-P-C4' energy: -17.998
flat angles P-C4'-P energy: -16.312
tors. eta vs tors. theta energy: -10.323
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: 447
Temperature: 0.900000
Total energy: -614.129660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.129660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.129660 (E_RNA)
where:
Base-Base interactions energy: -419.192
where: short stacking energy: -187.727
Base-Backbone interact. energy: -0.010
local terms energy: -194.927295
where:
bonds (distance) C4'-P energy: -37.612
bonds (distance) P-C4' energy: -30.775
flat angles C4'-P-C4' energy: -41.054
flat angles P-C4'-P energy: -27.612
tors. eta vs tors. theta energy: -57.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -591.543436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.543436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.543436 (E_RNA)
where:
Base-Base interactions energy: -411.159
where: short stacking energy: -169.535
Base-Backbone interact. energy: -0.767
local terms energy: -179.617034
where:
bonds (distance) C4'-P energy: -33.560
bonds (distance) P-C4' energy: -35.749
flat angles C4'-P-C4' energy: -41.380
flat angles P-C4'-P energy: -23.561
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: 3, replica: 1
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -580.322597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.322597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.322597 (E_RNA)
where:
Base-Base interactions energy: -399.991
where: short stacking energy: -172.649
Base-Backbone interact. energy: -0.999
local terms energy: -179.332838
where:
bonds (distance) C4'-P energy: -38.886
bonds (distance) P-C4' energy: -27.043
flat angles C4'-P-C4' energy: -37.775
flat angles P-C4'-P energy: -29.462
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: 5
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -544.985982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.985982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.985982 (E_RNA)
where:
Base-Base interactions energy: -381.789
where: short stacking energy: -172.192
Base-Backbone interact. energy: -0.766
local terms energy: -162.430642
where:
bonds (distance) C4'-P energy: -26.995
bonds (distance) P-C4' energy: -30.896
flat angles C4'-P-C4' energy: -30.852
flat angles P-C4'-P energy: -21.839
tors. eta vs tors. theta energy: -51.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -511.061463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.061463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.061463 (E_RNA)
where:
Base-Base interactions energy: -355.874
where: short stacking energy: -149.806
Base-Backbone interact. energy: -2.486
local terms energy: -152.701782
where:
bonds (distance) C4'-P energy: -22.282
bonds (distance) P-C4' energy: -33.254
flat angles C4'-P-C4' energy: -37.989
flat angles P-C4'-P energy: -26.343
tors. eta vs tors. theta energy: -32.833
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: 447
Temperature: 1.150000
Total energy: -501.193177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.193177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.193177 (E_RNA)
where:
Base-Base interactions energy: -343.442
where: short stacking energy: -144.761
Base-Backbone interact. energy: -0.847
local terms energy: -156.903704
where:
bonds (distance) C4'-P energy: -31.824
bonds (distance) P-C4' energy: -36.470
flat angles C4'-P-C4' energy: -31.228
flat angles P-C4'-P energy: -24.225
tors. eta vs tors. theta energy: -33.156
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: 7, replica: 4
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -481.294745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.294745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.294745 (E_RNA)
where:
Base-Base interactions energy: -354.814
where: short stacking energy: -130.565
Base-Backbone interact. energy: 1.225
local terms energy: -127.705085
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -28.010
flat angles C4'-P-C4' energy: -26.020
flat angles P-C4'-P energy: -26.953
tors. eta vs tors. theta energy: -29.573
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: 7
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -343.870584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.870584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.870584 (E_RNA)
where:
Base-Base interactions energy: -214.774
where: short stacking energy: -102.683
Base-Backbone interact. energy: -1.143
local terms energy: -127.954199
where:
bonds (distance) C4'-P energy: -34.063
bonds (distance) P-C4' energy: -29.258
flat angles C4'-P-C4' energy: -27.885
flat angles P-C4'-P energy: -24.111
tors. eta vs tors. theta energy: -12.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -303.618666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.618666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.618666 (E_RNA)
where:
Base-Base interactions energy: -186.548
where: short stacking energy: -86.099
Base-Backbone interact. energy: -1.301
local terms energy: -115.770223
where:
bonds (distance) C4'-P energy: -30.886
bonds (distance) P-C4' energy: -25.507
flat angles C4'-P-C4' energy: -26.120
flat angles P-C4'-P energy: -22.646
tors. eta vs tors. theta energy: -10.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -244.116462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.116462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.116462 (E_RNA)
where:
Base-Base interactions energy: -130.928
where: short stacking energy: -70.897
Base-Backbone interact. energy: 2.706
local terms energy: -115.894564
where:
bonds (distance) C4'-P energy: -24.844
bonds (distance) P-C4' energy: -35.294
flat angles C4'-P-C4' energy: -30.296
flat angles P-C4'-P energy: -19.051
tors. eta vs tors. theta energy: -6.410
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: 2
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -602.938345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.938345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.938345 (E_RNA)
where:
Base-Base interactions energy: -424.939
where: short stacking energy: -175.744
Base-Backbone interact. energy: 0.160
local terms energy: -178.158988
where:
bonds (distance) C4'-P energy: -30.925
bonds (distance) P-C4' energy: -33.160
flat angles C4'-P-C4' energy: -37.941
flat angles P-C4'-P energy: -27.703
tors. eta vs tors. theta energy: -48.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -594.135845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.135845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.135845 (E_RNA)
where:
Base-Base interactions energy: -416.401
where: short stacking energy: -191.599
Base-Backbone interact. energy: -0.045
local terms energy: -177.689795
where:
bonds (distance) C4'-P energy: -32.255
bonds (distance) P-C4' energy: -34.219
flat angles C4'-P-C4' energy: -31.861
flat angles P-C4'-P energy: -24.799
tors. eta vs tors. theta energy: -54.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -558.254386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.254386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.254386 (E_RNA)
where:
Base-Base interactions energy: -386.768
where: short stacking energy: -173.139
Base-Backbone interact. energy: -1.113
local terms energy: -170.374180
where:
bonds (distance) C4'-P energy: -30.378
bonds (distance) P-C4' energy: -36.267
flat angles C4'-P-C4' energy: -33.138
flat angles P-C4'-P energy: -21.470
tors. eta vs tors. theta energy: -49.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -549.199066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.199066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.199066 (E_RNA)
where:
Base-Base interactions energy: -372.378
where: short stacking energy: -142.352
Base-Backbone interact. energy: -0.508
local terms energy: -176.313518
where:
bonds (distance) C4'-P energy: -35.484
bonds (distance) P-C4' energy: -37.440
flat angles C4'-P-C4' energy: -37.756
flat angles P-C4'-P energy: -24.343
tors. eta vs tors. theta energy: -41.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -533.145122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.145122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.145122 (E_RNA)
where:
Base-Base interactions energy: -365.014
where: short stacking energy: -154.945
Base-Backbone interact. energy: -0.144
local terms energy: -167.987324
where:
bonds (distance) C4'-P energy: -35.959
bonds (distance) P-C4' energy: -27.752
flat angles C4'-P-C4' energy: -37.619
flat angles P-C4'-P energy: -22.037
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: 6, replica: 8
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -507.593169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.593169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.593169 (E_RNA)
where:
Base-Base interactions energy: -345.611
where: short stacking energy: -138.553
Base-Backbone interact. energy: -0.719
local terms energy: -161.262877
where:
bonds (distance) C4'-P energy: -27.619
bonds (distance) P-C4' energy: -41.827
flat angles C4'-P-C4' energy: -29.979
flat angles P-C4'-P energy: -23.317
tors. eta vs tors. theta energy: -38.521
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: 448
Temperature: 1.200000
Total energy: -463.948686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.948686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.948686 (E_RNA)
where:
Base-Base interactions energy: -323.756
where: short stacking energy: -136.698
Base-Backbone interact. energy: -1.048
local terms energy: -139.145316
where:
bonds (distance) C4'-P energy: -28.769
bonds (distance) P-C4' energy: -24.774
flat angles C4'-P-C4' energy: -32.048
flat angles P-C4'-P energy: -28.128
tors. eta vs tors. theta energy: -25.426
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: 7
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -344.450599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.450599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.450599 (E_RNA)
where:
Base-Base interactions energy: -210.221
where: short stacking energy: -103.398
Base-Backbone interact. energy: -0.634
local terms energy: -133.595978
where:
bonds (distance) C4'-P energy: -21.676
bonds (distance) P-C4' energy: -36.796
flat angles C4'-P-C4' energy: -31.541
flat angles P-C4'-P energy: -22.783
tors. eta vs tors. theta energy: -20.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -271.895536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.895536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.895536 (E_RNA)
where:
Base-Base interactions energy: -165.259
where: short stacking energy: -78.295
Base-Backbone interact. energy: -0.422
local terms energy: -106.214523
where:
bonds (distance) C4'-P energy: -27.842
bonds (distance) P-C4' energy: -27.326
flat angles C4'-P-C4' energy: -25.396
flat angles P-C4'-P energy: -19.314
tors. eta vs tors. theta energy: -6.337
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: 3
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -279.705481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.705481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.705481 (E_RNA)
where:
Base-Base interactions energy: -178.841
where: short stacking energy: -81.420
Base-Backbone interact. energy: -0.797
local terms energy: -100.067719
where:
bonds (distance) C4'-P energy: -33.207
bonds (distance) P-C4' energy: -29.993
flat angles C4'-P-C4' energy: -17.888
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: -6.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -607.441052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.441052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.441052 (E_RNA)
where:
Base-Base interactions energy: -425.057
where: short stacking energy: -179.656
Base-Backbone interact. energy: -3.667
local terms energy: -178.716387
where:
bonds (distance) C4'-P energy: -31.446
bonds (distance) P-C4' energy: -34.253
flat angles C4'-P-C4' energy: -39.576
flat angles P-C4'-P energy: -24.541
tors. eta vs tors. theta energy: -48.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -594.380369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.380369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.380369 (E_RNA)
where:
Base-Base interactions energy: -400.695
where: short stacking energy: -191.144
Base-Backbone interact. energy: -0.406
local terms energy: -193.278797
where:
bonds (distance) C4'-P energy: -36.634
bonds (distance) P-C4' energy: -37.288
flat angles C4'-P-C4' energy: -38.988
flat angles P-C4'-P energy: -23.298
tors. eta vs tors. theta energy: -57.070
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: 3, replica: 5
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -564.469466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.469466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.469466 (E_RNA)
where:
Base-Base interactions energy: -383.832
where: short stacking energy: -160.034
Base-Backbone interact. energy: 0.674
local terms energy: -181.311427
where:
bonds (distance) C4'-P energy: -30.156
bonds (distance) P-C4' energy: -38.344
flat angles C4'-P-C4' energy: -35.793
flat angles P-C4'-P energy: -27.163
tors. eta vs tors. theta energy: -49.855
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: 6
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -535.763003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.763003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.763003 (E_RNA)
where:
Base-Base interactions energy: -372.951
where: short stacking energy: -161.773
Base-Backbone interact. energy: -0.058
local terms energy: -162.754537
where:
bonds (distance) C4'-P energy: -30.550
bonds (distance) P-C4' energy: -27.573
flat angles C4'-P-C4' energy: -38.740
flat angles P-C4'-P energy: -20.670
tors. eta vs tors. theta energy: -45.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -541.698344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.698344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.698344 (E_RNA)
where:
Base-Base interactions energy: -383.713
where: short stacking energy: -151.843
Base-Backbone interact. energy: -0.731
local terms energy: -157.254538
where:
bonds (distance) C4'-P energy: -29.507
bonds (distance) P-C4' energy: -32.586
flat angles C4'-P-C4' energy: -37.115
flat angles P-C4'-P energy: -22.242
tors. eta vs tors. theta energy: -35.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -505.621215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.621215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.621215 (E_RNA)
where:
Base-Base interactions energy: -350.677
where: short stacking energy: -145.792
Base-Backbone interact. energy: -0.311
local terms energy: -154.633626
where:
bonds (distance) C4'-P energy: -31.494
bonds (distance) P-C4' energy: -31.850
flat angles C4'-P-C4' energy: -28.998
flat angles P-C4'-P energy: -19.490
tors. eta vs tors. theta energy: -42.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -459.675781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.675781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.675781 (E_RNA)
where:
Base-Base interactions energy: -313.724
where: short stacking energy: -123.773
Base-Backbone interact. energy: -0.799
local terms energy: -145.152921
where:
bonds (distance) C4'-P energy: -31.104
bonds (distance) P-C4' energy: -35.214
flat angles C4'-P-C4' energy: -26.245
flat angles P-C4'-P energy: -18.860
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: 8, replica: 7
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -348.094884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.094884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.094884 (E_RNA)
where:
Base-Base interactions energy: -222.787
where: short stacking energy: -111.290
Base-Backbone interact. energy: -1.320
local terms energy: -123.987594
where:
bonds (distance) C4'-P energy: -22.353
bonds (distance) P-C4' energy: -35.780
flat angles C4'-P-C4' energy: -29.251
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -22.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -242.787102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.787102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.787102 (E_RNA)
where:
Base-Base interactions energy: -148.042
where: short stacking energy: -79.517
Base-Backbone interact. energy: 0.329
local terms energy: -95.073900
where:
bonds (distance) C4'-P energy: -26.187
bonds (distance) P-C4' energy: -28.802
flat angles C4'-P-C4' energy: -24.798
flat angles P-C4'-P energy: -14.493
tors. eta vs tors. theta energy: -0.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -272.622318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.622318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.622318 (E_RNA)
where:
Base-Base interactions energy: -168.606
where: short stacking energy: -82.657
Base-Backbone interact. energy: -0.494
local terms energy: -103.521794
where:
bonds (distance) C4'-P energy: -23.107
bonds (distance) P-C4' energy: -35.764
flat angles C4'-P-C4' energy: -24.523
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -9.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -612.100463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.100463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.100463 (E_RNA)
where:
Base-Base interactions energy: -425.863
where: short stacking energy: -196.139
Base-Backbone interact. energy: 0.304
local terms energy: -186.541836
where:
bonds (distance) C4'-P energy: -36.485
bonds (distance) P-C4' energy: -32.430
flat angles C4'-P-C4' energy: -36.398
flat angles P-C4'-P energy: -25.703
tors. eta vs tors. theta energy: -55.526
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: 2
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -598.439721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.439721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.439721 (E_RNA)
where:
Base-Base interactions energy: -417.102
where: short stacking energy: -168.914
Base-Backbone interact. energy: -0.811
local terms energy: -180.526294
where:
bonds (distance) C4'-P energy: -31.554
bonds (distance) P-C4' energy: -36.544
flat angles C4'-P-C4' energy: -36.561
flat angles P-C4'-P energy: -26.520
tors. eta vs tors. theta energy: -49.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -541.484486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.484486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.484486 (E_RNA)
where:
Base-Base interactions energy: -373.363
where: short stacking energy: -166.211
Base-Backbone interact. energy: 2.560
local terms energy: -170.681479
where:
bonds (distance) C4'-P energy: -26.770
bonds (distance) P-C4' energy: -36.193
flat angles C4'-P-C4' energy: -38.909
flat angles P-C4'-P energy: -26.286
tors. eta vs tors. theta energy: -42.523
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: 450
Temperature: 1.050000
Total energy: -560.026974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.026974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.026974 (E_RNA)
where:
Base-Base interactions energy: -381.986
where: short stacking energy: -164.046
Base-Backbone interact. energy: -0.652
local terms energy: -177.389190
where:
bonds (distance) C4'-P energy: -33.774
bonds (distance) P-C4' energy: -35.503
flat angles C4'-P-C4' energy: -35.800
flat angles P-C4'-P energy: -24.217
tors. eta vs tors. theta energy: -48.094
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: 5, replica: 1
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -557.361229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.361229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.361229 (E_RNA)
where:
Base-Base interactions energy: -384.052
where: short stacking energy: -153.973
Base-Backbone interact. energy: -1.866
local terms energy: -171.443199
where:
bonds (distance) C4'-P energy: -33.853
bonds (distance) P-C4' energy: -36.719
flat angles C4'-P-C4' energy: -31.195
flat angles P-C4'-P energy: -24.600
tors. eta vs tors. theta energy: -45.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -526.036303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.036303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.036303 (E_RNA)
where:
Base-Base interactions energy: -370.403
where: short stacking energy: -153.214
Base-Backbone interact. energy: -0.669
local terms energy: -154.964353
where:
bonds (distance) C4'-P energy: -27.965
bonds (distance) P-C4' energy: -30.340
flat angles C4'-P-C4' energy: -36.499
flat angles P-C4'-P energy: -20.104
tors. eta vs tors. theta energy: -40.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -453.434117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.434117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.434117 (E_RNA)
where:
Base-Base interactions energy: -300.432
where: short stacking energy: -131.406
Base-Backbone interact. energy: 1.067
local terms energy: -154.069717
where:
bonds (distance) C4'-P energy: -29.758
bonds (distance) P-C4' energy: -35.897
flat angles C4'-P-C4' energy: -32.526
flat angles P-C4'-P energy: -22.922
tors. eta vs tors. theta energy: -32.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -368.468497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.468497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.468497 (E_RNA)
where:
Base-Base interactions energy: -245.024
where: short stacking energy: -120.217
Base-Backbone interact. energy: -0.804
local terms energy: -122.640390
where:
bonds (distance) C4'-P energy: -26.200
bonds (distance) P-C4' energy: -26.417
flat angles C4'-P-C4' energy: -27.211
flat angles P-C4'-P energy: -18.767
tors. eta vs tors. theta energy: -24.046
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: 450
Temperature: 1.300000
Total energy: -296.154229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.154229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.154229 (E_RNA)
where:
Base-Base interactions energy: -181.664
where: short stacking energy: -84.075
Base-Backbone interact. energy: 1.344
local terms energy: -115.834130
where:
bonds (distance) C4'-P energy: -27.669
bonds (distance) P-C4' energy: -33.581
flat angles C4'-P-C4' energy: -28.256
flat angles P-C4'-P energy: -17.342
tors. eta vs tors. theta energy: -8.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -230.278023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.278023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.278023 (E_RNA)
where:
Base-Base interactions energy: -127.838
where: short stacking energy: -68.917
Base-Backbone interact. energy: 1.242
local terms energy: -103.681776
where:
bonds (distance) C4'-P energy: -28.327
bonds (distance) P-C4' energy: -25.493
flat angles C4'-P-C4' energy: -25.721
flat angles P-C4'-P energy: -15.558
tors. eta vs tors. theta energy: -8.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -599.575461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.575461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.575461 (E_RNA)
where:
Base-Base interactions energy: -413.141
where: short stacking energy: -185.483
Base-Backbone interact. energy: -0.074
local terms energy: -186.360415
where:
bonds (distance) C4'-P energy: -32.132
bonds (distance) P-C4' energy: -35.482
flat angles C4'-P-C4' energy: -36.004
flat angles P-C4'-P energy: -27.258
tors. eta vs tors. theta energy: -55.484
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: 451
Temperature: 0.950000
Total energy: -553.031895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.031895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.031895 (E_RNA)
where:
Base-Base interactions energy: -379.135
where: short stacking energy: -164.131
Base-Backbone interact. energy: -0.391
local terms energy: -173.505961
where:
bonds (distance) C4'-P energy: -29.325
bonds (distance) P-C4' energy: -34.097
flat angles C4'-P-C4' energy: -35.131
flat angles P-C4'-P energy: -32.224
tors. eta vs tors. theta energy: -42.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -578.213318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.213318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.213318 (E_RNA)
where:
Base-Base interactions energy: -395.327
where: short stacking energy: -157.000
Base-Backbone interact. energy: -0.568
local terms energy: -182.317914
where:
bonds (distance) C4'-P energy: -34.889
bonds (distance) P-C4' energy: -39.996
flat angles C4'-P-C4' energy: -35.873
flat angles P-C4'-P energy: -24.879
tors. eta vs tors. theta energy: -46.681
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: 4, replica: 1
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -551.380394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.380394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.380394 (E_RNA)
where:
Base-Base interactions energy: -373.570
where: short stacking energy: -154.843
Base-Backbone interact. energy: -2.183
local terms energy: -175.626748
where:
bonds (distance) C4'-P energy: -32.030
bonds (distance) P-C4' energy: -38.243
flat angles C4'-P-C4' energy: -38.817
flat angles P-C4'-P energy: -22.834
tors. eta vs tors. theta energy: -43.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -546.403977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.403977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.403977 (E_RNA)
where:
Base-Base interactions energy: -386.845
where: short stacking energy: -166.635
Base-Backbone interact. energy: -0.931
local terms energy: -158.627917
where:
bonds (distance) C4'-P energy: -29.149
bonds (distance) P-C4' energy: -34.802
flat angles C4'-P-C4' energy: -37.219
flat angles P-C4'-P energy: -15.214
tors. eta vs tors. theta energy: -42.244
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: 451
Temperature: 1.150000
Total energy: -535.246887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.246887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.246887 (E_RNA)
where:
Base-Base interactions energy: -369.701
where: short stacking energy: -148.617
Base-Backbone interact. energy: -1.270
local terms energy: -164.276341
where:
bonds (distance) C4'-P energy: -32.492
bonds (distance) P-C4' energy: -36.845
flat angles C4'-P-C4' energy: -29.370
flat angles P-C4'-P energy: -21.232
tors. eta vs tors. theta energy: -44.338
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: 4
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -450.098691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.098691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.098691 (E_RNA)
where:
Base-Base interactions energy: -315.231
where: short stacking energy: -124.184
Base-Backbone interact. energy: -0.905
local terms energy: -133.963053
where:
bonds (distance) C4'-P energy: -27.963
bonds (distance) P-C4' energy: -25.848
flat angles C4'-P-C4' energy: -36.970
flat angles P-C4'-P energy: -17.472
tors. eta vs tors. theta energy: -25.710
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: 451
Temperature: 1.250000
Total energy: -358.148847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.148847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.148847 (E_RNA)
where:
Base-Base interactions energy: -218.367
where: short stacking energy: -90.247
Base-Backbone interact. energy: -0.852
local terms energy: -138.929775
where:
bonds (distance) C4'-P energy: -33.140
bonds (distance) P-C4' energy: -30.380
flat angles C4'-P-C4' energy: -28.815
flat angles P-C4'-P energy: -22.859
tors. eta vs tors. theta energy: -23.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -346.150868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.150868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.150868 (E_RNA)
where:
Base-Base interactions energy: -210.597
where: short stacking energy: -102.568
Base-Backbone interact. energy: -0.427
local terms energy: -135.126313
where:
bonds (distance) C4'-P energy: -32.490
bonds (distance) P-C4' energy: -31.963
flat angles C4'-P-C4' energy: -29.535
flat angles P-C4'-P energy: -18.098
tors. eta vs tors. theta energy: -23.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -234.289567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.289567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.289567 (E_RNA)
where:
Base-Base interactions energy: -126.797
where: short stacking energy: -70.840
Base-Backbone interact. energy: -1.045
local terms energy: -106.447176
where:
bonds (distance) C4'-P energy: -30.275
bonds (distance) P-C4' energy: -36.078
flat angles C4'-P-C4' energy: -21.672
flat angles P-C4'-P energy: -16.700
tors. eta vs tors. theta energy: -1.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -598.894903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.894903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.894903 (E_RNA)
where:
Base-Base interactions energy: -410.800
where: short stacking energy: -187.969
Base-Backbone interact. energy: -1.164
local terms energy: -186.930365
where:
bonds (distance) C4'-P energy: -34.256
bonds (distance) P-C4' energy: -30.744
flat angles C4'-P-C4' energy: -37.277
flat angles P-C4'-P energy: -27.078
tors. eta vs tors. theta energy: -57.576
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: 5
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -567.474616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.474616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.474616 (E_RNA)
where:
Base-Base interactions energy: -383.408
where: short stacking energy: -159.712
Base-Backbone interact. energy: -0.426
local terms energy: -183.640956
where:
bonds (distance) C4'-P energy: -34.249
bonds (distance) P-C4' energy: -37.856
flat angles C4'-P-C4' energy: -39.871
flat angles P-C4'-P energy: -29.457
tors. eta vs tors. theta energy: -42.208
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: 2
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -564.606678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.606678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.606678 (E_RNA)
where:
Base-Base interactions energy: -402.951
where: short stacking energy: -165.449
Base-Backbone interact. energy: -0.948
local terms energy: -160.707612
where:
bonds (distance) C4'-P energy: -25.532
bonds (distance) P-C4' energy: -38.843
flat angles C4'-P-C4' energy: -33.556
flat angles P-C4'-P energy: -22.578
tors. eta vs tors. theta energy: -40.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -543.471820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.471820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.471820 (E_RNA)
where:
Base-Base interactions energy: -368.808
where: short stacking energy: -162.755
Base-Backbone interact. energy: -1.659
local terms energy: -173.004969
where:
bonds (distance) C4'-P energy: -29.008
bonds (distance) P-C4' energy: -38.275
flat angles C4'-P-C4' energy: -40.759
flat angles P-C4'-P energy: -21.700
tors. eta vs tors. theta energy: -43.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -555.177739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.177739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.177739 (E_RNA)
where:
Base-Base interactions energy: -386.903
where: short stacking energy: -155.612
Base-Backbone interact. energy: 1.491
local terms energy: -169.765617
where:
bonds (distance) C4'-P energy: -36.775
bonds (distance) P-C4' energy: -30.806
flat angles C4'-P-C4' energy: -34.968
flat angles P-C4'-P energy: -25.320
tors. eta vs tors. theta energy: -41.897
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: 452
Temperature: 1.150000
Total energy: -519.120515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.120515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.120515 (E_RNA)
where:
Base-Base interactions energy: -358.297
where: short stacking energy: -143.594
Base-Backbone interact. energy: -0.379
local terms energy: -160.444780
where:
bonds (distance) C4'-P energy: -31.960
bonds (distance) P-C4' energy: -28.953
flat angles C4'-P-C4' energy: -35.393
flat angles P-C4'-P energy: -25.451
tors. eta vs tors. theta energy: -38.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -427.656608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.656608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.656608 (E_RNA)
where:
Base-Base interactions energy: -291.633
where: short stacking energy: -115.580
Base-Backbone interact. energy: -0.511
local terms energy: -135.513252
where:
bonds (distance) C4'-P energy: -17.473
bonds (distance) P-C4' energy: -29.272
flat angles C4'-P-C4' energy: -35.131
flat angles P-C4'-P energy: -25.451
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: 8, replica: 3
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -355.044933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.044933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.044933 (E_RNA)
where:
Base-Base interactions energy: -229.936
where: short stacking energy: -101.183
Base-Backbone interact. energy: 1.367
local terms energy: -126.476173
where:
bonds (distance) C4'-P energy: -27.219
bonds (distance) P-C4' energy: -26.833
flat angles C4'-P-C4' energy: -28.959
flat angles P-C4'-P energy: -22.732
tors. eta vs tors. theta energy: -20.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -334.457058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.457058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.457058 (E_RNA)
where:
Base-Base interactions energy: -215.733
where: short stacking energy: -85.985
Base-Backbone interact. energy: -0.603
local terms energy: -118.121369
where:
bonds (distance) C4'-P energy: -23.697
bonds (distance) P-C4' energy: -29.231
flat angles C4'-P-C4' energy: -31.042
flat angles P-C4'-P energy: -16.953
tors. eta vs tors. theta energy: -17.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -237.685254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.685254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.685254 (E_RNA)
where:
Base-Base interactions energy: -131.276
where: short stacking energy: -67.397
Base-Backbone interact. energy: -0.468
local terms energy: -105.941402
where:
bonds (distance) C4'-P energy: -36.266
bonds (distance) P-C4' energy: -26.623
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -13.572
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: 9
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -599.026130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.026130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.026130 (E_RNA)
where:
Base-Base interactions energy: -411.703
where: short stacking energy: -189.889
Base-Backbone interact. energy: -1.212
local terms energy: -186.111811
where:
bonds (distance) C4'-P energy: -27.862
bonds (distance) P-C4' energy: -38.837
flat angles C4'-P-C4' energy: -38.013
flat angles P-C4'-P energy: -22.106
tors. eta vs tors. theta energy: -59.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -588.217013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.217013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.217013 (E_RNA)
where:
Base-Base interactions energy: -413.939
where: short stacking energy: -160.543
Base-Backbone interact. energy: -0.612
local terms energy: -173.665875
where:
bonds (distance) C4'-P energy: -32.892
bonds (distance) P-C4' energy: -31.322
flat angles C4'-P-C4' energy: -40.275
flat angles P-C4'-P energy: -24.397
tors. eta vs tors. theta energy: -44.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -564.319681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.319681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.319681 (E_RNA)
where:
Base-Base interactions energy: -373.755
where: short stacking energy: -161.248
Base-Backbone interact. energy: -1.650
local terms energy: -188.915017
where:
bonds (distance) C4'-P energy: -36.811
bonds (distance) P-C4' energy: -38.912
flat angles C4'-P-C4' energy: -36.288
flat angles P-C4'-P energy: -27.185
tors. eta vs tors. theta energy: -49.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -555.474362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.474362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.474362 (E_RNA)
where:
Base-Base interactions energy: -383.490
where: short stacking energy: -163.582
Base-Backbone interact. energy: -2.387
local terms energy: -169.597527
where:
bonds (distance) C4'-P energy: -25.810
bonds (distance) P-C4' energy: -38.145
flat angles C4'-P-C4' energy: -35.719
flat angles P-C4'-P energy: -26.638
tors. eta vs tors. theta energy: -43.285
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: 5, replica: 1
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -535.161687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.161687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.161687 (E_RNA)
where:
Base-Base interactions energy: -382.325
where: short stacking energy: -154.002
Base-Backbone interact. energy: -2.324
local terms energy: -150.512993
where:
bonds (distance) C4'-P energy: -27.237
bonds (distance) P-C4' energy: -29.959
flat angles C4'-P-C4' energy: -32.023
flat angles P-C4'-P energy: -19.575
tors. eta vs tors. theta energy: -41.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -505.230256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.230256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.230256 (E_RNA)
where:
Base-Base interactions energy: -350.865
where: short stacking energy: -158.340
Base-Backbone interact. energy: -0.128
local terms energy: -154.236905
where:
bonds (distance) C4'-P energy: -29.612
bonds (distance) P-C4' energy: -33.560
flat angles C4'-P-C4' energy: -33.796
flat angles P-C4'-P energy: -17.376
tors. eta vs tors. theta energy: -39.892
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: 453
Temperature: 1.200000
Total energy: -451.773598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.773598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.773598 (E_RNA)
where:
Base-Base interactions energy: -306.360
where: short stacking energy: -126.817
Base-Backbone interact. energy: -1.074
local terms energy: -144.339049
where:
bonds (distance) C4'-P energy: -28.914
bonds (distance) P-C4' energy: -26.716
flat angles C4'-P-C4' energy: -33.055
flat angles P-C4'-P energy: -20.009
tors. eta vs tors. theta energy: -35.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -325.768759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.768759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.768759 (E_RNA)
where:
Base-Base interactions energy: -206.693
where: short stacking energy: -109.104
Base-Backbone interact. energy: -0.231
local terms energy: -118.844862
where:
bonds (distance) C4'-P energy: -27.989
bonds (distance) P-C4' energy: -20.475
flat angles C4'-P-C4' energy: -28.494
flat angles P-C4'-P energy: -18.629
tors. eta vs tors. theta energy: -23.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -284.581182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.581182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.581182 (E_RNA)
where:
Base-Base interactions energy: -170.853
where: short stacking energy: -87.098
Base-Backbone interact. energy: -0.514
local terms energy: -113.214157
where:
bonds (distance) C4'-P energy: -24.753
bonds (distance) P-C4' energy: -30.267
flat angles C4'-P-C4' energy: -37.207
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -10.824
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: 10
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -249.787349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.787349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.787349 (E_RNA)
where:
Base-Base interactions energy: -133.936
where: short stacking energy: -69.784
Base-Backbone interact. energy: -0.883
local terms energy: -114.968167
where:
bonds (distance) C4'-P energy: -27.556
bonds (distance) P-C4' energy: -31.044
flat angles C4'-P-C4' energy: -23.215
flat angles P-C4'-P energy: -25.410
tors. eta vs tors. theta energy: -7.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -598.656626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.656626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.656626 (E_RNA)
where:
Base-Base interactions energy: -412.696
where: short stacking energy: -183.405
Base-Backbone interact. energy: 0.967
local terms energy: -186.927668
where:
bonds (distance) C4'-P energy: -31.368
bonds (distance) P-C4' energy: -39.959
flat angles C4'-P-C4' energy: -31.609
flat angles P-C4'-P energy: -25.887
tors. eta vs tors. theta energy: -58.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -589.750374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.750374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.750374 (E_RNA)
where:
Base-Base interactions energy: -408.622
where: short stacking energy: -167.475
Base-Backbone interact. energy: -1.330
local terms energy: -179.798236
where:
bonds (distance) C4'-P energy: -36.307
bonds (distance) P-C4' energy: -41.158
flat angles C4'-P-C4' energy: -36.763
flat angles P-C4'-P energy: -24.702
tors. eta vs tors. theta energy: -40.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -546.869900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.869900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.869900 (E_RNA)
where:
Base-Base interactions energy: -373.005
where: short stacking energy: -161.277
Base-Backbone interact. energy: -0.192
local terms energy: -173.673573
where:
bonds (distance) C4'-P energy: -29.452
bonds (distance) P-C4' energy: -34.532
flat angles C4'-P-C4' energy: -34.989
flat angles P-C4'-P energy: -24.573
tors. eta vs tors. theta energy: -50.128
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: 454
Temperature: 1.050000
Total energy: -544.841011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.841011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.841011 (E_RNA)
where:
Base-Base interactions energy: -385.308
where: short stacking energy: -153.486
Base-Backbone interact. energy: -1.585
local terms energy: -157.948284
where:
bonds (distance) C4'-P energy: -26.463
bonds (distance) P-C4' energy: -36.898
flat angles C4'-P-C4' energy: -32.841
flat angles P-C4'-P energy: -22.309
tors. eta vs tors. theta energy: -39.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -520.796348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.796348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.796348 (E_RNA)
where:
Base-Base interactions energy: -350.821
where: short stacking energy: -155.036
Base-Backbone interact. energy: -0.022
local terms energy: -169.953919
where:
bonds (distance) C4'-P energy: -31.336
bonds (distance) P-C4' energy: -35.498
flat angles C4'-P-C4' energy: -36.229
flat angles P-C4'-P energy: -25.929
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: 6, replica: 1
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -493.566941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.566941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.566941 (E_RNA)
where:
Base-Base interactions energy: -326.711
where: short stacking energy: -137.366
Base-Backbone interact. energy: -1.478
local terms energy: -165.377467
where:
bonds (distance) C4'-P energy: -35.292
bonds (distance) P-C4' energy: -39.995
flat angles C4'-P-C4' energy: -30.840
flat angles P-C4'-P energy: -23.361
tors. eta vs tors. theta energy: -35.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -439.218846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.218846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.218846 (E_RNA)
where:
Base-Base interactions energy: -299.477
where: short stacking energy: -129.062
Base-Backbone interact. energy: -0.759
local terms energy: -138.982888
where:
bonds (distance) C4'-P energy: -22.849
bonds (distance) P-C4' energy: -38.514
flat angles C4'-P-C4' energy: -29.629
flat angles P-C4'-P energy: -19.997
tors. eta vs tors. theta energy: -27.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -371.114063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.114063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.114063 (E_RNA)
where:
Base-Base interactions energy: -229.100
where: short stacking energy: -117.950
Base-Backbone interact. energy: -0.522
local terms energy: -141.491387
where:
bonds (distance) C4'-P energy: -26.085
bonds (distance) P-C4' energy: -31.274
flat angles C4'-P-C4' energy: -35.681
flat angles P-C4'-P energy: -17.357
tors. eta vs tors. theta energy: -31.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -298.771051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.771051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.771051 (E_RNA)
where:
Base-Base interactions energy: -180.880
where: short stacking energy: -86.241
Base-Backbone interact. energy: -0.509
local terms energy: -117.381795
where:
bonds (distance) C4'-P energy: -24.937
bonds (distance) P-C4' energy: -29.990
flat angles C4'-P-C4' energy: -27.306
flat angles P-C4'-P energy: -19.695
tors. eta vs tors. theta energy: -15.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -229.920422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.920422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.920422 (E_RNA)
where:
Base-Base interactions energy: -114.504
where: short stacking energy: -66.500
Base-Backbone interact. energy: -0.690
local terms energy: -114.726169
where:
bonds (distance) C4'-P energy: -22.525
bonds (distance) P-C4' energy: -32.681
flat angles C4'-P-C4' energy: -29.307
flat angles P-C4'-P energy: -20.357
tors. eta vs tors. theta energy: -9.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -605.401822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.401822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.401822 (E_RNA)
where:
Base-Base interactions energy: -418.516
where: short stacking energy: -188.187
Base-Backbone interact. energy: -0.956
local terms energy: -185.930142
where:
bonds (distance) C4'-P energy: -30.391
bonds (distance) P-C4' energy: -34.255
flat angles C4'-P-C4' energy: -40.074
flat angles P-C4'-P energy: -26.496
tors. eta vs tors. theta energy: -54.713
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: 2, replica: 2
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -590.223665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.223665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.223665 (E_RNA)
where:
Base-Base interactions energy: -403.864
where: short stacking energy: -160.495
Base-Backbone interact. energy: -0.854
local terms energy: -185.505808
where:
bonds (distance) C4'-P energy: -32.931
bonds (distance) P-C4' energy: -38.765
flat angles C4'-P-C4' energy: -38.466
flat angles P-C4'-P energy: -30.549
tors. eta vs tors. theta energy: -44.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -560.299678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.299678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.299678 (E_RNA)
where:
Base-Base interactions energy: -379.641
where: short stacking energy: -162.467
Base-Backbone interact. energy: -1.269
local terms energy: -179.390158
where:
bonds (distance) C4'-P energy: -32.587
bonds (distance) P-C4' energy: -34.841
flat angles C4'-P-C4' energy: -35.700
flat angles P-C4'-P energy: -28.826
tors. eta vs tors. theta energy: -47.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -550.561951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.561951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.561951 (E_RNA)
where:
Base-Base interactions energy: -380.257
where: short stacking energy: -149.463
Base-Backbone interact. energy: -0.316
local terms energy: -169.989597
where:
bonds (distance) C4'-P energy: -31.680
bonds (distance) P-C4' energy: -38.376
flat angles C4'-P-C4' energy: -32.802
flat angles P-C4'-P energy: -26.789
tors. eta vs tors. theta energy: -40.342
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: 455
Temperature: 1.100000
Total energy: -507.055580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.055580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.055580 (E_RNA)
where:
Base-Base interactions energy: -348.747
where: short stacking energy: -153.513
Base-Backbone interact. energy: -0.233
local terms energy: -158.075737
where:
bonds (distance) C4'-P energy: -29.762
bonds (distance) P-C4' energy: -29.770
flat angles C4'-P-C4' energy: -30.781
flat angles P-C4'-P energy: -29.258
tors. eta vs tors. theta energy: -38.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -504.108124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.108124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.108124 (E_RNA)
where:
Base-Base interactions energy: -362.949
where: short stacking energy: -142.364
Base-Backbone interact. energy: -0.583
local terms energy: -140.576727
where:
bonds (distance) C4'-P energy: -36.659
bonds (distance) P-C4' energy: -25.474
flat angles C4'-P-C4' energy: -30.537
flat angles P-C4'-P energy: -17.442
tors. eta vs tors. theta energy: -30.464
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: 455
Temperature: 1.200000
Total energy: -427.187169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.187169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.187169 (E_RNA)
where:
Base-Base interactions energy: -289.667
where: short stacking energy: -115.467
Base-Backbone interact. energy: -0.348
local terms energy: -137.171784
where:
bonds (distance) C4'-P energy: -32.697
bonds (distance) P-C4' energy: -27.501
flat angles C4'-P-C4' energy: -27.962
flat angles P-C4'-P energy: -21.151
tors. eta vs tors. theta energy: -27.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -360.835158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.835158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.835158 (E_RNA)
where:
Base-Base interactions energy: -237.329
where: short stacking energy: -95.368
Base-Backbone interact. energy: -0.218
local terms energy: -123.287723
where:
bonds (distance) C4'-P energy: -28.487
bonds (distance) P-C4' energy: -29.393
flat angles C4'-P-C4' energy: -29.154
flat angles P-C4'-P energy: -18.628
tors. eta vs tors. theta energy: -17.625
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: 9, replica: 3
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -297.624584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.624584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.624584 (E_RNA)
where:
Base-Base interactions energy: -183.755
where: short stacking energy: -84.800
Base-Backbone interact. energy: -1.430
local terms energy: -112.438950
where:
bonds (distance) C4'-P energy: -31.865
bonds (distance) P-C4' energy: -22.586
flat angles C4'-P-C4' energy: -29.843
flat angles P-C4'-P energy: -14.425
tors. eta vs tors. theta energy: -13.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -260.420513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.420513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.420513 (E_RNA)
where:
Base-Base interactions energy: -160.780
where: short stacking energy: -78.523
Base-Backbone interact. energy: 5.185
local terms energy: -104.825665
where:
bonds (distance) C4'-P energy: -23.887
bonds (distance) P-C4' energy: -26.063
flat angles C4'-P-C4' energy: -32.192
flat angles P-C4'-P energy: -16.656
tors. eta vs tors. theta energy: -6.028
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: 2
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -601.443873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.443873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.443873 (E_RNA)
where:
Base-Base interactions energy: -426.258
where: short stacking energy: -167.589
Base-Backbone interact. energy: -1.015
local terms energy: -174.171176
where:
bonds (distance) C4'-P energy: -34.359
bonds (distance) P-C4' energy: -32.032
flat angles C4'-P-C4' energy: -37.048
flat angles P-C4'-P energy: -25.000
tors. eta vs tors. theta energy: -45.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -586.647850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.647850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.647850 (E_RNA)
where:
Base-Base interactions energy: -414.384
where: short stacking energy: -177.290
Base-Backbone interact. energy: -0.424
local terms energy: -171.839713
where:
bonds (distance) C4'-P energy: -30.937
bonds (distance) P-C4' energy: -34.983
flat angles C4'-P-C4' energy: -37.526
flat angles P-C4'-P energy: -18.662
tors. eta vs tors. theta energy: -49.732
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: 456
Temperature: 1.000000
Total energy: -546.206871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.206871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.206871 (E_RNA)
where:
Base-Base interactions energy: -389.694
where: short stacking energy: -156.183
Base-Backbone interact. energy: 0.903
local terms energy: -157.415359
where:
bonds (distance) C4'-P energy: -34.827
bonds (distance) P-C4' energy: -31.300
flat angles C4'-P-C4' energy: -33.328
flat angles P-C4'-P energy: -23.217
tors. eta vs tors. theta energy: -34.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -541.081523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.081523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.081523 (E_RNA)
where:
Base-Base interactions energy: -368.644
where: short stacking energy: -152.997
Base-Backbone interact. energy: -0.387
local terms energy: -172.051301
where:
bonds (distance) C4'-P energy: -37.431
bonds (distance) P-C4' energy: -32.224
flat angles C4'-P-C4' energy: -38.271
flat angles P-C4'-P energy: -23.362
tors. eta vs tors. theta energy: -40.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -519.150195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.150195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.150195 (E_RNA)
where:
Base-Base interactions energy: -355.873
where: short stacking energy: -152.148
Base-Backbone interact. energy: -1.578
local terms energy: -161.699369
where:
bonds (distance) C4'-P energy: -36.240
bonds (distance) P-C4' energy: -30.485
flat angles C4'-P-C4' energy: -32.719
flat angles P-C4'-P energy: -19.172
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: 6, replica: 1
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -513.515452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.515452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.515452 (E_RNA)
where:
Base-Base interactions energy: -357.405
where: short stacking energy: -151.679
Base-Backbone interact. energy: -2.203
local terms energy: -153.907443
where:
bonds (distance) C4'-P energy: -27.091
bonds (distance) P-C4' energy: -32.632
flat angles C4'-P-C4' energy: -33.753
flat angles P-C4'-P energy: -25.705
tors. eta vs tors. theta energy: -34.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -481.122985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.122985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.122985 (E_RNA)
where:
Base-Base interactions energy: -321.557
where: short stacking energy: -133.774
Base-Backbone interact. energy: -0.260
local terms energy: -159.305992
where:
bonds (distance) C4'-P energy: -32.248
bonds (distance) P-C4' energy: -38.350
flat angles C4'-P-C4' energy: -31.632
flat angles P-C4'-P energy: -20.871
tors. eta vs tors. theta energy: -36.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -367.294636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.294636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.294636 (E_RNA)
where:
Base-Base interactions energy: -228.775
where: short stacking energy: -110.514
Base-Backbone interact. energy: -0.964
local terms energy: -137.555703
where:
bonds (distance) C4'-P energy: -32.895
bonds (distance) P-C4' energy: -30.810
flat angles C4'-P-C4' energy: -26.297
flat angles P-C4'-P energy: -20.155
tors. eta vs tors. theta energy: -27.399
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: 3
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -317.683618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.683618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.683618 (E_RNA)
where:
Base-Base interactions energy: -187.355
where: short stacking energy: -82.265
Base-Backbone interact. energy: -0.728
local terms energy: -129.601295
where:
bonds (distance) C4'-P energy: -24.194
bonds (distance) P-C4' energy: -33.519
flat angles C4'-P-C4' energy: -28.969
flat angles P-C4'-P energy: -20.233
tors. eta vs tors. theta energy: -22.686
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: 10, replica: 10
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -282.188860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.188860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.188860 (E_RNA)
where:
Base-Base interactions energy: -183.533
where: short stacking energy: -80.982
Base-Backbone interact. energy: 4.756
local terms energy: -103.411072
where:
bonds (distance) C4'-P energy: -21.382
bonds (distance) P-C4' energy: -33.684
flat angles C4'-P-C4' energy: -24.503
flat angles P-C4'-P energy: -14.543
tors. eta vs tors. theta energy: -9.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -604.637355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.637355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.637355 (E_RNA)
where:
Base-Base interactions energy: -415.240
where: short stacking energy: -184.814
Base-Backbone interact. energy: -0.014
local terms energy: -189.383610
where:
bonds (distance) C4'-P energy: -33.410
bonds (distance) P-C4' energy: -35.251
flat angles C4'-P-C4' energy: -39.758
flat angles P-C4'-P energy: -27.310
tors. eta vs tors. theta energy: -53.655
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: 2, replica: 9
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -587.647129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.647129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.647129 (E_RNA)
where:
Base-Base interactions energy: -399.374
where: short stacking energy: -179.950
Base-Backbone interact. energy: -0.782
local terms energy: -187.490264
where:
bonds (distance) C4'-P energy: -37.565
bonds (distance) P-C4' energy: -32.823
flat angles C4'-P-C4' energy: -36.198
flat angles P-C4'-P energy: -25.971
tors. eta vs tors. theta energy: -54.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -563.646892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.646892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.646892 (E_RNA)
where:
Base-Base interactions energy: -395.285
where: short stacking energy: -159.587
Base-Backbone interact. energy: -0.913
local terms energy: -167.449174
where:
bonds (distance) C4'-P energy: -33.692
bonds (distance) P-C4' energy: -35.047
flat angles C4'-P-C4' energy: -40.332
flat angles P-C4'-P energy: -21.503
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: 4, replica: 5
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -532.803740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.803740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.803740 (E_RNA)
where:
Base-Base interactions energy: -368.738
where: short stacking energy: -167.962
Base-Backbone interact. energy: -0.729
local terms energy: -163.336335
where:
bonds (distance) C4'-P energy: -31.299
bonds (distance) P-C4' energy: -30.424
flat angles C4'-P-C4' energy: -34.835
flat angles P-C4'-P energy: -21.039
tors. eta vs tors. theta energy: -45.739
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: 457
Temperature: 1.100000
Total energy: -530.347879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.347879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.347879 (E_RNA)
where:
Base-Base interactions energy: -354.050
where: short stacking energy: -150.626
Base-Backbone interact. energy: -0.165
local terms energy: -176.132555
where:
bonds (distance) C4'-P energy: -33.107
bonds (distance) P-C4' energy: -35.038
flat angles C4'-P-C4' energy: -40.205
flat angles P-C4'-P energy: -23.782
tors. eta vs tors. theta energy: -43.999
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: 1
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -563.319390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.319390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.319390 (E_RNA)
where:
Base-Base interactions energy: -404.857
where: short stacking energy: -160.718
Base-Backbone interact. energy: 1.158
local terms energy: -159.620616
where:
bonds (distance) C4'-P energy: -28.726
bonds (distance) P-C4' energy: -28.588
flat angles C4'-P-C4' energy: -34.167
flat angles P-C4'-P energy: -23.261
tors. eta vs tors. theta energy: -44.879
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: 457
Temperature: 1.200000
Total energy: -471.579322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.579322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.579322 (E_RNA)
where:
Base-Base interactions energy: -308.656
where: short stacking energy: -129.620
Base-Backbone interact. energy: -0.711
local terms energy: -162.212659
where:
bonds (distance) C4'-P energy: -31.979
bonds (distance) P-C4' energy: -36.185
flat angles C4'-P-C4' energy: -35.417
flat angles P-C4'-P energy: -20.762
tors. eta vs tors. theta energy: -37.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -453.007941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.007941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.007941 (E_RNA)
where:
Base-Base interactions energy: -317.662
where: short stacking energy: -138.978
Base-Backbone interact. energy: -0.258
local terms energy: -135.087486
where:
bonds (distance) C4'-P energy: -21.316
bonds (distance) P-C4' energy: -30.183
flat angles C4'-P-C4' energy: -33.099
flat angles P-C4'-P energy: -15.580
tors. eta vs tors. theta energy: -34.910
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: 9, replica: 3
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -291.168057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.168057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.168057 (E_RNA)
where:
Base-Base interactions energy: -180.177
where: short stacking energy: -92.122
Base-Backbone interact. energy: -1.078
local terms energy: -109.912813
where:
bonds (distance) C4'-P energy: -25.031
bonds (distance) P-C4' energy: -21.725
flat angles C4'-P-C4' energy: -24.599
flat angles P-C4'-P energy: -22.664
tors. eta vs tors. theta energy: -15.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -332.035362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.035362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.035362 (E_RNA)
where:
Base-Base interactions energy: -198.312
where: short stacking energy: -95.603
Base-Backbone interact. energy: -0.845
local terms energy: -132.878150
where:
bonds (distance) C4'-P energy: -31.931
bonds (distance) P-C4' energy: -26.948
flat angles C4'-P-C4' energy: -33.754
flat angles P-C4'-P energy: -21.956
tors. eta vs tors. theta energy: -18.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -592.351763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.351763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.351763 (E_RNA)
where:
Base-Base interactions energy: -407.600
where: short stacking energy: -166.982
Base-Backbone interact. energy: -0.618
local terms energy: -184.134074
where:
bonds (distance) C4'-P energy: -36.639
bonds (distance) P-C4' energy: -34.635
flat angles C4'-P-C4' energy: -39.535
flat angles P-C4'-P energy: -26.230
tors. eta vs tors. theta energy: -47.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -595.423003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.423003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.423003 (E_RNA)
where:
Base-Base interactions energy: -415.901
where: short stacking energy: -190.293
Base-Backbone interact. energy: -0.277
local terms energy: -179.245373
where:
bonds (distance) C4'-P energy: -34.407
bonds (distance) P-C4' energy: -35.397
flat angles C4'-P-C4' energy: -38.359
flat angles P-C4'-P energy: -23.884
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: 3, replica: 8
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -546.463699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.463699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.463699 (E_RNA)
where:
Base-Base interactions energy: -388.059
where: short stacking energy: -157.320
Base-Backbone interact. energy: -1.474
local terms energy: -156.930647
where:
bonds (distance) C4'-P energy: -32.303
bonds (distance) P-C4' energy: -24.099
flat angles C4'-P-C4' energy: -39.472
flat angles P-C4'-P energy: -26.907
tors. eta vs tors. theta energy: -34.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -549.100870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.100870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.100870 (E_RNA)
where:
Base-Base interactions energy: -366.096
where: short stacking energy: -171.765
Base-Backbone interact. energy: -0.432
local terms energy: -182.572833
where:
bonds (distance) C4'-P energy: -29.278
bonds (distance) P-C4' energy: -39.096
flat angles C4'-P-C4' energy: -37.795
flat angles P-C4'-P energy: -29.004
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: 5, replica: 6
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -522.672552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.672552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.672552 (E_RNA)
where:
Base-Base interactions energy: -366.609
where: short stacking energy: -161.430
Base-Backbone interact. energy: -0.690
local terms energy: -155.372935
where:
bonds (distance) C4'-P energy: -29.916
bonds (distance) P-C4' energy: -28.714
flat angles C4'-P-C4' energy: -35.353
flat angles P-C4'-P energy: -19.532
tors. eta vs tors. theta energy: -41.858
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: 6, replica: 1
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -553.150851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.150851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.150851 (E_RNA)
where:
Base-Base interactions energy: -390.080
where: short stacking energy: -160.942
Base-Backbone interact. energy: -1.129
local terms energy: -161.942157
where:
bonds (distance) C4'-P energy: -31.303
bonds (distance) P-C4' energy: -37.015
flat angles C4'-P-C4' energy: -28.256
flat angles P-C4'-P energy: -18.500
tors. eta vs tors. theta energy: -46.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -437.992452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.992452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.992452 (E_RNA)
where:
Base-Base interactions energy: -289.677
where: short stacking energy: -139.573
Base-Backbone interact. energy: -1.814
local terms energy: -146.502097
where:
bonds (distance) C4'-P energy: -27.889
bonds (distance) P-C4' energy: -28.041
flat angles C4'-P-C4' energy: -39.937
flat angles P-C4'-P energy: -20.117
tors. eta vs tors. theta energy: -30.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -423.690351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.690351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.690351 (E_RNA)
where:
Base-Base interactions energy: -279.073
where: short stacking energy: -136.871
Base-Backbone interact. energy: -0.092
local terms energy: -144.525189
where:
bonds (distance) C4'-P energy: -25.710
bonds (distance) P-C4' energy: -34.794
flat angles C4'-P-C4' energy: -30.511
flat angles P-C4'-P energy: -21.108
tors. eta vs tors. theta energy: -32.404
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: 10
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -333.535990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.535990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.535990 (E_RNA)
where:
Base-Base interactions energy: -222.880
where: short stacking energy: -95.328
Base-Backbone interact. energy: -0.609
local terms energy: -110.046660
where:
bonds (distance) C4'-P energy: -29.845
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -25.388
flat angles P-C4'-P energy: -18.802
tors. eta vs tors. theta energy: -10.961
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: 3
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -285.520393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.520393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.520393 (E_RNA)
where:
Base-Base interactions energy: -166.220
where: short stacking energy: -85.468
Base-Backbone interact. energy: -0.629
local terms energy: -118.671659
where:
bonds (distance) C4'-P energy: -29.943
bonds (distance) P-C4' energy: -32.986
flat angles C4'-P-C4' energy: -28.797
flat angles P-C4'-P energy: -14.420
tors. eta vs tors. theta energy: -12.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -612.533220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.533220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.533220 (E_RNA)
where:
Base-Base interactions energy: -426.784
where: short stacking energy: -179.583
Base-Backbone interact. energy: -0.502
local terms energy: -185.247155
where:
bonds (distance) C4'-P energy: -30.399
bonds (distance) P-C4' energy: -37.812
flat angles C4'-P-C4' energy: -35.337
flat angles P-C4'-P energy: -27.619
tors. eta vs tors. theta energy: -54.080
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: 9
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -597.359764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.359764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.359764 (E_RNA)
where:
Base-Base interactions energy: -401.180
where: short stacking energy: -176.221
Base-Backbone interact. energy: -1.055
local terms energy: -195.124032
where:
bonds (distance) C4'-P energy: -38.092
bonds (distance) P-C4' energy: -32.782
flat angles C4'-P-C4' energy: -39.959
flat angles P-C4'-P energy: -31.798
tors. eta vs tors. theta energy: -52.493
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: 8
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -565.997429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.997429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.997429 (E_RNA)
where:
Base-Base interactions energy: -391.325
where: short stacking energy: -160.338
Base-Backbone interact. energy: -2.230
local terms energy: -172.442864
where:
bonds (distance) C4'-P energy: -31.951
bonds (distance) P-C4' energy: -33.073
flat angles C4'-P-C4' energy: -38.811
flat angles P-C4'-P energy: -28.346
tors. eta vs tors. theta energy: -40.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -547.286201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.286201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.286201 (E_RNA)
where:
Base-Base interactions energy: -373.991
where: short stacking energy: -170.698
Base-Backbone interact. energy: -0.366
local terms energy: -172.929829
where:
bonds (distance) C4'-P energy: -33.682
bonds (distance) P-C4' energy: -25.369
flat angles C4'-P-C4' energy: -39.120
flat angles P-C4'-P energy: -23.841
tors. eta vs tors. theta energy: -50.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -512.169570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.169570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.169570 (E_RNA)
where:
Base-Base interactions energy: -356.286
where: short stacking energy: -149.015
Base-Backbone interact. energy: 0.457
local terms energy: -156.340309
where:
bonds (distance) C4'-P energy: -20.132
bonds (distance) P-C4' energy: -31.757
flat angles C4'-P-C4' energy: -34.004
flat angles P-C4'-P energy: -26.518
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: 6, replica: 7
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -459.937027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.937027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.937027 (E_RNA)
where:
Base-Base interactions energy: -308.059
where: short stacking energy: -138.709
Base-Backbone interact. energy: -0.894
local terms energy: -150.983544
where:
bonds (distance) C4'-P energy: -32.978
bonds (distance) P-C4' energy: -27.528
flat angles C4'-P-C4' energy: -29.036
flat angles P-C4'-P energy: -27.446
tors. eta vs tors. theta energy: -33.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -523.577927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.577927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.577927 (E_RNA)
where:
Base-Base interactions energy: -368.451
where: short stacking energy: -144.443
Base-Backbone interact. energy: -0.045
local terms energy: -155.081916
where:
bonds (distance) C4'-P energy: -22.009
bonds (distance) P-C4' energy: -31.120
flat angles C4'-P-C4' energy: -37.743
flat angles P-C4'-P energy: -22.244
tors. eta vs tors. theta energy: -41.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -347.142895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.142895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.142895 (E_RNA)
where:
Base-Base interactions energy: -212.293
where: short stacking energy: -102.996
Base-Backbone interact. energy: -0.803
local terms energy: -134.047158
where:
bonds (distance) C4'-P energy: -27.794
bonds (distance) P-C4' energy: -33.006
flat angles C4'-P-C4' energy: -29.478
flat angles P-C4'-P energy: -19.129
tors. eta vs tors. theta energy: -24.639
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: 10
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -377.783723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.783723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.783723 (E_RNA)
where:
Base-Base interactions energy: -260.208
where: short stacking energy: -102.834
Base-Backbone interact. energy: -1.424
local terms energy: -116.151732
where:
bonds (distance) C4'-P energy: -33.335
bonds (distance) P-C4' energy: -30.179
flat angles C4'-P-C4' energy: -22.672
flat angles P-C4'-P energy: -3.923
tors. eta vs tors. theta energy: -26.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -206.339597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.339597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.339597 (E_RNA)
where:
Base-Base interactions energy: -123.892
where: short stacking energy: -74.755
Base-Backbone interact. energy: -1.289
local terms energy: -81.158458
where:
bonds (distance) C4'-P energy: -22.636
bonds (distance) P-C4' energy: -21.244
flat angles C4'-P-C4' energy: -23.569
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -4.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -596.191419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.191419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.191419 (E_RNA)
where:
Base-Base interactions energy: -416.799
where: short stacking energy: -179.356
Base-Backbone interact. energy: -3.109
local terms energy: -176.283895
where:
bonds (distance) C4'-P energy: -27.597
bonds (distance) P-C4' energy: -37.817
flat angles C4'-P-C4' energy: -33.858
flat angles P-C4'-P energy: -23.337
tors. eta vs tors. theta energy: -53.675
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: 9
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -578.291592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.291592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.291592 (E_RNA)
where:
Base-Base interactions energy: -400.987
where: short stacking energy: -176.627
Base-Backbone interact. energy: -1.606
local terms energy: -175.698494
where:
bonds (distance) C4'-P energy: -35.524
bonds (distance) P-C4' energy: -32.103
flat angles C4'-P-C4' energy: -36.338
flat angles P-C4'-P energy: -21.816
tors. eta vs tors. theta energy: -49.917
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: 460
Temperature: 1.000000
Total energy: -571.568977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.568977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.568977 (E_RNA)
where:
Base-Base interactions energy: -389.298
where: short stacking energy: -168.033
Base-Backbone interact. energy: -0.335
local terms energy: -181.935806
where:
bonds (distance) C4'-P energy: -29.035
bonds (distance) P-C4' energy: -37.759
flat angles C4'-P-C4' energy: -40.277
flat angles P-C4'-P energy: -29.272
tors. eta vs tors. theta energy: -45.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -539.345040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.345040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.345040 (E_RNA)
where:
Base-Base interactions energy: -366.028
where: short stacking energy: -164.820
Base-Backbone interact. energy: -0.022
local terms energy: -173.295031
where:
bonds (distance) C4'-P energy: -29.171
bonds (distance) P-C4' energy: -32.823
flat angles C4'-P-C4' energy: -38.470
flat angles P-C4'-P energy: -23.546
tors. eta vs tors. theta energy: -49.285
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: 5, replica: 5
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -505.123702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.123702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.123702 (E_RNA)
where:
Base-Base interactions energy: -351.170
where: short stacking energy: -155.729
Base-Backbone interact. energy: -1.020
local terms energy: -152.932874
where:
bonds (distance) C4'-P energy: -28.338
bonds (distance) P-C4' energy: -35.135
flat angles C4'-P-C4' energy: -32.254
flat angles P-C4'-P energy: -22.627
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: 6, replica: 7
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -470.530785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.530785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.530785 (E_RNA)
where:
Base-Base interactions energy: -317.400
where: short stacking energy: -138.729
Base-Backbone interact. energy: -0.610
local terms energy: -152.520528
where:
bonds (distance) C4'-P energy: -38.490
bonds (distance) P-C4' energy: -27.696
flat angles C4'-P-C4' energy: -32.285
flat angles P-C4'-P energy: -25.629
tors. eta vs tors. theta energy: -28.420
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: 1
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -508.657112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.657112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.657112 (E_RNA)
where:
Base-Base interactions energy: -352.174
where: short stacking energy: -140.118
Base-Backbone interact. energy: -1.380
local terms energy: -155.103378
where:
bonds (distance) C4'-P energy: -28.684
bonds (distance) P-C4' energy: -28.795
flat angles C4'-P-C4' energy: -37.509
flat angles P-C4'-P energy: -22.085
tors. eta vs tors. theta energy: -38.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -366.418363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.418363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.418363 (E_RNA)
where:
Base-Base interactions energy: -234.476
where: short stacking energy: -111.944
Base-Backbone interact. energy: -1.290
local terms energy: -130.652264
where:
bonds (distance) C4'-P energy: -26.871
bonds (distance) P-C4' energy: -33.725
flat angles C4'-P-C4' energy: -25.701
flat angles P-C4'-P energy: -22.733
tors. eta vs tors. theta energy: -21.622
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: 10
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -380.473217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.473217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.473217 (E_RNA)
where:
Base-Base interactions energy: -261.535
where: short stacking energy: -99.547
Base-Backbone interact. energy: 0.121
local terms energy: -119.059555
where:
bonds (distance) C4'-P energy: -25.444
bonds (distance) P-C4' energy: -29.225
flat angles C4'-P-C4' energy: -28.453
flat angles P-C4'-P energy: -22.452
tors. eta vs tors. theta energy: -13.486
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: 460
Temperature: 1.350000
Total energy: -234.969709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.969709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.969709 (E_RNA)
where:
Base-Base interactions energy: -131.971
where: short stacking energy: -54.690
Base-Backbone interact. energy: -0.257
local terms energy: -102.741524
where:
bonds (distance) C4'-P energy: -27.458
bonds (distance) P-C4' energy: -21.458
flat angles C4'-P-C4' energy: -29.576
flat angles P-C4'-P energy: -21.289
tors. eta vs tors. theta energy: -2.959
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: 1, replica: 2
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -605.353004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.353004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.353004 (E_RNA)
where:
Base-Base interactions energy: -423.639
where: short stacking energy: -187.020
Base-Backbone interact. energy: -0.718
local terms energy: -180.995860
where:
bonds (distance) C4'-P energy: -29.568
bonds (distance) P-C4' energy: -36.604
flat angles C4'-P-C4' energy: -37.784
flat angles P-C4'-P energy: -28.408
tors. eta vs tors. theta energy: -48.631
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: 8
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -588.744871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.744871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.744871 (E_RNA)
where:
Base-Base interactions energy: -413.830
where: short stacking energy: -162.065
Base-Backbone interact. energy: -1.377
local terms energy: -173.537252
where:
bonds (distance) C4'-P energy: -29.608
bonds (distance) P-C4' energy: -37.311
flat angles C4'-P-C4' energy: -34.572
flat angles P-C4'-P energy: -30.760
tors. eta vs tors. theta energy: -41.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -571.630365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.630365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.630365 (E_RNA)
where:
Base-Base interactions energy: -401.827
where: short stacking energy: -174.475
Base-Backbone interact. energy: -0.347
local terms energy: -169.456325
where:
bonds (distance) C4'-P energy: -25.327
bonds (distance) P-C4' energy: -35.505
flat angles C4'-P-C4' energy: -32.704
flat angles P-C4'-P energy: -28.473
tors. eta vs tors. theta energy: -47.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -529.119322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.119322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.119322 (E_RNA)
where:
Base-Base interactions energy: -356.920
where: short stacking energy: -161.097
Base-Backbone interact. energy: -0.942
local terms energy: -171.257171
where:
bonds (distance) C4'-P energy: -30.707
bonds (distance) P-C4' energy: -30.287
flat angles C4'-P-C4' energy: -37.455
flat angles P-C4'-P energy: -25.447
tors. eta vs tors. theta energy: -47.361
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: 6
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -524.401412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.401412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.401412 (E_RNA)
where:
Base-Base interactions energy: -354.596
where: short stacking energy: -160.537
Base-Backbone interact. energy: 0.908
local terms energy: -170.713115
where:
bonds (distance) C4'-P energy: -35.846
bonds (distance) P-C4' energy: -32.967
flat angles C4'-P-C4' energy: -35.551
flat angles P-C4'-P energy: -19.119
tors. eta vs tors. theta energy: -47.229
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: 1
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -514.036530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.036530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.036530 (E_RNA)
where:
Base-Base interactions energy: -353.863
where: short stacking energy: -150.081
Base-Backbone interact. energy: 0.110
local terms energy: -160.283737
where:
bonds (distance) C4'-P energy: -26.943
bonds (distance) P-C4' energy: -29.677
flat angles C4'-P-C4' energy: -34.263
flat angles P-C4'-P energy: -26.929
tors. eta vs tors. theta energy: -42.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -480.519249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.519249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.519249 (E_RNA)
where:
Base-Base interactions energy: -338.003
where: short stacking energy: -132.926
Base-Backbone interact. energy: -0.257
local terms energy: -142.258421
where:
bonds (distance) C4'-P energy: -33.173
bonds (distance) P-C4' energy: -34.670
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -24.049
tors. eta vs tors. theta energy: -32.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -407.599504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.599504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.599504 (E_RNA)
where:
Base-Base interactions energy: -277.191
where: short stacking energy: -111.369
Base-Backbone interact. energy: -1.032
local terms energy: -129.376855
where:
bonds (distance) C4'-P energy: -29.015
bonds (distance) P-C4' energy: -29.820
flat angles C4'-P-C4' energy: -31.242
flat angles P-C4'-P energy: -20.049
tors. eta vs tors. theta energy: -19.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -355.014541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.014541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.014541 (E_RNA)
where:
Base-Base interactions energy: -226.075
where: short stacking energy: -109.758
Base-Backbone interact. energy: -0.145
local terms energy: -128.793896
where:
bonds (distance) C4'-P energy: -26.970
bonds (distance) P-C4' energy: -29.669
flat angles C4'-P-C4' energy: -28.882
flat angles P-C4'-P energy: -21.030
tors. eta vs tors. theta energy: -22.242
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: 3
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -241.729022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.729022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.729022 (E_RNA)
where:
Base-Base interactions energy: -132.848
where: short stacking energy: -65.197
Base-Backbone interact. energy: 2.668
local terms energy: -111.549202
where:
bonds (distance) C4'-P energy: -28.825
bonds (distance) P-C4' energy: -35.878
flat angles C4'-P-C4' energy: -20.641
flat angles P-C4'-P energy: -22.028
tors. eta vs tors. theta energy: -4.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -601.305323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.305323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.305323 (E_RNA)
where:
Base-Base interactions energy: -422.872
where: short stacking energy: -173.459
Base-Backbone interact. energy: -1.685
local terms energy: -176.747994
where:
bonds (distance) C4'-P energy: -35.947
bonds (distance) P-C4' energy: -32.402
flat angles C4'-P-C4' energy: -41.311
flat angles P-C4'-P energy: -20.857
tors. eta vs tors. theta energy: -46.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -586.215781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.215781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.215781 (E_RNA)
where:
Base-Base interactions energy: -406.536
where: short stacking energy: -166.505
Base-Backbone interact. energy: -1.116
local terms energy: -178.563522
where:
bonds (distance) C4'-P energy: -28.749
bonds (distance) P-C4' energy: -38.537
flat angles C4'-P-C4' energy: -39.314
flat angles P-C4'-P energy: -24.278
tors. eta vs tors. theta energy: -47.686
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: 9
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -582.360281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.360281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.360281 (E_RNA)
where:
Base-Base interactions energy: -400.866
where: short stacking energy: -184.382
Base-Backbone interact. energy: 0.793
local terms energy: -182.287654
where:
bonds (distance) C4'-P energy: -33.635
bonds (distance) P-C4' energy: -40.465
flat angles C4'-P-C4' energy: -35.099
flat angles P-C4'-P energy: -23.066
tors. eta vs tors. theta energy: -50.023
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: 4, replica: 5
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -535.009997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.009997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.009997 (E_RNA)
where:
Base-Base interactions energy: -367.917
where: short stacking energy: -171.058
Base-Backbone interact. energy: -0.701
local terms energy: -166.391718
where:
bonds (distance) C4'-P energy: -21.784
bonds (distance) P-C4' energy: -28.667
flat angles C4'-P-C4' energy: -41.171
flat angles P-C4'-P energy: -26.562
tors. eta vs tors. theta energy: -48.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -539.498456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.498456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.498456 (E_RNA)
where:
Base-Base interactions energy: -391.053
where: short stacking energy: -163.627
Base-Backbone interact. energy: -0.397
local terms energy: -148.048653
where:
bonds (distance) C4'-P energy: -32.187
bonds (distance) P-C4' energy: -30.691
flat angles C4'-P-C4' energy: -30.272
flat angles P-C4'-P energy: -19.246
tors. eta vs tors. theta energy: -35.653
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: 6
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -522.216601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.216601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.216601 (E_RNA)
where:
Base-Base interactions energy: -363.473
where: short stacking energy: -154.853
Base-Backbone interact. energy: -0.015
local terms energy: -158.728758
where:
bonds (distance) C4'-P energy: -29.594
bonds (distance) P-C4' energy: -31.977
flat angles C4'-P-C4' energy: -30.906
flat angles P-C4'-P energy: -24.816
tors. eta vs tors. theta energy: -41.435
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: 7
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -452.182969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.182969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.182969 (E_RNA)
where:
Base-Base interactions energy: -325.217
where: short stacking energy: -140.024
Base-Backbone interact. energy: -0.240
local terms energy: -126.726469
where:
bonds (distance) C4'-P energy: -25.236
bonds (distance) P-C4' energy: -31.935
flat angles C4'-P-C4' energy: -24.834
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -33.512
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: 10
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -417.096871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.096871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.096871 (E_RNA)
where:
Base-Base interactions energy: -282.147
where: short stacking energy: -111.827
Base-Backbone interact. energy: 0.668
local terms energy: -135.618394
where:
bonds (distance) C4'-P energy: -28.200
bonds (distance) P-C4' energy: -28.330
flat angles C4'-P-C4' energy: -34.374
flat angles P-C4'-P energy: -23.842
tors. eta vs tors. theta energy: -20.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -353.141431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.141431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.141431 (E_RNA)
where:
Base-Base interactions energy: -232.383
where: short stacking energy: -112.795
Base-Backbone interact. energy: -0.331
local terms energy: -120.427224
where:
bonds (distance) C4'-P energy: -21.421
bonds (distance) P-C4' energy: -25.070
flat angles C4'-P-C4' energy: -28.496
flat angles P-C4'-P energy: -19.462
tors. eta vs tors. theta energy: -25.978
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: 3
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -237.673323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.673323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.673323 (E_RNA)
where:
Base-Base interactions energy: -115.410
where: short stacking energy: -60.039
Base-Backbone interact. energy: 2.536
local terms energy: -124.799895
where:
bonds (distance) C4'-P energy: -30.957
bonds (distance) P-C4' energy: -35.187
flat angles C4'-P-C4' energy: -30.389
flat angles P-C4'-P energy: -16.266
tors. eta vs tors. theta energy: -12.001
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: 463
Temperature: 0.900000
Total energy: -593.742920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.742920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.742920 (E_RNA)
where:
Base-Base interactions energy: -417.919
where: short stacking energy: -178.156
Base-Backbone interact. energy: -2.259
local terms energy: -173.564288
where:
bonds (distance) C4'-P energy: -38.953
bonds (distance) P-C4' energy: -27.890
flat angles C4'-P-C4' energy: -36.688
flat angles P-C4'-P energy: -18.238
tors. eta vs tors. theta energy: -51.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -603.362706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.362706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.362706 (E_RNA)
where:
Base-Base interactions energy: -423.483
where: short stacking energy: -185.644
Base-Backbone interact. energy: -0.210
local terms energy: -179.669989
where:
bonds (distance) C4'-P energy: -37.809
bonds (distance) P-C4' energy: -32.870
flat angles C4'-P-C4' energy: -35.356
flat angles P-C4'-P energy: -27.745
tors. eta vs tors. theta energy: -45.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -587.120936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.120936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.120936 (E_RNA)
where:
Base-Base interactions energy: -412.404
where: short stacking energy: -167.696
Base-Backbone interact. energy: -0.161
local terms energy: -174.555956
where:
bonds (distance) C4'-P energy: -37.308
bonds (distance) P-C4' energy: -37.541
flat angles C4'-P-C4' energy: -32.779
flat angles P-C4'-P energy: -22.408
tors. eta vs tors. theta energy: -44.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -542.582552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.582552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.582552 (E_RNA)
where:
Base-Base interactions energy: -377.891
where: short stacking energy: -152.645
Base-Backbone interact. energy: 0.029
local terms energy: -164.721367
where:
bonds (distance) C4'-P energy: -26.678
bonds (distance) P-C4' energy: -36.371
flat angles C4'-P-C4' energy: -31.122
flat angles P-C4'-P energy: -31.159
tors. eta vs tors. theta energy: -39.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -512.024308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.024308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.024308 (E_RNA)
where:
Base-Base interactions energy: -355.291
where: short stacking energy: -162.752
Base-Backbone interact. energy: -1.082
local terms energy: -155.651113
where:
bonds (distance) C4'-P energy: -27.844
bonds (distance) P-C4' energy: -27.877
flat angles C4'-P-C4' energy: -39.374
flat angles P-C4'-P energy: -18.005
tors. eta vs tors. theta energy: -42.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -536.652320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.652320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.652320 (E_RNA)
where:
Base-Base interactions energy: -382.434
where: short stacking energy: -161.758
Base-Backbone interact. energy: -0.164
local terms energy: -154.054850
where:
bonds (distance) C4'-P energy: -32.024
bonds (distance) P-C4' energy: -28.622
flat angles C4'-P-C4' energy: -34.230
flat angles P-C4'-P energy: -17.455
tors. eta vs tors. theta energy: -41.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -441.658773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.658773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.658773 (E_RNA)
where:
Base-Base interactions energy: -297.875
where: short stacking energy: -146.269
Base-Backbone interact. energy: -0.388
local terms energy: -143.395658
where:
bonds (distance) C4'-P energy: -19.174
bonds (distance) P-C4' energy: -35.558
flat angles C4'-P-C4' energy: -34.352
flat angles P-C4'-P energy: -21.247
tors. eta vs tors. theta energy: -33.065
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: 463
Temperature: 1.250000
Total energy: -419.048096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.048096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.048096 (E_RNA)
where:
Base-Base interactions energy: -296.449
where: short stacking energy: -127.466
Base-Backbone interact. energy: -0.591
local terms energy: -122.007227
where:
bonds (distance) C4'-P energy: -23.232
bonds (distance) P-C4' energy: -24.834
flat angles C4'-P-C4' energy: -25.583
flat angles P-C4'-P energy: -21.872
tors. eta vs tors. theta energy: -26.486
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: 4
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -350.579895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.579895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.579895 (E_RNA)
where:
Base-Base interactions energy: -216.244
where: short stacking energy: -111.443
Base-Backbone interact. energy: -0.739
local terms energy: -133.596797
where:
bonds (distance) C4'-P energy: -30.159
bonds (distance) P-C4' energy: -35.996
flat angles C4'-P-C4' energy: -30.210
flat angles P-C4'-P energy: -13.187
tors. eta vs tors. theta energy: -24.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -234.401177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.401177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.401177 (E_RNA)
where:
Base-Base interactions energy: -147.813
where: short stacking energy: -70.265
Base-Backbone interact. energy: 0.663
local terms energy: -87.251575
where:
bonds (distance) C4'-P energy: -27.509
bonds (distance) P-C4' energy: -24.151
flat angles C4'-P-C4' energy: -22.603
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -1.605
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: 9
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -594.991823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.991823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.991823 (E_RNA)
where:
Base-Base interactions energy: -412.388
where: short stacking energy: -175.399
Base-Backbone interact. energy: -0.932
local terms energy: -181.672534
where:
bonds (distance) C4'-P energy: -36.506
bonds (distance) P-C4' energy: -39.623
flat angles C4'-P-C4' energy: -32.653
flat angles P-C4'-P energy: -26.559
tors. eta vs tors. theta energy: -46.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -588.920838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.920838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.920838 (E_RNA)
where:
Base-Base interactions energy: -410.488
where: short stacking energy: -169.060
Base-Backbone interact. energy: -0.546
local terms energy: -177.887006
where:
bonds (distance) C4'-P energy: -34.141
bonds (distance) P-C4' energy: -33.634
flat angles C4'-P-C4' energy: -38.431
flat angles P-C4'-P energy: -25.365
tors. eta vs tors. theta energy: -46.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -563.959152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.959152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.959152 (E_RNA)
where:
Base-Base interactions energy: -394.403
where: short stacking energy: -159.154
Base-Backbone interact. energy: -1.876
local terms energy: -167.681004
where:
bonds (distance) C4'-P energy: -31.957
bonds (distance) P-C4' energy: -36.129
flat angles C4'-P-C4' energy: -36.128
flat angles P-C4'-P energy: -22.623
tors. eta vs tors. theta energy: -40.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -580.718859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.718859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.718859 (E_RNA)
where:
Base-Base interactions energy: -404.481
where: short stacking energy: -166.719
Base-Backbone interact. energy: -0.392
local terms energy: -175.845474
where:
bonds (distance) C4'-P energy: -34.319
bonds (distance) P-C4' energy: -32.975
flat angles C4'-P-C4' energy: -39.365
flat angles P-C4'-P energy: -25.826
tors. eta vs tors. theta energy: -43.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -533.552213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.552213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.552213 (E_RNA)
where:
Base-Base interactions energy: -374.977
where: short stacking energy: -163.641
Base-Backbone interact. energy: -1.079
local terms energy: -157.496256
where:
bonds (distance) C4'-P energy: -31.522
bonds (distance) P-C4' energy: -28.883
flat angles C4'-P-C4' energy: -37.543
flat angles P-C4'-P energy: -17.867
tors. eta vs tors. theta energy: -41.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -481.021269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.021269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.021269 (E_RNA)
where:
Base-Base interactions energy: -327.486
where: short stacking energy: -136.906
Base-Backbone interact. energy: -0.486
local terms energy: -153.049819
where:
bonds (distance) C4'-P energy: -27.704
bonds (distance) P-C4' energy: -34.324
flat angles C4'-P-C4' energy: -31.836
flat angles P-C4'-P energy: -24.211
tors. eta vs tors. theta energy: -34.974
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: 7, replica: 7
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -464.759837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.759837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.759837 (E_RNA)
where:
Base-Base interactions energy: -325.928
where: short stacking energy: -126.911
Base-Backbone interact. energy: -0.487
local terms energy: -138.344795
where:
bonds (distance) C4'-P energy: -27.360
bonds (distance) P-C4' energy: -22.942
flat angles C4'-P-C4' energy: -31.956
flat angles P-C4'-P energy: -25.148
tors. eta vs tors. theta energy: -30.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -413.552079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.552079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.552079 (E_RNA)
where:
Base-Base interactions energy: -281.121
where: short stacking energy: -119.967
Base-Backbone interact. energy: -0.314
local terms energy: -132.116271
where:
bonds (distance) C4'-P energy: -35.320
bonds (distance) P-C4' energy: -23.131
flat angles C4'-P-C4' energy: -24.835
flat angles P-C4'-P energy: -24.925
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: 9, replica: 4
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -326.230122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.230122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.230122 (E_RNA)
where:
Base-Base interactions energy: -216.955
where: short stacking energy: -96.946
Base-Backbone interact. energy: 3.348
local terms energy: -112.623236
where:
bonds (distance) C4'-P energy: -23.774
bonds (distance) P-C4' energy: -30.307
flat angles C4'-P-C4' energy: -28.635
flat angles P-C4'-P energy: -20.002
tors. eta vs tors. theta energy: -9.906
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: 3
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -222.260798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.260798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.260798 (E_RNA)
where:
Base-Base interactions energy: -123.668
where: short stacking energy: -72.453
Base-Backbone interact. energy: 0.912
local terms energy: -99.504823
where:
bonds (distance) C4'-P energy: -32.813
bonds (distance) P-C4' energy: -22.992
flat angles C4'-P-C4' energy: -27.429
flat angles P-C4'-P energy: -14.967
tors. eta vs tors. theta energy: -1.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -607.562175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.562175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.562175 (E_RNA)
where:
Base-Base interactions energy: -411.813
where: short stacking energy: -172.856
Base-Backbone interact. energy: 0.383
local terms energy: -196.132267
where:
bonds (distance) C4'-P energy: -38.551
bonds (distance) P-C4' energy: -35.863
flat angles C4'-P-C4' energy: -39.476
flat angles P-C4'-P energy: -30.034
tors. eta vs tors. theta energy: -52.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -595.479449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.479449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.479449 (E_RNA)
where:
Base-Base interactions energy: -413.939
where: short stacking energy: -173.278
Base-Backbone interact. energy: -1.034
local terms energy: -180.505971
where:
bonds (distance) C4'-P energy: -33.993
bonds (distance) P-C4' energy: -38.135
flat angles C4'-P-C4' energy: -34.600
flat angles P-C4'-P energy: -26.088
tors. eta vs tors. theta energy: -47.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -582.380747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.380747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.380747 (E_RNA)
where:
Base-Base interactions energy: -403.431
where: short stacking energy: -181.624
Base-Backbone interact. energy: 1.041
local terms energy: -179.990904
where:
bonds (distance) C4'-P energy: -36.596
bonds (distance) P-C4' energy: -33.598
flat angles C4'-P-C4' energy: -41.593
flat angles P-C4'-P energy: -23.141
tors. eta vs tors. theta energy: -45.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -553.138692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.138692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.138692 (E_RNA)
where:
Base-Base interactions energy: -374.190
where: short stacking energy: -156.961
Base-Backbone interact. energy: -0.022
local terms energy: -178.926643
where:
bonds (distance) C4'-P energy: -35.745
bonds (distance) P-C4' energy: -33.010
flat angles C4'-P-C4' energy: -39.700
flat angles P-C4'-P energy: -26.596
tors. eta vs tors. theta energy: -43.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -552.924175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.924175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.924175 (E_RNA)
where:
Base-Base interactions energy: -381.684
where: short stacking energy: -160.722
Base-Backbone interact. energy: -1.079
local terms energy: -170.160640
where:
bonds (distance) C4'-P energy: -31.932
bonds (distance) P-C4' energy: -36.693
flat angles C4'-P-C4' energy: -34.681
flat angles P-C4'-P energy: -24.770
tors. eta vs tors. theta energy: -42.084
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: 465
Temperature: 1.150000
Total energy: -489.113550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.113550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.113550 (E_RNA)
where:
Base-Base interactions energy: -336.584
where: short stacking energy: -137.969
Base-Backbone interact. energy: 0.169
local terms energy: -152.698499
where:
bonds (distance) C4'-P energy: -32.076
bonds (distance) P-C4' energy: -25.958
flat angles C4'-P-C4' energy: -31.397
flat angles P-C4'-P energy: -23.526
tors. eta vs tors. theta energy: -39.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -472.590758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.590758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.590758 (E_RNA)
where:
Base-Base interactions energy: -332.647
where: short stacking energy: -143.331
Base-Backbone interact. energy: -0.327
local terms energy: -139.616960
where:
bonds (distance) C4'-P energy: -25.897
bonds (distance) P-C4' energy: -26.686
flat angles C4'-P-C4' energy: -33.520
flat angles P-C4'-P energy: -18.002
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: 8, replica: 10
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -440.257911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.257911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.257911 (E_RNA)
where:
Base-Base interactions energy: -300.398
where: short stacking energy: -128.638
Base-Backbone interact. energy: -0.442
local terms energy: -139.417625
where:
bonds (distance) C4'-P energy: -31.027
bonds (distance) P-C4' energy: -35.061
flat angles C4'-P-C4' energy: -33.162
flat angles P-C4'-P energy: -15.086
tors. eta vs tors. theta energy: -25.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -338.365241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.365241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.365241 (E_RNA)
where:
Base-Base interactions energy: -214.378
where: short stacking energy: -95.950
Base-Backbone interact. energy: -0.893
local terms energy: -123.094434
where:
bonds (distance) C4'-P energy: -23.633
bonds (distance) P-C4' energy: -33.171
flat angles C4'-P-C4' energy: -27.324
flat angles P-C4'-P energy: -20.968
tors. eta vs tors. theta energy: -17.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -259.499251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.499251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.499251 (E_RNA)
where:
Base-Base interactions energy: -147.918
where: short stacking energy: -61.144
Base-Backbone interact. energy: -0.937
local terms energy: -110.644795
where:
bonds (distance) C4'-P energy: -28.951
bonds (distance) P-C4' energy: -30.989
flat angles C4'-P-C4' energy: -22.959
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -16.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -621.418035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.418035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.418035 (E_RNA)
where:
Base-Base interactions energy: -421.181
where: short stacking energy: -182.614
Base-Backbone interact. energy: -0.755
local terms energy: -199.482647
where:
bonds (distance) C4'-P energy: -37.499
bonds (distance) P-C4' energy: -35.891
flat angles C4'-P-C4' energy: -39.639
flat angles P-C4'-P energy: -33.313
tors. eta vs tors. theta energy: -53.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -596.699154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.699154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.699154 (E_RNA)
where:
Base-Base interactions energy: -415.810
where: short stacking energy: -175.701
Base-Backbone interact. energy: -0.506
local terms energy: -180.383296
where:
bonds (distance) C4'-P energy: -30.838
bonds (distance) P-C4' energy: -31.880
flat angles C4'-P-C4' energy: -40.414
flat angles P-C4'-P energy: -28.237
tors. eta vs tors. theta energy: -49.015
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: 1
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -553.180199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.180199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.180199 (E_RNA)
where:
Base-Base interactions energy: -376.787
where: short stacking energy: -160.374
Base-Backbone interact. energy: 0.178
local terms energy: -176.572038
where:
bonds (distance) C4'-P energy: -33.984
bonds (distance) P-C4' energy: -35.093
flat angles C4'-P-C4' energy: -37.873
flat angles P-C4'-P energy: -24.477
tors. eta vs tors. theta energy: -45.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -537.612913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.612913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.612913 (E_RNA)
where:
Base-Base interactions energy: -387.102
where: short stacking energy: -157.497
Base-Backbone interact. energy: -0.435
local terms energy: -150.075556
where:
bonds (distance) C4'-P energy: -22.382
bonds (distance) P-C4' energy: -23.769
flat angles C4'-P-C4' energy: -40.069
flat angles P-C4'-P energy: -22.191
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: 5, replica: 2
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -554.244268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.244268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.244268 (E_RNA)
where:
Base-Base interactions energy: -399.123
where: short stacking energy: -169.494
Base-Backbone interact. energy: 1.368
local terms energy: -156.488987
where:
bonds (distance) C4'-P energy: -25.501
bonds (distance) P-C4' energy: -35.903
flat angles C4'-P-C4' energy: -32.019
flat angles P-C4'-P energy: -19.108
tors. eta vs tors. theta energy: -43.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -493.755066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.755066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.755066 (E_RNA)
where:
Base-Base interactions energy: -335.916
where: short stacking energy: -143.483
Base-Backbone interact. energy: -1.754
local terms energy: -156.085186
where:
bonds (distance) C4'-P energy: -30.622
bonds (distance) P-C4' energy: -35.573
flat angles C4'-P-C4' energy: -33.334
flat angles P-C4'-P energy: -18.362
tors. eta vs tors. theta energy: -38.195
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: 7, replica: 7
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -498.239649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.239649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.239649 (E_RNA)
where:
Base-Base interactions energy: -351.599
where: short stacking energy: -146.725
Base-Backbone interact. energy: 0.047
local terms energy: -146.687873
where:
bonds (distance) C4'-P energy: -27.466
bonds (distance) P-C4' energy: -30.672
flat angles C4'-P-C4' energy: -31.476
flat angles P-C4'-P energy: -20.351
tors. eta vs tors. theta energy: -36.722
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: 10
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -427.122310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.122310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.122310 (E_RNA)
where:
Base-Base interactions energy: -281.293
where: short stacking energy: -120.630
Base-Backbone interact. energy: -0.240
local terms energy: -145.589069
where:
bonds (distance) C4'-P energy: -27.284
bonds (distance) P-C4' energy: -33.866
flat angles C4'-P-C4' energy: -30.582
flat angles P-C4'-P energy: -19.600
tors. eta vs tors. theta energy: -34.257
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: 9, replica: 3
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -280.567785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.567785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.567785 (E_RNA)
where:
Base-Base interactions energy: -163.555
where: short stacking energy: -84.140
Base-Backbone interact. energy: 0.170
local terms energy: -117.183011
where:
bonds (distance) C4'-P energy: -29.422
bonds (distance) P-C4' energy: -25.983
flat angles C4'-P-C4' energy: -31.522
flat angles P-C4'-P energy: -20.621
tors. eta vs tors. theta energy: -9.635
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: 4
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -343.347378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.347378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.347378 (E_RNA)
where:
Base-Base interactions energy: -220.886
where: short stacking energy: -102.181
Base-Backbone interact. energy: -0.546
local terms energy: -121.915015
where:
bonds (distance) C4'-P energy: -24.194
bonds (distance) P-C4' energy: -26.046
flat angles C4'-P-C4' energy: -27.223
flat angles P-C4'-P energy: -25.571
tors. eta vs tors. theta energy: -18.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -615.771679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.771679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.771679 (E_RNA)
where:
Base-Base interactions energy: -432.993
where: short stacking energy: -182.060
Base-Backbone interact. energy: -0.868
local terms energy: -181.910927
where:
bonds (distance) C4'-P energy: -33.379
bonds (distance) P-C4' energy: -37.193
flat angles C4'-P-C4' energy: -37.462
flat angles P-C4'-P energy: -26.186
tors. eta vs tors. theta energy: -47.691
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: 1
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -555.511041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.511041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.511041 (E_RNA)
where:
Base-Base interactions energy: -385.634
where: short stacking energy: -168.697
Base-Backbone interact. energy: -0.045
local terms energy: -169.832220
where:
bonds (distance) C4'-P energy: -33.488
bonds (distance) P-C4' energy: -35.076
flat angles C4'-P-C4' energy: -35.385
flat angles P-C4'-P energy: -27.114
tors. eta vs tors. theta energy: -38.769
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: 9
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -584.717179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.717179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.717179 (E_RNA)
where:
Base-Base interactions energy: -405.773
where: short stacking energy: -173.428
Base-Backbone interact. energy: 0.897
local terms energy: -179.841983
where:
bonds (distance) C4'-P energy: -31.680
bonds (distance) P-C4' energy: -34.994
flat angles C4'-P-C4' energy: -38.641
flat angles P-C4'-P energy: -28.974
tors. eta vs tors. theta energy: -45.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -559.700637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.700637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.700637 (E_RNA)
where:
Base-Base interactions energy: -393.688
where: short stacking energy: -164.042
Base-Backbone interact. energy: -2.002
local terms energy: -164.010548
where:
bonds (distance) C4'-P energy: -31.130
bonds (distance) P-C4' energy: -29.168
flat angles C4'-P-C4' energy: -39.273
flat angles P-C4'-P energy: -22.577
tors. eta vs tors. theta energy: -41.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -506.642026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.642026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.642026 (E_RNA)
where:
Base-Base interactions energy: -353.435
where: short stacking energy: -149.041
Base-Backbone interact. energy: 0.732
local terms energy: -153.939351
where:
bonds (distance) C4'-P energy: -38.132
bonds (distance) P-C4' energy: -32.081
flat angles C4'-P-C4' energy: -26.971
flat angles P-C4'-P energy: -15.873
tors. eta vs tors. theta energy: -40.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -478.947473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.947473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.947473 (E_RNA)
where:
Base-Base interactions energy: -328.609
where: short stacking energy: -127.847
Base-Backbone interact. energy: -1.744
local terms energy: -148.594492
where:
bonds (distance) C4'-P energy: -31.335
bonds (distance) P-C4' energy: -32.545
flat angles C4'-P-C4' energy: -28.551
flat angles P-C4'-P energy: -23.735
tors. eta vs tors. theta energy: -32.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -483.441755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.441755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.441755 (E_RNA)
where:
Base-Base interactions energy: -320.483
where: short stacking energy: -148.444
Base-Backbone interact. energy: 0.826
local terms energy: -163.784603
where:
bonds (distance) C4'-P energy: -29.681
bonds (distance) P-C4' energy: -32.827
flat angles C4'-P-C4' energy: -33.815
flat angles P-C4'-P energy: -25.027
tors. eta vs tors. theta energy: -42.434
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: 8, replica: 10
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -406.670807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.670807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.670807 (E_RNA)
where:
Base-Base interactions energy: -270.814
where: short stacking energy: -110.779
Base-Backbone interact. energy: -0.660
local terms energy: -135.197148
where:
bonds (distance) C4'-P energy: -28.085
bonds (distance) P-C4' energy: -33.881
flat angles C4'-P-C4' energy: -34.163
flat angles P-C4'-P energy: -18.417
tors. eta vs tors. theta energy: -20.651
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: 3
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -238.631565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.631565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.631565 (E_RNA)
where:
Base-Base interactions energy: -135.318
where: short stacking energy: -84.188
Base-Backbone interact. energy: 1.021
local terms energy: -104.334535
where:
bonds (distance) C4'-P energy: -20.840
bonds (distance) P-C4' energy: -26.994
flat angles C4'-P-C4' energy: -21.967
flat angles P-C4'-P energy: -23.588
tors. eta vs tors. theta energy: -10.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -315.633282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.633282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.633282 (E_RNA)
where:
Base-Base interactions energy: -201.726
where: short stacking energy: -94.619
Base-Backbone interact. energy: -0.306
local terms energy: -113.601135
where:
bonds (distance) C4'-P energy: -27.762
bonds (distance) P-C4' energy: -23.183
flat angles C4'-P-C4' energy: -28.736
flat angles P-C4'-P energy: -14.725
tors. eta vs tors. theta energy: -19.195
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: 8
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -607.676569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.676569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.676569 (E_RNA)
where:
Base-Base interactions energy: -422.122
where: short stacking energy: -184.177
Base-Backbone interact. energy: -2.541
local terms energy: -183.013773
where:
bonds (distance) C4'-P energy: -33.576
bonds (distance) P-C4' energy: -37.441
flat angles C4'-P-C4' energy: -40.828
flat angles P-C4'-P energy: -25.264
tors. eta vs tors. theta energy: -45.904
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: 1
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -545.863119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.863119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.863119 (E_RNA)
where:
Base-Base interactions energy: -373.323
where: short stacking energy: -157.211
Base-Backbone interact. energy: 0.278
local terms energy: -172.818303
where:
bonds (distance) C4'-P energy: -38.961
bonds (distance) P-C4' energy: -32.023
flat angles C4'-P-C4' energy: -35.495
flat angles P-C4'-P energy: -28.960
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: 3, replica: 9
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -580.369213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.369213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.369213 (E_RNA)
where:
Base-Base interactions energy: -399.886
where: short stacking energy: -179.693
Base-Backbone interact. energy: -0.186
local terms energy: -180.297224
where:
bonds (distance) C4'-P energy: -34.076
bonds (distance) P-C4' energy: -32.323
flat angles C4'-P-C4' energy: -39.545
flat angles P-C4'-P energy: -24.499
tors. eta vs tors. theta energy: -49.855
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: 2
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -542.040449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.040449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.040449 (E_RNA)
where:
Base-Base interactions energy: -364.617
where: short stacking energy: -152.910
Base-Backbone interact. energy: -0.620
local terms energy: -176.802987
where:
bonds (distance) C4'-P energy: -37.585
bonds (distance) P-C4' energy: -31.711
flat angles C4'-P-C4' energy: -40.761
flat angles P-C4'-P energy: -21.586
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: 6
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -507.291545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.291545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.291545 (E_RNA)
where:
Base-Base interactions energy: -346.202
where: short stacking energy: -145.647
Base-Backbone interact. energy: -0.007
local terms energy: -161.083135
where:
bonds (distance) C4'-P energy: -30.153
bonds (distance) P-C4' energy: -31.000
flat angles C4'-P-C4' energy: -33.548
flat angles P-C4'-P energy: -24.554
tors. eta vs tors. theta energy: -41.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -489.314509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.314509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.314509 (E_RNA)
where:
Base-Base interactions energy: -333.359
where: short stacking energy: -136.124
Base-Backbone interact. energy: -0.132
local terms energy: -155.824067
where:
bonds (distance) C4'-P energy: -33.388
bonds (distance) P-C4' energy: -30.435
flat angles C4'-P-C4' energy: -35.398
flat angles P-C4'-P energy: -24.419
tors. eta vs tors. theta energy: -32.183
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: 5
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -501.244664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.244664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.244664 (E_RNA)
where:
Base-Base interactions energy: -351.023
where: short stacking energy: -165.703
Base-Backbone interact. energy: 0.449
local terms energy: -150.670262
where:
bonds (distance) C4'-P energy: -22.013
bonds (distance) P-C4' energy: -32.359
flat angles C4'-P-C4' energy: -35.572
flat angles P-C4'-P energy: -19.513
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: 8, replica: 10
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -432.357490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.357490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.357490 (E_RNA)
where:
Base-Base interactions energy: -298.532
where: short stacking energy: -128.165
Base-Backbone interact. energy: -0.634
local terms energy: -133.191680
where:
bonds (distance) C4'-P energy: -25.545
bonds (distance) P-C4' energy: -28.370
flat angles C4'-P-C4' energy: -21.724
flat angles P-C4'-P energy: -27.504
tors. eta vs tors. theta energy: -30.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -332.041873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.041873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.041873 (E_RNA)
where:
Base-Base interactions energy: -215.103
where: short stacking energy: -102.151
Base-Backbone interact. energy: 0.275
local terms energy: -117.213471
where:
bonds (distance) C4'-P energy: -19.332
bonds (distance) P-C4' energy: -29.117
flat angles C4'-P-C4' energy: -28.417
flat angles P-C4'-P energy: -22.399
tors. eta vs tors. theta energy: -17.948
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: 3
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -210.454435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.454435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.454435 (E_RNA)
where:
Base-Base interactions energy: -97.902
where: short stacking energy: -58.685
Base-Backbone interact. energy: -0.992
local terms energy: -111.560072
where:
bonds (distance) C4'-P energy: -28.038
bonds (distance) P-C4' energy: -35.348
flat angles C4'-P-C4' energy: -28.550
flat angles P-C4'-P energy: -16.734
tors. eta vs tors. theta energy: -2.890
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: 8
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -582.786716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.786716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.786716 (E_RNA)
where:
Base-Base interactions energy: -411.983
where: short stacking energy: -162.955
Base-Backbone interact. energy: -0.340
local terms energy: -170.463693
where:
bonds (distance) C4'-P energy: -39.720
bonds (distance) P-C4' energy: -32.068
flat angles C4'-P-C4' energy: -32.926
flat angles P-C4'-P energy: -24.387
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: 2, replica: 9
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -596.361555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.361555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.361555 (E_RNA)
where:
Base-Base interactions energy: -434.330
where: short stacking energy: -177.840
Base-Backbone interact. energy: -0.272
local terms energy: -161.759276
where:
bonds (distance) C4'-P energy: -26.753
bonds (distance) P-C4' energy: -29.538
flat angles C4'-P-C4' energy: -34.980
flat angles P-C4'-P energy: -24.287
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: 3, replica: 1
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -556.142534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.142534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.142534 (E_RNA)
where:
Base-Base interactions energy: -393.979
where: short stacking energy: -163.297
Base-Backbone interact. energy: -1.625
local terms energy: -160.538410
where:
bonds (distance) C4'-P energy: -27.391
bonds (distance) P-C4' energy: -28.582
flat angles C4'-P-C4' energy: -33.646
flat angles P-C4'-P energy: -26.433
tors. eta vs tors. theta energy: -44.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -570.271974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.271974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.271974 (E_RNA)
where:
Base-Base interactions energy: -391.840
where: short stacking energy: -170.363
Base-Backbone interact. energy: 1.287
local terms energy: -179.718930
where:
bonds (distance) C4'-P energy: -35.614
bonds (distance) P-C4' energy: -31.201
flat angles C4'-P-C4' energy: -40.279
flat angles P-C4'-P energy: -23.743
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: 5, replica: 6
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -494.166400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.166400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.166400 (E_RNA)
where:
Base-Base interactions energy: -335.274
where: short stacking energy: -148.429
Base-Backbone interact. energy: 0.684
local terms energy: -159.576310
where:
bonds (distance) C4'-P energy: -33.657
bonds (distance) P-C4' energy: -32.318
flat angles C4'-P-C4' energy: -31.720
flat angles P-C4'-P energy: -24.278
tors. eta vs tors. theta energy: -37.602
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: 6, replica: 5
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -507.051189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.051189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.051189 (E_RNA)
where:
Base-Base interactions energy: -354.372
where: short stacking energy: -147.801
Base-Backbone interact. energy: -0.029
local terms energy: -152.649472
where:
bonds (distance) C4'-P energy: -29.073
bonds (distance) P-C4' energy: -29.707
flat angles C4'-P-C4' energy: -27.982
flat angles P-C4'-P energy: -23.772
tors. eta vs tors. theta energy: -42.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -492.245602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.245602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.245602 (E_RNA)
where:
Base-Base interactions energy: -351.881
where: short stacking energy: -149.145
Base-Backbone interact. energy: -0.111
local terms energy: -140.253786
where:
bonds (distance) C4'-P energy: -26.840
bonds (distance) P-C4' energy: -26.574
flat angles C4'-P-C4' energy: -33.081
flat angles P-C4'-P energy: -21.441
tors. eta vs tors. theta energy: -32.317
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: 469
Temperature: 1.250000
Total energy: -395.634925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.634925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.634925 (E_RNA)
where:
Base-Base interactions energy: -277.167
where: short stacking energy: -127.063
Base-Backbone interact. energy: -1.158
local terms energy: -117.309357
where:
bonds (distance) C4'-P energy: -20.455
bonds (distance) P-C4' energy: -31.631
flat angles C4'-P-C4' energy: -28.377
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -24.472
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: 9, replica: 4
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -347.626959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.626959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.626959 (E_RNA)
where:
Base-Base interactions energy: -217.906
where: short stacking energy: -105.668
Base-Backbone interact. energy: -0.398
local terms energy: -129.323353
where:
bonds (distance) C4'-P energy: -26.318
bonds (distance) P-C4' energy: -26.874
flat angles C4'-P-C4' energy: -26.679
flat angles P-C4'-P energy: -23.792
tors. eta vs tors. theta energy: -25.660
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: 3
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -213.986121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.986121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.986121 (E_RNA)
where:
Base-Base interactions energy: -107.533
where: short stacking energy: -61.798
Base-Backbone interact. energy: -1.457
local terms energy: -104.996675
where:
bonds (distance) C4'-P energy: -21.696
bonds (distance) P-C4' energy: -27.324
flat angles C4'-P-C4' energy: -28.914
flat angles P-C4'-P energy: -18.856
tors. eta vs tors. theta energy: -8.208
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: 9
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -604.934465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.934465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.934465 (E_RNA)
where:
Base-Base interactions energy: -421.098
where: short stacking energy: -171.941
Base-Backbone interact. energy: -0.299
local terms energy: -183.537499
where:
bonds (distance) C4'-P energy: -29.989
bonds (distance) P-C4' energy: -34.501
flat angles C4'-P-C4' energy: -38.307
flat angles P-C4'-P energy: -30.684
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: 2, replica: 8
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -588.601569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.601569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.601569 (E_RNA)
where:
Base-Base interactions energy: -406.366
where: short stacking energy: -175.232
Base-Backbone interact. energy: -1.634
local terms energy: -180.600637
where:
bonds (distance) C4'-P energy: -31.240
bonds (distance) P-C4' energy: -36.747
flat angles C4'-P-C4' energy: -40.320
flat angles P-C4'-P energy: -28.123
tors. eta vs tors. theta energy: -44.170
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: 470
Temperature: 1.000000
Total energy: -564.634704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.634704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.634704 (E_RNA)
where:
Base-Base interactions energy: -383.872
where: short stacking energy: -165.759
Base-Backbone interact. energy: -1.199
local terms energy: -179.563225
where:
bonds (distance) C4'-P energy: -35.020
bonds (distance) P-C4' energy: -40.637
flat angles C4'-P-C4' energy: -38.975
flat angles P-C4'-P energy: -18.545
tors. eta vs tors. theta energy: -46.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -556.262316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.262316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.262316 (E_RNA)
where:
Base-Base interactions energy: -380.082
where: short stacking energy: -159.713
Base-Backbone interact. energy: -0.578
local terms energy: -175.602136
where:
bonds (distance) C4'-P energy: -34.088
bonds (distance) P-C4' energy: -27.679
flat angles C4'-P-C4' energy: -43.357
flat angles P-C4'-P energy: -26.882
tors. eta vs tors. theta energy: -43.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -531.997832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.997832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.997832 (E_RNA)
where:
Base-Base interactions energy: -369.596
where: short stacking energy: -151.233
Base-Backbone interact. energy: -0.335
local terms energy: -162.066525
where:
bonds (distance) C4'-P energy: -29.816
bonds (distance) P-C4' energy: -32.484
flat angles C4'-P-C4' energy: -31.021
flat angles P-C4'-P energy: -23.658
tors. eta vs tors. theta energy: -45.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -475.718060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.718060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.718060 (E_RNA)
where:
Base-Base interactions energy: -328.403
where: short stacking energy: -145.255
Base-Backbone interact. energy: -0.260
local terms energy: -147.055296
where:
bonds (distance) C4'-P energy: -22.454
bonds (distance) P-C4' energy: -33.021
flat angles C4'-P-C4' energy: -37.391
flat angles P-C4'-P energy: -20.615
tors. eta vs tors. theta energy: -33.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -492.833181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.833181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.833181 (E_RNA)
where:
Base-Base interactions energy: -351.378
where: short stacking energy: -134.584
Base-Backbone interact. energy: -1.139
local terms energy: -140.315457
where:
bonds (distance) C4'-P energy: -29.089
bonds (distance) P-C4' energy: -22.920
flat angles C4'-P-C4' energy: -32.162
flat angles P-C4'-P energy: -23.184
tors. eta vs tors. theta energy: -32.960
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: 10
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -442.215897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.215897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.215897 (E_RNA)
where:
Base-Base interactions energy: -302.303
where: short stacking energy: -117.155
Base-Backbone interact. energy: -0.704
local terms energy: -139.209498
where:
bonds (distance) C4'-P energy: -19.970
bonds (distance) P-C4' energy: -31.753
flat angles C4'-P-C4' energy: -31.122
flat angles P-C4'-P energy: -28.525
tors. eta vs tors. theta energy: -27.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -326.552552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.552552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.552552 (E_RNA)
where:
Base-Base interactions energy: -190.472
where: short stacking energy: -97.461
Base-Backbone interact. energy: -0.690
local terms energy: -135.390613
where:
bonds (distance) C4'-P energy: -27.147
bonds (distance) P-C4' energy: -31.399
flat angles C4'-P-C4' energy: -33.720
flat angles P-C4'-P energy: -21.339
tors. eta vs tors. theta energy: -21.785
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: 3
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -233.842914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.842914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.842914 (E_RNA)
where:
Base-Base interactions energy: -120.727
where: short stacking energy: -62.507
Base-Backbone interact. energy: -1.085
local terms energy: -112.030700
where:
bonds (distance) C4'-P energy: -27.326
bonds (distance) P-C4' energy: -36.850
flat angles C4'-P-C4' energy: -25.208
flat angles P-C4'-P energy: -17.398
tors. eta vs tors. theta energy: -5.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -610.112468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.112468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.112468 (E_RNA)
where:
Base-Base interactions energy: -427.397
where: short stacking energy: -187.147
Base-Backbone interact. energy: -0.900
local terms energy: -181.815214
where:
bonds (distance) C4'-P energy: -26.681
bonds (distance) P-C4' energy: -35.462
flat angles C4'-P-C4' energy: -42.277
flat angles P-C4'-P energy: -27.121
tors. eta vs tors. theta energy: -50.274
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: 2, replica: 2
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -577.941551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.941551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.941551 (E_RNA)
where:
Base-Base interactions energy: -401.780
where: short stacking energy: -173.539
Base-Backbone interact. energy: -1.704
local terms energy: -174.457891
where:
bonds (distance) C4'-P energy: -32.539
bonds (distance) P-C4' energy: -37.893
flat angles C4'-P-C4' energy: -35.677
flat angles P-C4'-P energy: -21.417
tors. eta vs tors. theta energy: -46.931
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: 3, replica: 8
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -578.661714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.661714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.661714 (E_RNA)
where:
Base-Base interactions energy: -400.889
where: short stacking energy: -168.622
Base-Backbone interact. energy: 0.083
local terms energy: -177.856382
where:
bonds (distance) C4'-P energy: -30.204
bonds (distance) P-C4' energy: -37.119
flat angles C4'-P-C4' energy: -39.489
flat angles P-C4'-P energy: -24.919
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: 4, replica: 1
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -557.728772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.728772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.728772 (E_RNA)
where:
Base-Base interactions energy: -387.443
where: short stacking energy: -149.596
Base-Backbone interact. energy: 0.771
local terms energy: -171.056667
where:
bonds (distance) C4'-P energy: -31.224
bonds (distance) P-C4' energy: -35.028
flat angles C4'-P-C4' energy: -38.652
flat angles P-C4'-P energy: -23.126
tors. eta vs tors. theta energy: -43.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -553.963958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.963958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.963958 (E_RNA)
where:
Base-Base interactions energy: -390.232
where: short stacking energy: -164.253
Base-Backbone interact. energy: -0.710
local terms energy: -163.021950
where:
bonds (distance) C4'-P energy: -25.859
bonds (distance) P-C4' energy: -26.781
flat angles C4'-P-C4' energy: -37.036
flat angles P-C4'-P energy: -29.374
tors. eta vs tors. theta energy: -43.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -521.599335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.599335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.599335 (E_RNA)
where:
Base-Base interactions energy: -361.891
where: short stacking energy: -151.964
Base-Backbone interact. energy: -2.468
local terms energy: -157.240317
where:
bonds (distance) C4'-P energy: -30.549
bonds (distance) P-C4' energy: -37.290
flat angles C4'-P-C4' energy: -29.231
flat angles P-C4'-P energy: -18.711
tors. eta vs tors. theta energy: -41.460
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: 6
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -431.962141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.962141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.962141 (E_RNA)
where:
Base-Base interactions energy: -299.662
where: short stacking energy: -116.506
Base-Backbone interact. energy: -0.683
local terms energy: -131.616474
where:
bonds (distance) C4'-P energy: -35.903
bonds (distance) P-C4' energy: -27.933
flat angles C4'-P-C4' energy: -28.958
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -24.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -450.501786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.501786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.501786 (E_RNA)
where:
Base-Base interactions energy: -311.300
where: short stacking energy: -127.902
Base-Backbone interact. energy: -0.909
local terms energy: -138.293001
where:
bonds (distance) C4'-P energy: -30.432
bonds (distance) P-C4' energy: -28.518
flat angles C4'-P-C4' energy: -25.817
flat angles P-C4'-P energy: -22.350
tors. eta vs tors. theta energy: -31.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -334.273626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.273626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.273626 (E_RNA)
where:
Base-Base interactions energy: -198.795
where: short stacking energy: -97.901
Base-Backbone interact. energy: -0.085
local terms energy: -135.393649
where:
bonds (distance) C4'-P energy: -26.876
bonds (distance) P-C4' energy: -29.898
flat angles C4'-P-C4' energy: -36.657
flat angles P-C4'-P energy: -20.520
tors. eta vs tors. theta energy: -21.442
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: 471
Temperature: 1.350000
Total energy: -241.225351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.225351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.225351 (E_RNA)
where:
Base-Base interactions energy: -125.961
where: short stacking energy: -74.363
Base-Backbone interact. energy: 2.168
local terms energy: -117.432490
where:
bonds (distance) C4'-P energy: -26.947
bonds (distance) P-C4' energy: -27.322
flat angles C4'-P-C4' energy: -32.884
flat angles P-C4'-P energy: -17.248
tors. eta vs tors. theta energy: -13.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -616.180923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.180923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.180923 (E_RNA)
where:
Base-Base interactions energy: -422.869
where: short stacking energy: -180.392
Base-Backbone interact. energy: -0.896
local terms energy: -192.416092
where:
bonds (distance) C4'-P energy: -34.438
bonds (distance) P-C4' energy: -41.885
flat angles C4'-P-C4' energy: -37.886
flat angles P-C4'-P energy: -25.262
tors. eta vs tors. theta energy: -52.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -597.888713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.888713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.888713 (E_RNA)
where:
Base-Base interactions energy: -413.351
where: short stacking energy: -176.172
Base-Backbone interact. energy: -0.901
local terms energy: -183.636464
where:
bonds (distance) C4'-P energy: -32.458
bonds (distance) P-C4' energy: -35.661
flat angles C4'-P-C4' energy: -35.623
flat angles P-C4'-P energy: -29.444
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: 3, replica: 1
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -579.522563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.522563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.522563 (E_RNA)
where:
Base-Base interactions energy: -397.381
where: short stacking energy: -165.836
Base-Backbone interact. energy: -2.651
local terms energy: -179.490018
where:
bonds (distance) C4'-P energy: -31.739
bonds (distance) P-C4' energy: -36.676
flat angles C4'-P-C4' energy: -33.806
flat angles P-C4'-P energy: -29.207
tors. eta vs tors. theta energy: -48.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -570.438960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.438960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.438960 (E_RNA)
where:
Base-Base interactions energy: -401.213
where: short stacking energy: -173.370
Base-Backbone interact. energy: -1.698
local terms energy: -167.527894
where:
bonds (distance) C4'-P energy: -38.012
bonds (distance) P-C4' energy: -31.709
flat angles C4'-P-C4' energy: -35.081
flat angles P-C4'-P energy: -22.773
tors. eta vs tors. theta energy: -39.952
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: 7
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -510.527804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.527804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.527804 (E_RNA)
where:
Base-Base interactions energy: -362.697
where: short stacking energy: -163.260
Base-Backbone interact. energy: 0.831
local terms energy: -148.661779
where:
bonds (distance) C4'-P energy: -20.831
bonds (distance) P-C4' energy: -36.955
flat angles C4'-P-C4' energy: -32.676
flat angles P-C4'-P energy: -21.691
tors. eta vs tors. theta energy: -36.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -553.419562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.419562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.419562 (E_RNA)
where:
Base-Base interactions energy: -382.364
where: short stacking energy: -173.062
Base-Backbone interact. energy: -0.471
local terms energy: -170.584888
where:
bonds (distance) C4'-P energy: -28.789
bonds (distance) P-C4' energy: -32.176
flat angles C4'-P-C4' energy: -35.747
flat angles P-C4'-P energy: -23.983
tors. eta vs tors. theta energy: -49.890
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: 6
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -454.787759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.787759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.787759 (E_RNA)
where:
Base-Base interactions energy: -307.507
where: short stacking energy: -145.116
Base-Backbone interact. energy: -0.208
local terms energy: -147.072511
where:
bonds (distance) C4'-P energy: -25.752
bonds (distance) P-C4' energy: -28.550
flat angles C4'-P-C4' energy: -31.352
flat angles P-C4'-P energy: -22.449
tors. eta vs tors. theta energy: -38.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -389.617319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.617319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.617319 (E_RNA)
where:
Base-Base interactions energy: -275.284
where: short stacking energy: -120.494
Base-Backbone interact. energy: 0.925
local terms energy: -115.257871
where:
bonds (distance) C4'-P energy: -19.817
bonds (distance) P-C4' energy: -29.944
flat angles C4'-P-C4' energy: -27.387
flat angles P-C4'-P energy: -20.066
tors. eta vs tors. theta energy: -18.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -342.464908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.464908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.464908 (E_RNA)
where:
Base-Base interactions energy: -217.138
where: short stacking energy: -109.753
Base-Backbone interact. energy: -0.878
local terms energy: -124.448629
where:
bonds (distance) C4'-P energy: -24.306
bonds (distance) P-C4' energy: -28.289
flat angles C4'-P-C4' energy: -30.885
flat angles P-C4'-P energy: -19.805
tors. eta vs tors. theta energy: -21.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -244.694611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.694611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.694611 (E_RNA)
where:
Base-Base interactions energy: -129.262
where: short stacking energy: -70.037
Base-Backbone interact. energy: 0.221
local terms energy: -115.652897
where:
bonds (distance) C4'-P energy: -30.534
bonds (distance) P-C4' energy: -34.034
flat angles C4'-P-C4' energy: -22.427
flat angles P-C4'-P energy: -20.153
tors. eta vs tors. theta energy: -8.506
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: 9
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -606.522368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.522368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.522368 (E_RNA)
where:
Base-Base interactions energy: -419.576
where: short stacking energy: -180.149
Base-Backbone interact. energy: 0.390
local terms energy: -187.335887
where:
bonds (distance) C4'-P energy: -34.427
bonds (distance) P-C4' energy: -31.899
flat angles C4'-P-C4' energy: -38.329
flat angles P-C4'-P energy: -31.409
tors. eta vs tors. theta energy: -51.272
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: 2
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -580.614244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.614244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.614244 (E_RNA)
where:
Base-Base interactions energy: -409.856
where: short stacking energy: -162.021
Base-Backbone interact. energy: -1.652
local terms energy: -169.106478
where:
bonds (distance) C4'-P energy: -33.223
bonds (distance) P-C4' energy: -30.931
flat angles C4'-P-C4' energy: -33.338
flat angles P-C4'-P energy: -27.293
tors. eta vs tors. theta energy: -44.321
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: 1
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -572.837453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.837453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.837453 (E_RNA)
where:
Base-Base interactions energy: -406.958
where: short stacking energy: -163.960
Base-Backbone interact. energy: 0.606
local terms energy: -166.484971
where:
bonds (distance) C4'-P energy: -35.159
bonds (distance) P-C4' energy: -31.913
flat angles C4'-P-C4' energy: -34.608
flat angles P-C4'-P energy: -21.134
tors. eta vs tors. theta energy: -43.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -561.216050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.216050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.216050 (E_RNA)
where:
Base-Base interactions energy: -384.711
where: short stacking energy: -175.209
Base-Backbone interact. energy: -0.686
local terms energy: -175.819505
where:
bonds (distance) C4'-P energy: -38.580
bonds (distance) P-C4' energy: -31.763
flat angles C4'-P-C4' energy: -39.970
flat angles P-C4'-P energy: -25.228
tors. eta vs tors. theta energy: -40.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -510.008896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.008896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.008896 (E_RNA)
where:
Base-Base interactions energy: -354.462
where: short stacking energy: -155.089
Base-Backbone interact. energy: -0.036
local terms energy: -155.510903
where:
bonds (distance) C4'-P energy: -17.705
bonds (distance) P-C4' energy: -32.698
flat angles C4'-P-C4' energy: -37.090
flat angles P-C4'-P energy: -24.497
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: 6, replica: 5
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -526.104105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.104105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.104105 (E_RNA)
where:
Base-Base interactions energy: -356.897
where: short stacking energy: -162.445
Base-Backbone interact. energy: 0.322
local terms energy: -169.528229
where:
bonds (distance) C4'-P energy: -31.734
bonds (distance) P-C4' energy: -28.689
flat angles C4'-P-C4' energy: -38.403
flat angles P-C4'-P energy: -26.847
tors. eta vs tors. theta energy: -43.855
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: 6
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -457.769872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.769872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.769872 (E_RNA)
where:
Base-Base interactions energy: -314.250
where: short stacking energy: -130.696
Base-Backbone interact. energy: -1.023
local terms energy: -142.497320
where:
bonds (distance) C4'-P energy: -24.795
bonds (distance) P-C4' energy: -28.898
flat angles C4'-P-C4' energy: -29.659
flat angles P-C4'-P energy: -24.187
tors. eta vs tors. theta energy: -34.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -353.107536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.107536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.107536 (E_RNA)
where:
Base-Base interactions energy: -229.590
where: short stacking energy: -119.341
Base-Backbone interact. energy: 0.170
local terms energy: -123.688224
where:
bonds (distance) C4'-P energy: -31.277
bonds (distance) P-C4' energy: -26.234
flat angles C4'-P-C4' energy: -33.262
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: -26.330
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: 473
Temperature: 1.300000
Total energy: -424.809003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.809003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.809003 (E_RNA)
where:
Base-Base interactions energy: -279.991
where: short stacking energy: -121.244
Base-Backbone interact. energy: -0.797
local terms energy: -144.021278
where:
bonds (distance) C4'-P energy: -29.804
bonds (distance) P-C4' energy: -32.657
flat angles C4'-P-C4' energy: -31.981
flat angles P-C4'-P energy: -21.359
tors. eta vs tors. theta energy: -28.219
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: 473
Temperature: 1.350000
Total energy: -196.889649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.889649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.889649 (E_RNA)
where:
Base-Base interactions energy: -98.550
where: short stacking energy: -49.709
Base-Backbone interact. energy: -1.114
local terms energy: -97.225848
where:
bonds (distance) C4'-P energy: -32.096
bonds (distance) P-C4' energy: -32.355
flat angles C4'-P-C4' energy: -26.002
flat angles P-C4'-P energy: -14.731
tors. eta vs tors. theta energy: 7.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -592.938598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.938598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.938598 (E_RNA)
where:
Base-Base interactions energy: -402.711
where: short stacking energy: -164.977
Base-Backbone interact. energy: -1.609
local terms energy: -188.618371
where:
bonds (distance) C4'-P energy: -34.536
bonds (distance) P-C4' energy: -38.089
flat angles C4'-P-C4' energy: -36.114
flat angles P-C4'-P energy: -30.841
tors. eta vs tors. theta energy: -49.038
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: 9
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -592.676371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.676371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.676371 (E_RNA)
where:
Base-Base interactions energy: -414.479
where: short stacking energy: -181.925
Base-Backbone interact. energy: -0.356
local terms energy: -177.840981
where:
bonds (distance) C4'-P energy: -29.561
bonds (distance) P-C4' energy: -30.532
flat angles C4'-P-C4' energy: -38.843
flat angles P-C4'-P energy: -30.099
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: 3, replica: 1
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -569.954831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.954831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.954831 (E_RNA)
where:
Base-Base interactions energy: -392.778
where: short stacking energy: -157.360
Base-Backbone interact. energy: -0.754
local terms energy: -176.422758
where:
bonds (distance) C4'-P energy: -31.522
bonds (distance) P-C4' energy: -37.977
flat angles C4'-P-C4' energy: -35.765
flat angles P-C4'-P energy: -26.896
tors. eta vs tors. theta energy: -44.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -577.349517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.349517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.349517 (E_RNA)
where:
Base-Base interactions energy: -400.840
where: short stacking energy: -162.114
Base-Backbone interact. energy: -0.003
local terms energy: -176.506564
where:
bonds (distance) C4'-P energy: -35.438
bonds (distance) P-C4' energy: -34.690
flat angles C4'-P-C4' energy: -34.939
flat angles P-C4'-P energy: -29.303
tors. eta vs tors. theta energy: -42.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -534.864726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.864726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.864726 (E_RNA)
where:
Base-Base interactions energy: -365.604
where: short stacking energy: -172.350
Base-Backbone interact. energy: -0.093
local terms energy: -169.167931
where:
bonds (distance) C4'-P energy: -29.671
bonds (distance) P-C4' energy: -23.283
flat angles C4'-P-C4' energy: -37.393
flat angles P-C4'-P energy: -26.871
tors. eta vs tors. theta energy: -51.950
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: 7
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -501.690630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.690630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.690630 (E_RNA)
where:
Base-Base interactions energy: -362.825
where: short stacking energy: -135.569
Base-Backbone interact. energy: -0.654
local terms energy: -138.211140
where:
bonds (distance) C4'-P energy: -20.666
bonds (distance) P-C4' energy: -27.821
flat angles C4'-P-C4' energy: -36.680
flat angles P-C4'-P energy: -17.174
tors. eta vs tors. theta energy: -35.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -484.119840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.119840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.119840 (E_RNA)
where:
Base-Base interactions energy: -348.247
where: short stacking energy: -152.057
Base-Backbone interact. energy: -0.069
local terms energy: -135.803843
where:
bonds (distance) C4'-P energy: -22.280
bonds (distance) P-C4' energy: -24.230
flat angles C4'-P-C4' energy: -29.620
flat angles P-C4'-P energy: -21.335
tors. eta vs tors. theta energy: -38.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -330.795088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.795088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.795088 (E_RNA)
where:
Base-Base interactions energy: -207.365
where: short stacking energy: -111.011
Base-Backbone interact. energy: -0.762
local terms energy: -122.667821
where:
bonds (distance) C4'-P energy: -19.853
bonds (distance) P-C4' energy: -34.003
flat angles C4'-P-C4' energy: -26.756
flat angles P-C4'-P energy: -18.855
tors. eta vs tors. theta energy: -23.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -415.398837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.398837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.398837 (E_RNA)
where:
Base-Base interactions energy: -285.525
where: short stacking energy: -115.052
Base-Backbone interact. energy: -1.229
local terms energy: -128.644806
where:
bonds (distance) C4'-P energy: -33.409
bonds (distance) P-C4' energy: -26.322
flat angles C4'-P-C4' energy: -22.303
flat angles P-C4'-P energy: -21.539
tors. eta vs tors. theta energy: -25.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -196.838262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.838262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.838262 (E_RNA)
where:
Base-Base interactions energy: -88.765
where: short stacking energy: -56.022
Base-Backbone interact. energy: -0.394
local terms energy: -107.679283
where:
bonds (distance) C4'-P energy: -34.352
bonds (distance) P-C4' energy: -28.007
flat angles C4'-P-C4' energy: -22.128
flat angles P-C4'-P energy: -26.362
tors. eta vs tors. theta energy: 3.171
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: 2
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -608.708538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.708538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.708538 (E_RNA)
where:
Base-Base interactions energy: -420.268
where: short stacking energy: -181.424
Base-Backbone interact. energy: 1.004
local terms energy: -189.444505
where:
bonds (distance) C4'-P energy: -33.695
bonds (distance) P-C4' energy: -35.740
flat angles C4'-P-C4' energy: -41.712
flat angles P-C4'-P energy: -30.383
tors. eta vs tors. theta energy: -47.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -602.794834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.794834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.794834 (E_RNA)
where:
Base-Base interactions energy: -417.268
where: short stacking energy: -191.378
Base-Backbone interact. energy: -0.029
local terms energy: -185.498189
where:
bonds (distance) C4'-P energy: -34.998
bonds (distance) P-C4' energy: -32.009
flat angles C4'-P-C4' energy: -34.933
flat angles P-C4'-P energy: -28.405
tors. eta vs tors. theta energy: -55.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -557.986270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.986270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.986270 (E_RNA)
where:
Base-Base interactions energy: -395.019
where: short stacking energy: -142.465
Base-Backbone interact. energy: -2.149
local terms energy: -160.817982
where:
bonds (distance) C4'-P energy: -25.446
bonds (distance) P-C4' energy: -33.754
flat angles C4'-P-C4' energy: -35.627
flat angles P-C4'-P energy: -24.293
tors. eta vs tors. theta energy: -41.698
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: 8
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -566.199490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.199490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.199490 (E_RNA)
where:
Base-Base interactions energy: -403.855
where: short stacking energy: -166.363
Base-Backbone interact. energy: -2.698
local terms energy: -159.646251
where:
bonds (distance) C4'-P energy: -34.320
bonds (distance) P-C4' energy: -29.924
flat angles C4'-P-C4' energy: -33.596
flat angles P-C4'-P energy: -20.872
tors. eta vs tors. theta energy: -40.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -539.400026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.400026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.400026 (E_RNA)
where:
Base-Base interactions energy: -365.499
where: short stacking energy: -164.323
Base-Backbone interact. energy: -1.364
local terms energy: -172.537298
where:
bonds (distance) C4'-P energy: -28.909
bonds (distance) P-C4' energy: -32.826
flat angles C4'-P-C4' energy: -38.318
flat angles P-C4'-P energy: -20.699
tors. eta vs tors. theta energy: -51.785
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: 6, replica: 6
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -507.303991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.303991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.303991 (E_RNA)
where:
Base-Base interactions energy: -354.050
where: short stacking energy: -156.185
Base-Backbone interact. energy: 1.133
local terms energy: -154.386725
where:
bonds (distance) C4'-P energy: -35.165
bonds (distance) P-C4' energy: -24.030
flat angles C4'-P-C4' energy: -32.170
flat angles P-C4'-P energy: -24.886
tors. eta vs tors. theta energy: -38.136
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: 7
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -484.011721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.011721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.011721 (E_RNA)
where:
Base-Base interactions energy: -338.858
where: short stacking energy: -141.273
Base-Backbone interact. energy: 1.880
local terms energy: -147.033932
where:
bonds (distance) C4'-P energy: -28.747
bonds (distance) P-C4' energy: -21.038
flat angles C4'-P-C4' energy: -38.274
flat angles P-C4'-P energy: -27.801
tors. eta vs tors. theta energy: -31.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -414.959210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.959210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.959210 (E_RNA)
where:
Base-Base interactions energy: -269.757
where: short stacking energy: -126.330
Base-Backbone interact. energy: -0.118
local terms energy: -145.083999
where:
bonds (distance) C4'-P energy: -28.109
bonds (distance) P-C4' energy: -31.203
flat angles C4'-P-C4' energy: -33.386
flat angles P-C4'-P energy: -17.584
tors. eta vs tors. theta energy: -34.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -330.205931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.205931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.205931 (E_RNA)
where:
Base-Base interactions energy: -206.600
where: short stacking energy: -107.793
Base-Backbone interact. energy: 0.011
local terms energy: -123.617519
where:
bonds (distance) C4'-P energy: -27.310
bonds (distance) P-C4' energy: -28.419
flat angles C4'-P-C4' energy: -25.627
flat angles P-C4'-P energy: -18.031
tors. eta vs tors. theta energy: -24.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -178.317621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.317621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.317621 (E_RNA)
where:
Base-Base interactions energy: -67.650
where: short stacking energy: -59.303
Base-Backbone interact. energy: -0.738
local terms energy: -109.930018
where:
bonds (distance) C4'-P energy: -24.095
bonds (distance) P-C4' energy: -28.879
flat angles C4'-P-C4' energy: -33.160
flat angles P-C4'-P energy: -14.651
tors. eta vs tors. theta energy: -9.145
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: 476
Temperature: 0.900000
Total energy: -605.775111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.775111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.775111 (E_RNA)
where:
Base-Base interactions energy: -419.023
where: short stacking energy: -176.188
Base-Backbone interact. energy: -0.161
local terms energy: -186.590353
where:
bonds (distance) C4'-P energy: -37.083
bonds (distance) P-C4' energy: -31.444
flat angles C4'-P-C4' energy: -38.993
flat angles P-C4'-P energy: -26.007
tors. eta vs tors. theta energy: -53.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -592.230648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.230648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.230648 (E_RNA)
where:
Base-Base interactions energy: -408.607
where: short stacking energy: -178.955
Base-Backbone interact. energy: -1.522
local terms energy: -182.101440
where:
bonds (distance) C4'-P energy: -33.761
bonds (distance) P-C4' energy: -34.419
flat angles C4'-P-C4' energy: -42.028
flat angles P-C4'-P energy: -26.514
tors. eta vs tors. theta energy: -45.380
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: 8
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -579.624362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.624362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.624362 (E_RNA)
where:
Base-Base interactions energy: -425.803
where: short stacking energy: -180.654
Base-Backbone interact. energy: -2.535
local terms energy: -151.285746
where:
bonds (distance) C4'-P energy: -28.826
bonds (distance) P-C4' energy: -28.095
flat angles C4'-P-C4' energy: -33.327
flat angles P-C4'-P energy: -22.061
tors. eta vs tors. theta energy: -38.977
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: 1
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -572.598897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.598897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.598897 (E_RNA)
where:
Base-Base interactions energy: -393.672
where: short stacking energy: -164.111
Base-Backbone interact. energy: -1.120
local terms energy: -177.807060
where:
bonds (distance) C4'-P energy: -34.339
bonds (distance) P-C4' energy: -31.303
flat angles C4'-P-C4' energy: -35.754
flat angles P-C4'-P energy: -28.057
tors. eta vs tors. theta energy: -48.354
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: 5, replica: 6
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -493.960237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.960237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.960237 (E_RNA)
where:
Base-Base interactions energy: -331.248
where: short stacking energy: -132.077
Base-Backbone interact. energy: -0.603
local terms energy: -162.109905
where:
bonds (distance) C4'-P energy: -34.424
bonds (distance) P-C4' energy: -32.291
flat angles C4'-P-C4' energy: -36.154
flat angles P-C4'-P energy: -25.203
tors. eta vs tors. theta energy: -34.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -523.272924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.272924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.272924 (E_RNA)
where:
Base-Base interactions energy: -375.330
where: short stacking energy: -166.866
Base-Backbone interact. energy: -0.361
local terms energy: -147.582009
where:
bonds (distance) C4'-P energy: -27.249
bonds (distance) P-C4' energy: -29.476
flat angles C4'-P-C4' energy: -28.437
flat angles P-C4'-P energy: -17.269
tors. eta vs tors. theta energy: -45.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -487.713995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.713995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.713995 (E_RNA)
where:
Base-Base interactions energy: -343.949
where: short stacking energy: -143.828
Base-Backbone interact. energy: 0.058
local terms energy: -143.822859
where:
bonds (distance) C4'-P energy: -31.854
bonds (distance) P-C4' energy: -22.726
flat angles C4'-P-C4' energy: -34.281
flat angles P-C4'-P energy: -24.579
tors. eta vs tors. theta energy: -30.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -405.077080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.077080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.077080 (E_RNA)
where:
Base-Base interactions energy: -280.137
where: short stacking energy: -130.070
Base-Backbone interact. energy: 0.250
local terms energy: -125.190401
where:
bonds (distance) C4'-P energy: -29.121
bonds (distance) P-C4' energy: -30.032
flat angles C4'-P-C4' energy: -26.514
flat angles P-C4'-P energy: -20.525
tors. eta vs tors. theta energy: -18.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -332.274450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.274450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.274450 (E_RNA)
where:
Base-Base interactions energy: -224.945
where: short stacking energy: -116.160
Base-Backbone interact. energy: 1.666
local terms energy: -108.995185
where:
bonds (distance) C4'-P energy: -25.437
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -28.906
flat angles P-C4'-P energy: -16.953
tors. eta vs tors. theta energy: -19.360
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: 3
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -171.460072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.460072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.460072 (E_RNA)
where:
Base-Base interactions energy: -71.429
where: short stacking energy: -38.167
Base-Backbone interact. energy: 1.423
local terms energy: -101.454338
where:
bonds (distance) C4'-P energy: -33.085
bonds (distance) P-C4' energy: -30.466
flat angles C4'-P-C4' energy: -19.650
flat angles P-C4'-P energy: -19.802
tors. eta vs tors. theta energy: 1.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -614.702452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.702452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.702452 (E_RNA)
where:
Base-Base interactions energy: -422.226
where: short stacking energy: -195.826
Base-Backbone interact. energy: 0.795
local terms energy: -193.271558
where:
bonds (distance) C4'-P energy: -34.689
bonds (distance) P-C4' energy: -33.150
flat angles C4'-P-C4' energy: -41.186
flat angles P-C4'-P energy: -26.575
tors. eta vs tors. theta energy: -57.672
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: 8
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -599.509584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.509584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.509584 (E_RNA)
where:
Base-Base interactions energy: -428.081
where: short stacking energy: -175.386
Base-Backbone interact. energy: 1.401
local terms energy: -172.829867
where:
bonds (distance) C4'-P energy: -34.863
bonds (distance) P-C4' energy: -32.823
flat angles C4'-P-C4' energy: -36.260
flat angles P-C4'-P energy: -26.308
tors. eta vs tors. theta energy: -42.576
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: 2
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -579.312919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.312919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.312919 (E_RNA)
where:
Base-Base interactions energy: -411.002
where: short stacking energy: -167.662
Base-Backbone interact. energy: -0.437
local terms energy: -167.873355
where:
bonds (distance) C4'-P energy: -32.874
bonds (distance) P-C4' energy: -36.429
flat angles C4'-P-C4' energy: -30.590
flat angles P-C4'-P energy: -19.834
tors. eta vs tors. theta energy: -48.147
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: 1
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -581.354263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.354263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.354263 (E_RNA)
where:
Base-Base interactions energy: -407.483
where: short stacking energy: -174.727
Base-Backbone interact. energy: -2.120
local terms energy: -171.751513
where:
bonds (distance) C4'-P energy: -30.939
bonds (distance) P-C4' energy: -32.623
flat angles C4'-P-C4' energy: -33.981
flat angles P-C4'-P energy: -23.260
tors. eta vs tors. theta energy: -50.949
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: 5, replica: 6
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -490.610098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.610098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.610098 (E_RNA)
where:
Base-Base interactions energy: -333.159
where: short stacking energy: -139.712
Base-Backbone interact. energy: -0.142
local terms energy: -157.308695
where:
bonds (distance) C4'-P energy: -31.248
bonds (distance) P-C4' energy: -31.502
flat angles C4'-P-C4' energy: -32.523
flat angles P-C4'-P energy: -22.826
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: 6, replica: 5
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -474.084413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.084413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.084413 (E_RNA)
where:
Base-Base interactions energy: -316.938
where: short stacking energy: -144.810
Base-Backbone interact. energy: -0.494
local terms energy: -156.651713
where:
bonds (distance) C4'-P energy: -28.421
bonds (distance) P-C4' energy: -31.154
flat angles C4'-P-C4' energy: -35.291
flat angles P-C4'-P energy: -23.969
tors. eta vs tors. theta energy: -37.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -467.839669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.839669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.839669 (E_RNA)
where:
Base-Base interactions energy: -306.933
where: short stacking energy: -131.561
Base-Backbone interact. energy: -1.859
local terms energy: -159.048027
where:
bonds (distance) C4'-P energy: -31.268
bonds (distance) P-C4' energy: -34.039
flat angles C4'-P-C4' energy: -35.184
flat angles P-C4'-P energy: -25.364
tors. eta vs tors. theta energy: -33.193
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: 477
Temperature: 1.250000
Total energy: -336.342369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.342369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.342369 (E_RNA)
where:
Base-Base interactions energy: -209.055
where: short stacking energy: -109.645
Base-Backbone interact. energy: -0.373
local terms energy: -126.914880
where:
bonds (distance) C4'-P energy: -28.947
bonds (distance) P-C4' energy: -15.760
flat angles C4'-P-C4' energy: -33.821
flat angles P-C4'-P energy: -20.706
tors. eta vs tors. theta energy: -27.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -371.161475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.161475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.161475 (E_RNA)
where:
Base-Base interactions energy: -251.898
where: short stacking energy: -114.850
Base-Backbone interact. energy: 0.755
local terms energy: -120.018705
where:
bonds (distance) C4'-P energy: -20.766
bonds (distance) P-C4' energy: -32.023
flat angles C4'-P-C4' energy: -24.686
flat angles P-C4'-P energy: -17.220
tors. eta vs tors. theta energy: -25.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -188.642167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.642167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.642167 (E_RNA)
where:
Base-Base interactions energy: -80.862
where: short stacking energy: -55.808
Base-Backbone interact. energy: -0.384
local terms energy: -107.395733
where:
bonds (distance) C4'-P energy: -24.765
bonds (distance) P-C4' energy: -32.085
flat angles C4'-P-C4' energy: -26.851
flat angles P-C4'-P energy: -16.455
tors. eta vs tors. theta energy: -7.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -604.858943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.858943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.858943 (E_RNA)
where:
Base-Base interactions energy: -430.765
where: short stacking energy: -173.857
Base-Backbone interact. energy: -2.039
local terms energy: -172.054959
where:
bonds (distance) C4'-P energy: -32.544
bonds (distance) P-C4' energy: -30.614
flat angles C4'-P-C4' energy: -37.078
flat angles P-C4'-P energy: -26.216
tors. eta vs tors. theta energy: -45.604
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: 9
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -609.805919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.805919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.805919 (E_RNA)
where:
Base-Base interactions energy: -422.776
where: short stacking energy: -197.150
Base-Backbone interact. energy: -0.003
local terms energy: -187.026185
where:
bonds (distance) C4'-P energy: -33.194
bonds (distance) P-C4' energy: -31.763
flat angles C4'-P-C4' energy: -38.557
flat angles P-C4'-P energy: -25.816
tors. eta vs tors. theta energy: -57.696
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: 2
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -575.661250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.661250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.661250 (E_RNA)
where:
Base-Base interactions energy: -410.778
where: short stacking energy: -176.193
Base-Backbone interact. energy: 0.025
local terms energy: -164.908351
where:
bonds (distance) C4'-P energy: -27.064
bonds (distance) P-C4' energy: -33.457
flat angles C4'-P-C4' energy: -39.923
flat angles P-C4'-P energy: -18.152
tors. eta vs tors. theta energy: -46.313
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: 478
Temperature: 1.050000
Total energy: -554.662220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.662220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.662220 (E_RNA)
where:
Base-Base interactions energy: -387.663
where: short stacking energy: -168.109
Base-Backbone interact. energy: -1.093
local terms energy: -165.906008
where:
bonds (distance) C4'-P energy: -29.378
bonds (distance) P-C4' energy: -31.883
flat angles C4'-P-C4' energy: -34.431
flat angles P-C4'-P energy: -22.054
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: 5, replica: 6
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -522.474396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.474396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.474396 (E_RNA)
where:
Base-Base interactions energy: -358.802
where: short stacking energy: -157.958
Base-Backbone interact. energy: 0.242
local terms energy: -163.913928
where:
bonds (distance) C4'-P energy: -30.474
bonds (distance) P-C4' energy: -32.714
flat angles C4'-P-C4' energy: -29.396
flat angles P-C4'-P energy: -23.471
tors. eta vs tors. theta energy: -47.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -455.490779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.490779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.490779 (E_RNA)
where:
Base-Base interactions energy: -301.885
where: short stacking energy: -131.315
Base-Backbone interact. energy: -0.513
local terms energy: -153.092359
where:
bonds (distance) C4'-P energy: -32.878
bonds (distance) P-C4' energy: -34.226
flat angles C4'-P-C4' energy: -28.584
flat angles P-C4'-P energy: -23.023
tors. eta vs tors. theta energy: -34.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -468.315668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.315668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.315668 (E_RNA)
where:
Base-Base interactions energy: -321.895
where: short stacking energy: -118.085
Base-Backbone interact. energy: -0.981
local terms energy: -145.439370
where:
bonds (distance) C4'-P energy: -32.015
bonds (distance) P-C4' energy: -30.763
flat angles C4'-P-C4' energy: -30.873
flat angles P-C4'-P energy: -22.423
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: 8, replica: 4
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -352.711215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.711215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.711215 (E_RNA)
where:
Base-Base interactions energy: -234.104
where: short stacking energy: -112.446
Base-Backbone interact. energy: -0.266
local terms energy: -118.341102
where:
bonds (distance) C4'-P energy: -36.933
bonds (distance) P-C4' energy: -26.873
flat angles C4'-P-C4' energy: -24.727
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -17.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -396.226940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.226940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.226940 (E_RNA)
where:
Base-Base interactions energy: -260.931
where: short stacking energy: -109.311
Base-Backbone interact. energy: 1.125
local terms energy: -136.420399
where:
bonds (distance) C4'-P energy: -34.528
bonds (distance) P-C4' energy: -35.195
flat angles C4'-P-C4' energy: -35.033
flat angles P-C4'-P energy: -13.903
tors. eta vs tors. theta energy: -17.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -156.780194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.780194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.780194 (E_RNA)
where:
Base-Base interactions energy: -57.011
where: short stacking energy: -40.581
Base-Backbone interact. energy: -0.832
local terms energy: -98.937076
where:
bonds (distance) C4'-P energy: -27.555
bonds (distance) P-C4' energy: -35.482
flat angles C4'-P-C4' energy: -25.556
flat angles P-C4'-P energy: -19.874
tors. eta vs tors. theta energy: 9.531
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: 8
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -600.984756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.984756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.984756 (E_RNA)
where:
Base-Base interactions energy: -440.104
where: short stacking energy: -169.944
Base-Backbone interact. energy: -1.296
local terms energy: -159.584047
where:
bonds (distance) C4'-P energy: -29.347
bonds (distance) P-C4' energy: -33.189
flat angles C4'-P-C4' energy: -34.851
flat angles P-C4'-P energy: -19.174
tors. eta vs tors. theta energy: -43.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -603.258837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.258837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.258837 (E_RNA)
where:
Base-Base interactions energy: -431.251
where: short stacking energy: -195.220
Base-Backbone interact. energy: 2.315
local terms energy: -174.323335
where:
bonds (distance) C4'-P energy: -32.191
bonds (distance) P-C4' energy: -26.007
flat angles C4'-P-C4' energy: -34.008
flat angles P-C4'-P energy: -26.415
tors. eta vs tors. theta energy: -55.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -569.322029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.322029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.322029 (E_RNA)
where:
Base-Base interactions energy: -394.705
where: short stacking energy: -160.982
Base-Backbone interact. energy: -1.220
local terms energy: -173.396877
where:
bonds (distance) C4'-P energy: -26.089
bonds (distance) P-C4' energy: -36.469
flat angles C4'-P-C4' energy: -36.515
flat angles P-C4'-P energy: -27.264
tors. eta vs tors. theta energy: -47.061
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: 6
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -564.321939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.321939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.321939 (E_RNA)
where:
Base-Base interactions energy: -395.279
where: short stacking energy: -170.770
Base-Backbone interact. energy: -0.151
local terms energy: -168.891385
where:
bonds (distance) C4'-P energy: -31.706
bonds (distance) P-C4' energy: -30.851
flat angles C4'-P-C4' energy: -32.828
flat angles P-C4'-P energy: -23.894
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: 5, replica: 1
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -523.971245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.971245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.971245 (E_RNA)
where:
Base-Base interactions energy: -372.127
where: short stacking energy: -144.257
Base-Backbone interact. energy: -3.491
local terms energy: -148.352829
where:
bonds (distance) C4'-P energy: -28.460
bonds (distance) P-C4' energy: -28.103
flat angles C4'-P-C4' energy: -36.357
flat angles P-C4'-P energy: -17.044
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: 6, replica: 5
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -490.686443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.686443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.686443 (E_RNA)
where:
Base-Base interactions energy: -335.148
where: short stacking energy: -145.339
Base-Backbone interact. energy: -0.980
local terms energy: -154.558150
where:
bonds (distance) C4'-P energy: -27.538
bonds (distance) P-C4' energy: -33.763
flat angles C4'-P-C4' energy: -30.770
flat angles P-C4'-P energy: -26.310
tors. eta vs tors. theta energy: -36.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -464.266006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.266006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.266006 (E_RNA)
where:
Base-Base interactions energy: -320.332
where: short stacking energy: -137.094
Base-Backbone interact. energy: 0.043
local terms energy: -143.977853
where:
bonds (distance) C4'-P energy: -24.828
bonds (distance) P-C4' energy: -34.181
flat angles C4'-P-C4' energy: -30.441
flat angles P-C4'-P energy: -20.392
tors. eta vs tors. theta energy: -34.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -401.828073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.828073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.828073 (E_RNA)
where:
Base-Base interactions energy: -274.642
where: short stacking energy: -128.145
Base-Backbone interact. energy: -0.206
local terms energy: -126.980382
where:
bonds (distance) C4'-P energy: -25.420
bonds (distance) P-C4' energy: -20.631
flat angles C4'-P-C4' energy: -34.215
flat angles P-C4'-P energy: -18.025
tors. eta vs tors. theta energy: -28.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -339.703750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.703750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.703750 (E_RNA)
where:
Base-Base interactions energy: -228.909
where: short stacking energy: -105.817
Base-Backbone interact. energy: -1.819
local terms energy: -108.976165
where:
bonds (distance) C4'-P energy: -31.377
bonds (distance) P-C4' energy: -25.294
flat angles C4'-P-C4' energy: -20.602
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -18.671
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: 479
Temperature: 1.350000
Total energy: -151.893821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.893821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.893821 (E_RNA)
where:
Base-Base interactions energy: -67.292
where: short stacking energy: -42.087
Base-Backbone interact. energy: 1.601
local terms energy: -86.202540
where:
bonds (distance) C4'-P energy: -21.715
bonds (distance) P-C4' energy: -33.735
flat angles C4'-P-C4' energy: -27.406
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: 9.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -610.243859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.243859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.243859 (E_RNA)
where:
Base-Base interactions energy: -440.268
where: short stacking energy: -169.152
Base-Backbone interact. energy: -2.212
local terms energy: -167.764436
where:
bonds (distance) C4'-P energy: -32.645
bonds (distance) P-C4' energy: -33.828
flat angles C4'-P-C4' energy: -34.216
flat angles P-C4'-P energy: -23.896
tors. eta vs tors. theta energy: -43.179
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: 9
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -605.532354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.532354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.532354 (E_RNA)
where:
Base-Base interactions energy: -418.380
where: short stacking energy: -189.976
Base-Backbone interact. energy: -0.341
local terms energy: -186.811628
where:
bonds (distance) C4'-P energy: -35.420
bonds (distance) P-C4' energy: -37.174
flat angles C4'-P-C4' energy: -39.136
flat angles P-C4'-P energy: -22.756
tors. eta vs tors. theta energy: -52.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -596.237732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.237732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.237732 (E_RNA)
where:
Base-Base interactions energy: -414.533
where: short stacking energy: -183.816
Base-Backbone interact. energy: -1.697
local terms energy: -180.008243
where:
bonds (distance) C4'-P energy: -27.967
bonds (distance) P-C4' energy: -33.264
flat angles C4'-P-C4' energy: -36.234
flat angles P-C4'-P energy: -29.462
tors. eta vs tors. theta energy: -53.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -545.434973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.434973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.434973 (E_RNA)
where:
Base-Base interactions energy: -388.793
where: short stacking energy: -172.436
Base-Backbone interact. energy: -0.042
local terms energy: -156.599670
where:
bonds (distance) C4'-P energy: -29.074
bonds (distance) P-C4' energy: -32.795
flat angles C4'-P-C4' energy: -31.398
flat angles P-C4'-P energy: -18.165
tors. eta vs tors. theta energy: -45.167
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: 480
Temperature: 1.100000
Total energy: -508.171440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.171440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.171440 (E_RNA)
where:
Base-Base interactions energy: -363.465
where: short stacking energy: -151.708
Base-Backbone interact. energy: -0.268
local terms energy: -144.438973
where:
bonds (distance) C4'-P energy: -26.957
bonds (distance) P-C4' energy: -30.119
flat angles C4'-P-C4' energy: -28.263
flat angles P-C4'-P energy: -14.919
tors. eta vs tors. theta energy: -44.180
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: 5
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -477.148631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.148631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.148631 (E_RNA)
where:
Base-Base interactions energy: -321.389
where: short stacking energy: -135.635
Base-Backbone interact. energy: -0.349
local terms energy: -155.409917
where:
bonds (distance) C4'-P energy: -26.358
bonds (distance) P-C4' energy: -34.569
flat angles C4'-P-C4' energy: -33.958
flat angles P-C4'-P energy: -23.266
tors. eta vs tors. theta energy: -37.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -429.239521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.239521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.239521 (E_RNA)
where:
Base-Base interactions energy: -294.014
where: short stacking energy: -109.171
Base-Backbone interact. energy: -1.145
local terms energy: -134.080804
where:
bonds (distance) C4'-P energy: -19.497
bonds (distance) P-C4' energy: -30.215
flat angles C4'-P-C4' energy: -34.494
flat angles P-C4'-P energy: -26.525
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: 8, replica: 10
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -401.809643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.809643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.809643 (E_RNA)
where:
Base-Base interactions energy: -268.981
where: short stacking energy: -121.137
Base-Backbone interact. energy: -0.617
local terms energy: -132.212304
where:
bonds (distance) C4'-P energy: -26.333
bonds (distance) P-C4' energy: -36.419
flat angles C4'-P-C4' energy: -26.650
flat angles P-C4'-P energy: -16.480
tors. eta vs tors. theta energy: -26.330
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: 4
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -372.249207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.249207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.249207 (E_RNA)
where:
Base-Base interactions energy: -233.618
where: short stacking energy: -107.232
Base-Backbone interact. energy: 1.883
local terms energy: -140.514196
where:
bonds (distance) C4'-P energy: -31.192
bonds (distance) P-C4' energy: -31.141
flat angles C4'-P-C4' energy: -32.133
flat angles P-C4'-P energy: -22.159
tors. eta vs tors. theta energy: -23.888
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: 480
Temperature: 1.350000
Total energy: -165.672214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.672214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.672214 (E_RNA)
where:
Base-Base interactions energy: -57.752
where: short stacking energy: -51.401
Base-Backbone interact. energy: -0.733
local terms energy: -107.187732
where:
bonds (distance) C4'-P energy: -20.892
bonds (distance) P-C4' energy: -33.160
flat angles C4'-P-C4' energy: -23.221
flat angles P-C4'-P energy: -23.585
tors. eta vs tors. theta energy: -6.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -613.092585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.092585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.092585 (E_RNA)
where:
Base-Base interactions energy: -426.224
where: short stacking energy: -186.196
Base-Backbone interact. energy: -0.875
local terms energy: -185.994121
where:
bonds (distance) C4'-P energy: -31.741
bonds (distance) P-C4' energy: -33.692
flat angles C4'-P-C4' energy: -40.097
flat angles P-C4'-P energy: -30.049
tors. eta vs tors. theta energy: -50.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -592.367882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.367882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.367882 (E_RNA)
where:
Base-Base interactions energy: -407.981
where: short stacking energy: -188.095
Base-Backbone interact. energy: -0.005
local terms energy: -184.381528
where:
bonds (distance) C4'-P energy: -32.788
bonds (distance) P-C4' energy: -31.254
flat angles C4'-P-C4' energy: -39.450
flat angles P-C4'-P energy: -27.720
tors. eta vs tors. theta energy: -53.170
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: 481
Temperature: 1.000000
Total energy: -576.554913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.554913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.554913 (E_RNA)
where:
Base-Base interactions energy: -403.226
where: short stacking energy: -163.477
Base-Backbone interact. energy: -0.701
local terms energy: -172.627919
where:
bonds (distance) C4'-P energy: -28.058
bonds (distance) P-C4' energy: -32.982
flat angles C4'-P-C4' energy: -37.711
flat angles P-C4'-P energy: -27.486
tors. eta vs tors. theta energy: -46.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -536.740735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.740735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.740735 (E_RNA)
where:
Base-Base interactions energy: -369.439
where: short stacking energy: -165.061
Base-Backbone interact. energy: -1.558
local terms energy: -165.743682
where:
bonds (distance) C4'-P energy: -23.366
bonds (distance) P-C4' energy: -35.596
flat angles C4'-P-C4' energy: -38.689
flat angles P-C4'-P energy: -21.073
tors. eta vs tors. theta energy: -47.019
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: 1
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -520.526079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.526079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.526079 (E_RNA)
where:
Base-Base interactions energy: -368.057
where: short stacking energy: -153.824
Base-Backbone interact. energy: 1.274
local terms energy: -153.742592
where:
bonds (distance) C4'-P energy: -26.301
bonds (distance) P-C4' energy: -34.986
flat angles C4'-P-C4' energy: -27.344
flat angles P-C4'-P energy: -24.969
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: 6, replica: 7
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -467.730410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.730410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.730410 (E_RNA)
where:
Base-Base interactions energy: -321.151
where: short stacking energy: -128.233
Base-Backbone interact. energy: -0.492
local terms energy: -146.087372
where:
bonds (distance) C4'-P energy: -30.932
bonds (distance) P-C4' energy: -37.546
flat angles C4'-P-C4' energy: -31.395
flat angles P-C4'-P energy: -13.596
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: 5
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -420.702662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.702662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.702662 (E_RNA)
where:
Base-Base interactions energy: -282.916
where: short stacking energy: -126.518
Base-Backbone interact. energy: -0.949
local terms energy: -136.838353
where:
bonds (distance) C4'-P energy: -28.030
bonds (distance) P-C4' energy: -32.508
flat angles C4'-P-C4' energy: -30.255
flat angles P-C4'-P energy: -19.418
tors. eta vs tors. theta energy: -26.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -412.901434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.901434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.901434 (E_RNA)
where:
Base-Base interactions energy: -282.667
where: short stacking energy: -134.801
Base-Backbone interact. energy: -0.309
local terms energy: -129.925340
where:
bonds (distance) C4'-P energy: -24.645
bonds (distance) P-C4' energy: -24.270
flat angles C4'-P-C4' energy: -28.921
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -37.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -350.748629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.748629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.748629 (E_RNA)
where:
Base-Base interactions energy: -227.192
where: short stacking energy: -100.779
Base-Backbone interact. energy: 0.058
local terms energy: -123.614524
where:
bonds (distance) C4'-P energy: -27.680
bonds (distance) P-C4' energy: -29.893
flat angles C4'-P-C4' energy: -27.950
flat angles P-C4'-P energy: -21.456
tors. eta vs tors. theta energy: -16.635
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: 3
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -162.453568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.453568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.453568 (E_RNA)
where:
Base-Base interactions energy: -64.246
where: short stacking energy: -54.750
Base-Backbone interact. energy: -0.594
local terms energy: -97.614014
where:
bonds (distance) C4'-P energy: -28.452
bonds (distance) P-C4' energy: -29.495
flat angles C4'-P-C4' energy: -22.922
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -6.599
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: 1, replica: 9
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -604.065866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.065866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.065866 (E_RNA)
where:
Base-Base interactions energy: -411.543
where: short stacking energy: -189.486
Base-Backbone interact. energy: -0.228
local terms energy: -192.295433
where:
bonds (distance) C4'-P energy: -36.023
bonds (distance) P-C4' energy: -31.319
flat angles C4'-P-C4' energy: -42.923
flat angles P-C4'-P energy: -24.077
tors. eta vs tors. theta energy: -57.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -611.325576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.325576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.325576 (E_RNA)
where:
Base-Base interactions energy: -427.035
where: short stacking energy: -180.564
Base-Backbone interact. energy: -3.208
local terms energy: -181.083247
where:
bonds (distance) C4'-P energy: -37.837
bonds (distance) P-C4' energy: -31.807
flat angles C4'-P-C4' energy: -35.425
flat angles P-C4'-P energy: -25.152
tors. eta vs tors. theta energy: -50.862
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: 3, replica: 6
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -561.214778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.214778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.214778 (E_RNA)
where:
Base-Base interactions energy: -390.727
where: short stacking energy: -173.570
Base-Backbone interact. energy: -0.513
local terms energy: -169.975705
where:
bonds (distance) C4'-P energy: -32.529
bonds (distance) P-C4' energy: -34.003
flat angles C4'-P-C4' energy: -32.167
flat angles P-C4'-P energy: -23.945
tors. eta vs tors. theta energy: -47.332
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: 2
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -560.225748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.225748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.225748 (E_RNA)
where:
Base-Base interactions energy: -396.224
where: short stacking energy: -155.262
Base-Backbone interact. energy: -0.644
local terms energy: -163.358530
where:
bonds (distance) C4'-P energy: -32.112
bonds (distance) P-C4' energy: -27.495
flat angles C4'-P-C4' energy: -37.533
flat angles P-C4'-P energy: -20.423
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: 5, replica: 7
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -482.565972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.565972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.565972 (E_RNA)
where:
Base-Base interactions energy: -332.887
where: short stacking energy: -132.135
Base-Backbone interact. energy: -1.734
local terms energy: -147.945552
where:
bonds (distance) C4'-P energy: -36.972
bonds (distance) P-C4' energy: -25.920
flat angles C4'-P-C4' energy: -32.887
flat angles P-C4'-P energy: -25.175
tors. eta vs tors. theta energy: -26.991
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: 1
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -530.637125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.637125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.637125 (E_RNA)
where:
Base-Base interactions energy: -375.427
where: short stacking energy: -143.175
Base-Backbone interact. energy: -2.785
local terms energy: -152.424845
where:
bonds (distance) C4'-P energy: -23.792
bonds (distance) P-C4' energy: -35.744
flat angles C4'-P-C4' energy: -33.282
flat angles P-C4'-P energy: -29.206
tors. eta vs tors. theta energy: -30.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -457.045599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.045599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.045599 (E_RNA)
where:
Base-Base interactions energy: -314.154
where: short stacking energy: -128.863
Base-Backbone interact. energy: 1.285
local terms energy: -144.177234
where:
bonds (distance) C4'-P energy: -36.897
bonds (distance) P-C4' energy: -28.014
flat angles C4'-P-C4' energy: -31.414
flat angles P-C4'-P energy: -16.255
tors. eta vs tors. theta energy: -31.597
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: 5
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -419.843260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.843260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.843260 (E_RNA)
where:
Base-Base interactions energy: -282.109
where: short stacking energy: -124.233
Base-Backbone interact. energy: -0.447
local terms energy: -137.288167
where:
bonds (distance) C4'-P energy: -25.890
bonds (distance) P-C4' energy: -37.951
flat angles C4'-P-C4' energy: -31.543
flat angles P-C4'-P energy: -19.579
tors. eta vs tors. theta energy: -22.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -351.918527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.918527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.918527 (E_RNA)
where:
Base-Base interactions energy: -229.321
where: short stacking energy: -101.850
Base-Backbone interact. energy: -0.202
local terms energy: -122.395678
where:
bonds (distance) C4'-P energy: -25.207
bonds (distance) P-C4' energy: -26.105
flat angles C4'-P-C4' energy: -26.780
flat angles P-C4'-P energy: -20.491
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: 3
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -178.394143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.394143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.394143 (E_RNA)
where:
Base-Base interactions energy: -81.840
where: short stacking energy: -62.951
Base-Backbone interact. energy: 0.598
local terms energy: -97.152567
where:
bonds (distance) C4'-P energy: -22.740
bonds (distance) P-C4' energy: -29.568
flat angles C4'-P-C4' energy: -26.317
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -7.800
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: 9
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -610.036702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.036702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.036702 (E_RNA)
where:
Base-Base interactions energy: -417.803
where: short stacking energy: -186.067
Base-Backbone interact. energy: -1.109
local terms energy: -191.124208
where:
bonds (distance) C4'-P energy: -38.637
bonds (distance) P-C4' energy: -39.261
flat angles C4'-P-C4' energy: -35.744
flat angles P-C4'-P energy: -24.100
tors. eta vs tors. theta energy: -53.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -612.704786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.704786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.704786 (E_RNA)
where:
Base-Base interactions energy: -430.126
where: short stacking energy: -181.359
Base-Backbone interact. energy: -0.830
local terms energy: -181.748947
where:
bonds (distance) C4'-P energy: -32.762
bonds (distance) P-C4' energy: -37.984
flat angles C4'-P-C4' energy: -37.318
flat angles P-C4'-P energy: -25.833
tors. eta vs tors. theta energy: -47.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -561.419390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.419390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.419390 (E_RNA)
where:
Base-Base interactions energy: -392.205
where: short stacking energy: -177.038
Base-Backbone interact. energy: -0.671
local terms energy: -168.544194
where:
bonds (distance) C4'-P energy: -31.919
bonds (distance) P-C4' energy: -36.347
flat angles C4'-P-C4' energy: -34.939
flat angles P-C4'-P energy: -22.009
tors. eta vs tors. theta energy: -43.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -540.753925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.753925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.753925 (E_RNA)
where:
Base-Base interactions energy: -384.103
where: short stacking energy: -158.007
Base-Backbone interact. energy: -0.690
local terms energy: -155.960791
where:
bonds (distance) C4'-P energy: -24.158
bonds (distance) P-C4' energy: -32.159
flat angles C4'-P-C4' energy: -34.897
flat angles P-C4'-P energy: -29.136
tors. eta vs tors. theta energy: -35.611
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: 5, replica: 7
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -506.685045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.685045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.685045 (E_RNA)
where:
Base-Base interactions energy: -356.761
where: short stacking energy: -152.501
Base-Backbone interact. energy: -0.417
local terms energy: -149.507102
where:
bonds (distance) C4'-P energy: -21.942
bonds (distance) P-C4' energy: -28.536
flat angles C4'-P-C4' energy: -33.363
flat angles P-C4'-P energy: -27.014
tors. eta vs tors. theta energy: -38.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -514.883664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.883664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.883664 (E_RNA)
where:
Base-Base interactions energy: -359.926
where: short stacking energy: -143.965
Base-Backbone interact. energy: -3.487
local terms energy: -151.470103
where:
bonds (distance) C4'-P energy: -31.071
bonds (distance) P-C4' energy: -21.740
flat angles C4'-P-C4' energy: -32.034
flat angles P-C4'-P energy: -26.397
tors. eta vs tors. theta energy: -40.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -489.383167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.383167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.383167 (E_RNA)
where:
Base-Base interactions energy: -336.595
where: short stacking energy: -152.807
Base-Backbone interact. energy: -1.209
local terms energy: -151.578760
where:
bonds (distance) C4'-P energy: -29.212
bonds (distance) P-C4' energy: -26.396
flat angles C4'-P-C4' energy: -34.196
flat angles P-C4'-P energy: -21.777
tors. eta vs tors. theta energy: -39.997
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: 5
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -408.341114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.341114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.341114 (E_RNA)
where:
Base-Base interactions energy: -281.851
where: short stacking energy: -115.205
Base-Backbone interact. energy: 3.093
local terms energy: -129.583019
where:
bonds (distance) C4'-P energy: -32.505
bonds (distance) P-C4' energy: -21.686
flat angles C4'-P-C4' energy: -34.994
flat angles P-C4'-P energy: -20.024
tors. eta vs tors. theta energy: -20.375
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: 4
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -340.316496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.316496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.316496 (E_RNA)
where:
Base-Base interactions energy: -225.035
where: short stacking energy: -110.679
Base-Backbone interact. energy: 0.815
local terms energy: -116.097157
where:
bonds (distance) C4'-P energy: -30.242
bonds (distance) P-C4' energy: -24.667
flat angles C4'-P-C4' energy: -36.727
flat angles P-C4'-P energy: -3.140
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: 483
Temperature: 1.350000
Total energy: -200.152890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.152890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.152890 (E_RNA)
where:
Base-Base interactions energy: -109.729
where: short stacking energy: -61.404
Base-Backbone interact. energy: -0.894
local terms energy: -89.529320
where:
bonds (distance) C4'-P energy: -28.197
bonds (distance) P-C4' energy: -34.370
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -15.633
tors. eta vs tors. theta energy: 0.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -594.741467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.741467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.741467 (E_RNA)
where:
Base-Base interactions energy: -422.623
where: short stacking energy: -169.801
Base-Backbone interact. energy: -0.664
local terms energy: -171.454327
where:
bonds (distance) C4'-P energy: -32.131
bonds (distance) P-C4' energy: -32.416
flat angles C4'-P-C4' energy: -36.677
flat angles P-C4'-P energy: -24.382
tors. eta vs tors. theta energy: -45.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -593.912205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.912205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.912205 (E_RNA)
where:
Base-Base interactions energy: -406.977
where: short stacking energy: -184.459
Base-Backbone interact. energy: 0.240
local terms energy: -187.175426
where:
bonds (distance) C4'-P energy: -34.857
bonds (distance) P-C4' energy: -34.219
flat angles C4'-P-C4' energy: -37.731
flat angles P-C4'-P energy: -28.237
tors. eta vs tors. theta energy: -52.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -555.504272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.504272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.504272 (E_RNA)
where:
Base-Base interactions energy: -382.848
where: short stacking energy: -139.555
Base-Backbone interact. energy: -0.666
local terms energy: -171.990141
where:
bonds (distance) C4'-P energy: -32.457
bonds (distance) P-C4' energy: -33.371
flat angles C4'-P-C4' energy: -38.633
flat angles P-C4'-P energy: -28.908
tors. eta vs tors. theta energy: -38.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -536.027828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.027828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.027828 (E_RNA)
where:
Base-Base interactions energy: -378.454
where: short stacking energy: -162.961
Base-Backbone interact. energy: -0.221
local terms energy: -157.352671
where:
bonds (distance) C4'-P energy: -18.557
bonds (distance) P-C4' energy: -28.277
flat angles C4'-P-C4' energy: -34.341
flat angles P-C4'-P energy: -22.387
tors. eta vs tors. theta energy: -53.791
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: 1
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -547.458681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.458681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.458681 (E_RNA)
where:
Base-Base interactions energy: -384.616
where: short stacking energy: -155.943
Base-Backbone interact. energy: -0.557
local terms energy: -162.285746
where:
bonds (distance) C4'-P energy: -25.724
bonds (distance) P-C4' energy: -27.068
flat angles C4'-P-C4' energy: -35.333
flat angles P-C4'-P energy: -26.898
tors. eta vs tors. theta energy: -47.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -471.938957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.938957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.938957 (E_RNA)
where:
Base-Base interactions energy: -353.506
where: short stacking energy: -124.074
Base-Backbone interact. energy: -0.967
local terms energy: -117.465659
where:
bonds (distance) C4'-P energy: -22.325
bonds (distance) P-C4' energy: -25.622
flat angles C4'-P-C4' energy: -31.687
flat angles P-C4'-P energy: -20.453
tors. eta vs tors. theta energy: -17.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -441.102123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.102123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.102123 (E_RNA)
where:
Base-Base interactions energy: -290.680
where: short stacking energy: -130.888
Base-Backbone interact. energy: -0.685
local terms energy: -149.736912
where:
bonds (distance) C4'-P energy: -32.367
bonds (distance) P-C4' energy: -35.375
flat angles C4'-P-C4' energy: -28.795
flat angles P-C4'-P energy: -21.051
tors. eta vs tors. theta energy: -32.149
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: 5
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -405.692780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.692780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.692780 (E_RNA)
where:
Base-Base interactions energy: -263.542
where: short stacking energy: -123.003
Base-Backbone interact. energy: -0.751
local terms energy: -141.400555
where:
bonds (distance) C4'-P energy: -29.956
bonds (distance) P-C4' energy: -29.113
flat angles C4'-P-C4' energy: -34.066
flat angles P-C4'-P energy: -19.600
tors. eta vs tors. theta energy: -28.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -362.092299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.092299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.092299 (E_RNA)
where:
Base-Base interactions energy: -250.553
where: short stacking energy: -110.670
Base-Backbone interact. energy: -0.413
local terms energy: -111.125877
where:
bonds (distance) C4'-P energy: -34.641
bonds (distance) P-C4' energy: -28.618
flat angles C4'-P-C4' energy: -23.658
flat angles P-C4'-P energy: -13.912
tors. eta vs tors. theta energy: -10.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -233.006758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.006758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.006758 (E_RNA)
where:
Base-Base interactions energy: -133.893
where: short stacking energy: -84.750
Base-Backbone interact. energy: 0.138
local terms energy: -99.252642
where:
bonds (distance) C4'-P energy: -24.006
bonds (distance) P-C4' energy: -31.403
flat angles C4'-P-C4' energy: -23.578
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -10.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -606.750988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.750988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.750988 (E_RNA)
where:
Base-Base interactions energy: -428.548
where: short stacking energy: -179.969
Base-Backbone interact. energy: 1.405
local terms energy: -179.608121
where:
bonds (distance) C4'-P energy: -36.473
bonds (distance) P-C4' energy: -37.998
flat angles C4'-P-C4' energy: -33.796
flat angles P-C4'-P energy: -24.601
tors. eta vs tors. theta energy: -46.740
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: 485
Temperature: 0.950000
Total energy: -601.858033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.858033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.858033 (E_RNA)
where:
Base-Base interactions energy: -415.413
where: short stacking energy: -186.572
Base-Backbone interact. energy: -0.081
local terms energy: -186.363944
where:
bonds (distance) C4'-P energy: -32.287
bonds (distance) P-C4' energy: -40.093
flat angles C4'-P-C4' energy: -34.979
flat angles P-C4'-P energy: -25.623
tors. eta vs tors. theta energy: -53.382
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: 2
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -571.136341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.136341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.136341 (E_RNA)
where:
Base-Base interactions energy: -392.431
where: short stacking energy: -160.574
Base-Backbone interact. energy: 1.953
local terms energy: -180.658583
where:
bonds (distance) C4'-P energy: -31.998
bonds (distance) P-C4' energy: -35.778
flat angles C4'-P-C4' energy: -37.602
flat angles P-C4'-P energy: -32.462
tors. eta vs tors. theta energy: -42.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -572.458445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.458445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.458445 (E_RNA)
where:
Base-Base interactions energy: -401.515
where: short stacking energy: -162.592
Base-Backbone interact. energy: -2.925
local terms energy: -168.018238
where:
bonds (distance) C4'-P energy: -35.718
bonds (distance) P-C4' energy: -31.104
flat angles C4'-P-C4' energy: -37.474
flat angles P-C4'-P energy: -18.059
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: 5, replica: 6
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -511.171816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.171816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.171816 (E_RNA)
where:
Base-Base interactions energy: -360.458
where: short stacking energy: -157.601
Base-Backbone interact. energy: -0.543
local terms energy: -150.171084
where:
bonds (distance) C4'-P energy: -31.711
bonds (distance) P-C4' energy: -27.215
flat angles C4'-P-C4' energy: -30.544
flat angles P-C4'-P energy: -20.974
tors. eta vs tors. theta energy: -39.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -441.790999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.790999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.790999 (E_RNA)
where:
Base-Base interactions energy: -292.420
where: short stacking energy: -127.347
Base-Backbone interact. energy: -0.292
local terms energy: -149.079611
where:
bonds (distance) C4'-P energy: -24.488
bonds (distance) P-C4' energy: -30.797
flat angles C4'-P-C4' energy: -38.820
flat angles P-C4'-P energy: -26.514
tors. eta vs tors. theta energy: -28.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -442.452343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.452343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.452343 (E_RNA)
where:
Base-Base interactions energy: -310.871
where: short stacking energy: -112.680
Base-Backbone interact. energy: -0.686
local terms energy: -130.894840
where:
bonds (distance) C4'-P energy: -35.738
bonds (distance) P-C4' energy: -35.658
flat angles C4'-P-C4' energy: -24.974
flat angles P-C4'-P energy: -16.850
tors. eta vs tors. theta energy: -17.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -434.092866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.092866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.092866 (E_RNA)
where:
Base-Base interactions energy: -296.426
where: short stacking energy: -129.888
Base-Backbone interact. energy: -0.717
local terms energy: -136.949905
where:
bonds (distance) C4'-P energy: -29.800
bonds (distance) P-C4' energy: -29.522
flat angles C4'-P-C4' energy: -34.502
flat angles P-C4'-P energy: -16.433
tors. eta vs tors. theta energy: -26.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -386.956776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.956776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.956776 (E_RNA)
where:
Base-Base interactions energy: -260.077
where: short stacking energy: -130.842
Base-Backbone interact. energy: 1.167
local terms energy: -128.047501
where:
bonds (distance) C4'-P energy: -24.618
bonds (distance) P-C4' energy: -23.313
flat angles C4'-P-C4' energy: -35.368
flat angles P-C4'-P energy: -15.576
tors. eta vs tors. theta energy: -29.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -222.704056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.704056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.704056 (E_RNA)
where:
Base-Base interactions energy: -125.413
where: short stacking energy: -69.077
Base-Backbone interact. energy: 0.687
local terms energy: -97.977424
where:
bonds (distance) C4'-P energy: -23.014
bonds (distance) P-C4' energy: -35.181
flat angles C4'-P-C4' energy: -19.613
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -7.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -615.113788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.113788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.113788 (E_RNA)
where:
Base-Base interactions energy: -427.926
where: short stacking energy: -187.119
Base-Backbone interact. energy: -1.161
local terms energy: -186.027640
where:
bonds (distance) C4'-P energy: -35.279
bonds (distance) P-C4' energy: -34.050
flat angles C4'-P-C4' energy: -37.361
flat angles P-C4'-P energy: -28.302
tors. eta vs tors. theta energy: -51.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -611.133701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.133701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.133701 (E_RNA)
where:
Base-Base interactions energy: -417.532
where: short stacking energy: -186.448
Base-Backbone interact. energy: -0.055
local terms energy: -193.546448
where:
bonds (distance) C4'-P energy: -34.812
bonds (distance) P-C4' energy: -32.081
flat angles C4'-P-C4' energy: -40.367
flat angles P-C4'-P energy: -29.856
tors. eta vs tors. theta energy: -56.431
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: 486
Temperature: 1.000000
Total energy: -583.355302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.355302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.355302 (E_RNA)
where:
Base-Base interactions energy: -413.095
where: short stacking energy: -160.697
Base-Backbone interact. energy: -1.920
local terms energy: -168.340457
where:
bonds (distance) C4'-P energy: -31.935
bonds (distance) P-C4' energy: -34.372
flat angles C4'-P-C4' energy: -35.070
flat angles P-C4'-P energy: -21.977
tors. eta vs tors. theta energy: -44.987
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: 4, replica: 1
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -572.943117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.943117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.943117 (E_RNA)
where:
Base-Base interactions energy: -413.802
where: short stacking energy: -171.949
Base-Backbone interact. energy: -0.614
local terms energy: -158.526600
where:
bonds (distance) C4'-P energy: -28.785
bonds (distance) P-C4' energy: -29.326
flat angles C4'-P-C4' energy: -32.712
flat angles P-C4'-P energy: -21.917
tors. eta vs tors. theta energy: -45.787
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: 6
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -523.968076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.968076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.968076 (E_RNA)
where:
Base-Base interactions energy: -360.882
where: short stacking energy: -152.791
Base-Backbone interact. energy: -0.785
local terms energy: -162.301196
where:
bonds (distance) C4'-P energy: -30.985
bonds (distance) P-C4' energy: -33.813
flat angles C4'-P-C4' energy: -35.884
flat angles P-C4'-P energy: -19.774
tors. eta vs tors. theta energy: -41.845
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: 10
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -456.840240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.840240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.840240 (E_RNA)
where:
Base-Base interactions energy: -306.823
where: short stacking energy: -132.592
Base-Backbone interact. energy: -0.810
local terms energy: -149.207271
where:
bonds (distance) C4'-P energy: -32.067
bonds (distance) P-C4' energy: -31.439
flat angles C4'-P-C4' energy: -38.173
flat angles P-C4'-P energy: -20.106
tors. eta vs tors. theta energy: -27.423
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: 7, replica: 7
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -476.359504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.359504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.359504 (E_RNA)
where:
Base-Base interactions energy: -321.635
where: short stacking energy: -145.318
Base-Backbone interact. energy: -0.195
local terms energy: -154.529172
where:
bonds (distance) C4'-P energy: -28.459
bonds (distance) P-C4' energy: -33.795
flat angles C4'-P-C4' energy: -35.864
flat angles P-C4'-P energy: -21.616
tors. eta vs tors. theta energy: -34.795
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: 5
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -448.306063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.306063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.306063 (E_RNA)
where:
Base-Base interactions energy: -307.114
where: short stacking energy: -137.478
Base-Backbone interact. energy: 1.711
local terms energy: -142.903138
where:
bonds (distance) C4'-P energy: -32.139
bonds (distance) P-C4' energy: -24.635
flat angles C4'-P-C4' energy: -32.480
flat angles P-C4'-P energy: -16.214
tors. eta vs tors. theta energy: -37.436
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: 4
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -326.488073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.488073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.488073 (E_RNA)
where:
Base-Base interactions energy: -205.423
where: short stacking energy: -103.044
Base-Backbone interact. energy: -0.765
local terms energy: -120.300733
where:
bonds (distance) C4'-P energy: -33.124
bonds (distance) P-C4' energy: -32.760
flat angles C4'-P-C4' energy: -24.866
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -17.145
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: 3
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -227.297622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.297622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.297622 (E_RNA)
where:
Base-Base interactions energy: -104.425
where: short stacking energy: -51.743
Base-Backbone interact. energy: -1.388
local terms energy: -121.484126
where:
bonds (distance) C4'-P energy: -32.047
bonds (distance) P-C4' energy: -29.515
flat angles C4'-P-C4' energy: -34.773
flat angles P-C4'-P energy: -18.274
tors. eta vs tors. theta energy: -6.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -611.737115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.737115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.737115 (E_RNA)
where:
Base-Base interactions energy: -422.983
where: short stacking energy: -179.036
Base-Backbone interact. energy: 1.867
local terms energy: -190.621251
where:
bonds (distance) C4'-P energy: -38.865
bonds (distance) P-C4' energy: -30.498
flat angles C4'-P-C4' energy: -42.275
flat angles P-C4'-P energy: -30.407
tors. eta vs tors. theta energy: -48.577
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: 9
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -605.056230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.056230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.056230 (E_RNA)
where:
Base-Base interactions energy: -420.823
where: short stacking energy: -187.306
Base-Backbone interact. energy: -0.626
local terms energy: -183.607322
where:
bonds (distance) C4'-P energy: -25.652
bonds (distance) P-C4' energy: -35.182
flat angles C4'-P-C4' energy: -36.817
flat angles P-C4'-P energy: -26.583
tors. eta vs tors. theta energy: -59.374
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: 2
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -574.303107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.303107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.303107 (E_RNA)
where:
Base-Base interactions energy: -394.880
where: short stacking energy: -163.465
Base-Backbone interact. energy: -1.264
local terms energy: -178.158863
where:
bonds (distance) C4'-P energy: -33.931
bonds (distance) P-C4' energy: -35.861
flat angles C4'-P-C4' energy: -36.542
flat angles P-C4'-P energy: -26.581
tors. eta vs tors. theta energy: -45.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -565.225705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.225705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.225705 (E_RNA)
where:
Base-Base interactions energy: -401.961
where: short stacking energy: -168.259
Base-Backbone interact. energy: -1.595
local terms energy: -161.668936
where:
bonds (distance) C4'-P energy: -34.151
bonds (distance) P-C4' energy: -31.691
flat angles C4'-P-C4' energy: -34.957
flat angles P-C4'-P energy: -13.853
tors. eta vs tors. theta energy: -47.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -542.742443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.742443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.742443 (E_RNA)
where:
Base-Base interactions energy: -375.740
where: short stacking energy: -161.630
Base-Backbone interact. energy: -0.621
local terms energy: -166.381942
where:
bonds (distance) C4'-P energy: -34.384
bonds (distance) P-C4' energy: -27.027
flat angles C4'-P-C4' energy: -30.897
flat angles P-C4'-P energy: -25.711
tors. eta vs tors. theta energy: -48.363
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: 10
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -428.442940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.442940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.442940 (E_RNA)
where:
Base-Base interactions energy: -274.179
where: short stacking energy: -116.572
Base-Backbone interact. energy: -0.246
local terms energy: -154.017732
where:
bonds (distance) C4'-P energy: -31.726
bonds (distance) P-C4' energy: -34.063
flat angles C4'-P-C4' energy: -35.403
flat angles P-C4'-P energy: -23.848
tors. eta vs tors. theta energy: -28.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -461.479505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.479505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.479505 (E_RNA)
where:
Base-Base interactions energy: -301.701
where: short stacking energy: -137.193
Base-Backbone interact. energy: 0.924
local terms energy: -160.701699
where:
bonds (distance) C4'-P energy: -32.834
bonds (distance) P-C4' energy: -32.854
flat angles C4'-P-C4' energy: -28.345
flat angles P-C4'-P energy: -28.212
tors. eta vs tors. theta energy: -38.458
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: 5
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -455.204394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.204394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.204394 (E_RNA)
where:
Base-Base interactions energy: -309.011
where: short stacking energy: -130.352
Base-Backbone interact. energy: -1.975
local terms energy: -144.218844
where:
bonds (distance) C4'-P energy: -31.490
bonds (distance) P-C4' energy: -33.532
flat angles C4'-P-C4' energy: -29.238
flat angles P-C4'-P energy: -21.820
tors. eta vs tors. theta energy: -28.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -362.810851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.810851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.810851 (E_RNA)
where:
Base-Base interactions energy: -238.224
where: short stacking energy: -131.692
Base-Backbone interact. energy: 0.325
local terms energy: -124.912436
where:
bonds (distance) C4'-P energy: -23.880
bonds (distance) P-C4' energy: -24.687
flat angles C4'-P-C4' energy: -28.400
flat angles P-C4'-P energy: -13.296
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: 10, replica: 3
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -217.934755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.934755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.934755 (E_RNA)
where:
Base-Base interactions energy: -106.469
where: short stacking energy: -63.790
Base-Backbone interact. energy: -0.223
local terms energy: -111.242411
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -35.358
flat angles C4'-P-C4' energy: -34.233
flat angles P-C4'-P energy: -15.566
tors. eta vs tors. theta energy: -6.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -614.805359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.805359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.805359 (E_RNA)
where:
Base-Base interactions energy: -434.628
where: short stacking energy: -194.832
Base-Backbone interact. energy: -0.077
local terms energy: -180.100038
where:
bonds (distance) C4'-P energy: -31.081
bonds (distance) P-C4' energy: -34.751
flat angles C4'-P-C4' energy: -38.849
flat angles P-C4'-P energy: -24.266
tors. eta vs tors. theta energy: -51.153
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: 8
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -600.974573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.974573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.974573 (E_RNA)
where:
Base-Base interactions energy: -414.378
where: short stacking energy: -173.048
Base-Backbone interact. energy: -1.316
local terms energy: -185.280320
where:
bonds (distance) C4'-P energy: -30.402
bonds (distance) P-C4' energy: -36.050
flat angles C4'-P-C4' energy: -38.401
flat angles P-C4'-P energy: -27.032
tors. eta vs tors. theta energy: -53.395
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: 3, replica: 2
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -562.587335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.587335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.587335 (E_RNA)
where:
Base-Base interactions energy: -394.032
where: short stacking energy: -161.296
Base-Backbone interact. energy: -0.079
local terms energy: -168.475419
where:
bonds (distance) C4'-P energy: -30.786
bonds (distance) P-C4' energy: -27.809
flat angles C4'-P-C4' energy: -36.164
flat angles P-C4'-P energy: -29.094
tors. eta vs tors. theta energy: -44.622
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: 1
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -554.333751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.333751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.333751 (E_RNA)
where:
Base-Base interactions energy: -393.788
where: short stacking energy: -161.261
Base-Backbone interact. energy: -1.096
local terms energy: -159.449741
where:
bonds (distance) C4'-P energy: -30.432
bonds (distance) P-C4' energy: -27.311
flat angles C4'-P-C4' energy: -36.636
flat angles P-C4'-P energy: -21.540
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: 5, replica: 6
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -509.357262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.357262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.357262 (E_RNA)
where:
Base-Base interactions energy: -339.662
where: short stacking energy: -162.902
Base-Backbone interact. energy: -1.235
local terms energy: -168.460084
where:
bonds (distance) C4'-P energy: -27.755
bonds (distance) P-C4' energy: -38.308
flat angles C4'-P-C4' energy: -39.223
flat angles P-C4'-P energy: -21.165
tors. eta vs tors. theta energy: -42.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -454.541261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.541261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.541261 (E_RNA)
where:
Base-Base interactions energy: -315.591
where: short stacking energy: -141.833
Base-Backbone interact. energy: -0.251
local terms energy: -138.698409
where:
bonds (distance) C4'-P energy: -24.818
bonds (distance) P-C4' energy: -24.621
flat angles C4'-P-C4' energy: -29.009
flat angles P-C4'-P energy: -27.299
tors. eta vs tors. theta energy: -32.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -466.593211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.593211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.593211 (E_RNA)
where:
Base-Base interactions energy: -317.272
where: short stacking energy: -135.708
Base-Backbone interact. energy: -0.617
local terms energy: -148.704323
where:
bonds (distance) C4'-P energy: -31.261
bonds (distance) P-C4' energy: -27.710
flat angles C4'-P-C4' energy: -32.676
flat angles P-C4'-P energy: -24.310
tors. eta vs tors. theta energy: -32.747
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: 5
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -417.573651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.573651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.573651 (E_RNA)
where:
Base-Base interactions energy: -298.717
where: short stacking energy: -131.385
Base-Backbone interact. energy: 4.154
local terms energy: -123.010417
where:
bonds (distance) C4'-P energy: -22.897
bonds (distance) P-C4' energy: -29.046
flat angles C4'-P-C4' energy: -26.376
flat angles P-C4'-P energy: -18.376
tors. eta vs tors. theta energy: -26.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -350.053531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.053531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.053531 (E_RNA)
where:
Base-Base interactions energy: -222.367
where: short stacking energy: -92.820
Base-Backbone interact. energy: -0.364
local terms energy: -127.323103
where:
bonds (distance) C4'-P energy: -29.430
bonds (distance) P-C4' energy: -28.003
flat angles C4'-P-C4' energy: -22.776
flat angles P-C4'-P energy: -24.370
tors. eta vs tors. theta energy: -22.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -226.285303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.285303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.285303 (E_RNA)
where:
Base-Base interactions energy: -114.953
where: short stacking energy: -59.346
Base-Backbone interact. energy: -0.602
local terms energy: -110.729531
where:
bonds (distance) C4'-P energy: -30.085
bonds (distance) P-C4' energy: -31.706
flat angles C4'-P-C4' energy: -29.014
flat angles P-C4'-P energy: -16.356
tors. eta vs tors. theta energy: -3.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -599.336698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.336698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.336698 (E_RNA)
where:
Base-Base interactions energy: -409.741
where: short stacking energy: -177.302
Base-Backbone interact. energy: -0.027
local terms energy: -189.568236
where:
bonds (distance) C4'-P energy: -30.947
bonds (distance) P-C4' energy: -39.477
flat angles C4'-P-C4' energy: -39.261
flat angles P-C4'-P energy: -25.811
tors. eta vs tors. theta energy: -54.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -581.575018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.575018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.575018 (E_RNA)
where:
Base-Base interactions energy: -399.462
where: short stacking energy: -166.727
Base-Backbone interact. energy: -0.815
local terms energy: -181.298078
where:
bonds (distance) C4'-P energy: -35.319
bonds (distance) P-C4' energy: -34.717
flat angles C4'-P-C4' energy: -37.297
flat angles P-C4'-P energy: -27.159
tors. eta vs tors. theta energy: -46.806
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: 8
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -589.830440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.830440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.830440 (E_RNA)
where:
Base-Base interactions energy: -424.122
where: short stacking energy: -183.748
Base-Backbone interact. energy: -1.656
local terms energy: -164.053008
where:
bonds (distance) C4'-P energy: -33.735
bonds (distance) P-C4' energy: -23.545
flat angles C4'-P-C4' energy: -38.652
flat angles P-C4'-P energy: -22.207
tors. eta vs tors. theta energy: -45.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -564.424922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.424922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.424922 (E_RNA)
where:
Base-Base interactions energy: -380.930
where: short stacking energy: -163.273
Base-Backbone interact. energy: -2.243
local terms energy: -181.252854
where:
bonds (distance) C4'-P energy: -35.095
bonds (distance) P-C4' energy: -32.051
flat angles C4'-P-C4' energy: -44.603
flat angles P-C4'-P energy: -23.527
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: 5, replica: 6
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -523.841406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.841406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.841406 (E_RNA)
where:
Base-Base interactions energy: -374.057
where: short stacking energy: -154.338
Base-Backbone interact. energy: -0.185
local terms energy: -149.599944
where:
bonds (distance) C4'-P energy: -26.700
bonds (distance) P-C4' energy: -34.602
flat angles C4'-P-C4' energy: -29.582
flat angles P-C4'-P energy: -16.643
tors. eta vs tors. theta energy: -42.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -504.272192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.272192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.272192 (E_RNA)
where:
Base-Base interactions energy: -351.338
where: short stacking energy: -156.490
Base-Backbone interact. energy: -0.036
local terms energy: -152.898748
where:
bonds (distance) C4'-P energy: -32.318
bonds (distance) P-C4' energy: -28.519
flat angles C4'-P-C4' energy: -29.394
flat angles P-C4'-P energy: -23.981
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: 7, replica: 10
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -439.852365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.852365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.852365 (E_RNA)
where:
Base-Base interactions energy: -305.533
where: short stacking energy: -130.609
Base-Backbone interact. energy: -0.385
local terms energy: -133.934739
where:
bonds (distance) C4'-P energy: -28.131
bonds (distance) P-C4' energy: -34.373
flat angles C4'-P-C4' energy: -24.365
flat angles P-C4'-P energy: -18.836
tors. eta vs tors. theta energy: -28.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -362.152027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.152027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.152027 (E_RNA)
where:
Base-Base interactions energy: -235.869
where: short stacking energy: -108.101
Base-Backbone interact. energy: -0.681
local terms energy: -125.601655
where:
bonds (distance) C4'-P energy: -28.540
bonds (distance) P-C4' energy: -31.978
flat angles C4'-P-C4' energy: -25.388
flat angles P-C4'-P energy: -23.032
tors. eta vs tors. theta energy: -16.663
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: 5
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -383.627174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.627174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.627174 (E_RNA)
where:
Base-Base interactions energy: -261.003
where: short stacking energy: -95.859
Base-Backbone interact. energy: 0.223
local terms energy: -122.846729
where:
bonds (distance) C4'-P energy: -28.598
bonds (distance) P-C4' energy: -28.276
flat angles C4'-P-C4' energy: -32.140
flat angles P-C4'-P energy: -21.069
tors. eta vs tors. theta energy: -12.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -232.557958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.557958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.557958 (E_RNA)
where:
Base-Base interactions energy: -130.875
where: short stacking energy: -61.355
Base-Backbone interact. energy: -3.324
local terms energy: -98.359010
where:
bonds (distance) C4'-P energy: -27.812
bonds (distance) P-C4' energy: -37.132
flat angles C4'-P-C4' energy: -28.196
flat angles P-C4'-P energy: -0.087
tors. eta vs tors. theta energy: -5.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -608.193887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.193887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.193887 (E_RNA)
where:
Base-Base interactions energy: -416.888
where: short stacking energy: -191.884
Base-Backbone interact. energy: 0.617
local terms energy: -191.922957
where:
bonds (distance) C4'-P energy: -34.359
bonds (distance) P-C4' energy: -36.962
flat angles C4'-P-C4' energy: -38.422
flat angles P-C4'-P energy: -25.168
tors. eta vs tors. theta energy: -57.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -579.820212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.820212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.820212 (E_RNA)
where:
Base-Base interactions energy: -385.395
where: short stacking energy: -163.366
Base-Backbone interact. energy: -0.934
local terms energy: -193.491429
where:
bonds (distance) C4'-P energy: -33.445
bonds (distance) P-C4' energy: -37.966
flat angles C4'-P-C4' energy: -39.171
flat angles P-C4'-P energy: -35.640
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: 3, replica: 8
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -583.781324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.781324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.781324 (E_RNA)
where:
Base-Base interactions energy: -413.967
where: short stacking energy: -177.632
Base-Backbone interact. energy: -0.728
local terms energy: -169.086742
where:
bonds (distance) C4'-P energy: -34.129
bonds (distance) P-C4' energy: -30.112
flat angles C4'-P-C4' energy: -37.278
flat angles P-C4'-P energy: -19.978
tors. eta vs tors. theta energy: -47.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -555.435198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.435198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.435198 (E_RNA)
where:
Base-Base interactions energy: -399.179
where: short stacking energy: -164.265
Base-Backbone interact. energy: -1.160
local terms energy: -155.096384
where:
bonds (distance) C4'-P energy: -22.971
bonds (distance) P-C4' energy: -28.496
flat angles C4'-P-C4' energy: -31.496
flat angles P-C4'-P energy: -29.158
tors. eta vs tors. theta energy: -42.975
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: 6
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -530.084059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.084059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.084059 (E_RNA)
where:
Base-Base interactions energy: -363.852
where: short stacking energy: -153.063
Base-Backbone interact. energy: -0.755
local terms energy: -165.476816
where:
bonds (distance) C4'-P energy: -31.497
bonds (distance) P-C4' energy: -33.389
flat angles C4'-P-C4' energy: -34.211
flat angles P-C4'-P energy: -20.580
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: 6, replica: 7
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -502.213088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.213088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.213088 (E_RNA)
where:
Base-Base interactions energy: -331.687
where: short stacking energy: -160.606
Base-Backbone interact. energy: -1.865
local terms energy: -168.660885
where:
bonds (distance) C4'-P energy: -28.979
bonds (distance) P-C4' energy: -33.986
flat angles C4'-P-C4' energy: -30.815
flat angles P-C4'-P energy: -25.946
tors. eta vs tors. theta energy: -48.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -456.653377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.653377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.653377 (E_RNA)
where:
Base-Base interactions energy: -306.556
where: short stacking energy: -133.012
Base-Backbone interact. energy: -0.610
local terms energy: -149.487337
where:
bonds (distance) C4'-P energy: -37.314
bonds (distance) P-C4' energy: -34.824
flat angles C4'-P-C4' energy: -26.552
flat angles P-C4'-P energy: -17.964
tors. eta vs tors. theta energy: -32.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -383.759686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.759686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.759686 (E_RNA)
where:
Base-Base interactions energy: -250.242
where: short stacking energy: -96.812
Base-Backbone interact. energy: 3.131
local terms energy: -136.649184
where:
bonds (distance) C4'-P energy: -27.251
bonds (distance) P-C4' energy: -35.390
flat angles C4'-P-C4' energy: -28.074
flat angles P-C4'-P energy: -26.540
tors. eta vs tors. theta energy: -19.394
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: 5
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -341.256577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.256577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.256577 (E_RNA)
where:
Base-Base interactions energy: -217.148
where: short stacking energy: -101.650
Base-Backbone interact. energy: -0.514
local terms energy: -123.594289
where:
bonds (distance) C4'-P energy: -32.802
bonds (distance) P-C4' energy: -28.779
flat angles C4'-P-C4' energy: -29.559
flat angles P-C4'-P energy: -18.473
tors. eta vs tors. theta energy: -13.982
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: 490
Temperature: 1.350000
Total energy: -196.002586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.002586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.002586 (E_RNA)
where:
Base-Base interactions energy: -95.546
where: short stacking energy: -50.977
Base-Backbone interact. energy: -0.436
local terms energy: -100.020067
where:
bonds (distance) C4'-P energy: -31.546
bonds (distance) P-C4' energy: -33.316
flat angles C4'-P-C4' energy: -22.172
flat angles P-C4'-P energy: -19.266
tors. eta vs tors. theta energy: 6.280
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)
out arg RESULTS//1/silverloc-58ac6a7b_01
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -614.251008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.251008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.251008 (E_RNA)
where:
Base-Base interactions energy: -421.753
where: short stacking energy: -187.752
Base-Backbone interact. energy: -0.009
local terms energy: -192.488751
where:
bonds (distance) C4'-P energy: -29.338
bonds (distance) P-C4' energy: -36.175
flat angles C4'-P-C4' energy: -36.940
flat angles P-C4'-P energy: -31.983
tors. eta vs tors. theta energy: -58.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -609.869226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.869226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.869226 (E_RNA)
where:
Base-Base interactions energy: -415.284
where: short stacking energy: -180.410
Base-Backbone interact. energy: -1.379
local terms energy: -193.206395
where:
bonds (distance) C4'-P energy: -34.820
bonds (distance) P-C4' energy: -38.984
flat angles C4'-P-C4' energy: -41.649
flat angles P-C4'-P energy: -28.400
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: 491
Temperature: 1.000000
Total energy: -582.080511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.080511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.080511 (E_RNA)
where:
Base-Base interactions energy: -410.601
where: short stacking energy: -159.111
Base-Backbone interact. energy: -2.072
local terms energy: -169.408409
where:
bonds (distance) C4'-P energy: -34.667
bonds (distance) P-C4' energy: -31.808
flat angles C4'-P-C4' energy: -34.044
flat angles P-C4'-P energy: -26.480
tors. eta vs tors. theta energy: -42.409
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: 1
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -567.190913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.190913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.190913 (E_RNA)
where:
Base-Base interactions energy: -388.547
where: short stacking energy: -170.677
Base-Backbone interact. energy: -1.976
local terms energy: -176.667727
where:
bonds (distance) C4'-P energy: -38.729
bonds (distance) P-C4' energy: -35.306
flat angles C4'-P-C4' energy: -38.243
flat angles P-C4'-P energy: -19.533
tors. eta vs tors. theta energy: -44.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -510.460132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.460132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.460132 (E_RNA)
where:
Base-Base interactions energy: -361.235
where: short stacking energy: -153.080
Base-Backbone interact. energy: -0.764
local terms energy: -148.460633
where:
bonds (distance) C4'-P energy: -29.086
bonds (distance) P-C4' energy: -30.281
flat angles C4'-P-C4' energy: -26.551
flat angles P-C4'-P energy: -22.753
tors. eta vs tors. theta energy: -39.790
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: 7
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -503.519541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.519541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.519541 (E_RNA)
where:
Base-Base interactions energy: -343.268
where: short stacking energy: -146.850
Base-Backbone interact. energy: -1.374
local terms energy: -158.878197
where:
bonds (distance) C4'-P energy: -27.463
bonds (distance) P-C4' energy: -31.000
flat angles C4'-P-C4' energy: -31.013
flat angles P-C4'-P energy: -23.598
tors. eta vs tors. theta energy: -45.804
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: 10
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -448.041386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.041386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.041386 (E_RNA)
where:
Base-Base interactions energy: -303.280
where: short stacking energy: -134.742
Base-Backbone interact. energy: 1.362
local terms energy: -146.123339
where:
bonds (distance) C4'-P energy: -27.228
bonds (distance) P-C4' energy: -35.125
flat angles C4'-P-C4' energy: -31.354
flat angles P-C4'-P energy: -24.559
tors. eta vs tors. theta energy: -27.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -357.307233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.307233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.307233 (E_RNA)
where:
Base-Base interactions energy: -234.060
where: short stacking energy: -115.365
Base-Backbone interact. energy: -0.467
local terms energy: -122.779777
where:
bonds (distance) C4'-P energy: -25.774
bonds (distance) P-C4' energy: -26.757
flat angles C4'-P-C4' energy: -24.240
flat angles P-C4'-P energy: -20.273
tors. eta vs tors. theta energy: -25.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -361.063763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.063763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.063763 (E_RNA)
where:
Base-Base interactions energy: -235.583
where: short stacking energy: -97.572
Base-Backbone interact. energy: -0.056
local terms energy: -125.424773
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -33.287
flat angles C4'-P-C4' energy: -35.746
flat angles P-C4'-P energy: -20.331
tors. eta vs tors. theta energy: -22.914
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: 10, replica: 3
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -219.357679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.357679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.357679 (E_RNA)
where:
Base-Base interactions energy: -124.297
where: short stacking energy: -61.699
Base-Backbone interact. energy: -1.303
local terms energy: -93.757887
where:
bonds (distance) C4'-P energy: -26.353
bonds (distance) P-C4' energy: -33.286
flat angles C4'-P-C4' energy: -19.717
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -2.029
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)